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[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000576289443 365553823 /nfs/dbraw/zinc/55/38/23/365553823.db2.gz DRECFKWBWXSOOU-UPJWGTAASA-N 2 1 242.363 0.622 20 30 BCEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000576289443 365553824 /nfs/dbraw/zinc/55/38/24/365553824.db2.gz DRECFKWBWXSOOU-UPJWGTAASA-N 2 1 242.363 0.622 20 30 BCEDMP C=CC[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000336766552 136221038 /nfs/dbraw/zinc/22/10/38/136221038.db2.gz RQWXYBIGQLNUFM-LBPRGKRZSA-N 2 1 212.337 0.997 20 30 BCEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602610731 349634828 /nfs/dbraw/zinc/63/48/28/349634828.db2.gz JCBUNWXJXSICRX-WXRRBKDZSA-N 2 1 237.347 0.725 20 30 BCEDMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602610731 349634829 /nfs/dbraw/zinc/63/48/29/349634829.db2.gz JCBUNWXJXSICRX-WXRRBKDZSA-N 2 1 237.347 0.725 20 30 BCEDMP C=CCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000070593307 343333786 /nfs/dbraw/zinc/33/37/86/343333786.db2.gz LMWWWKSRONCKPA-UHFFFAOYSA-N 2 1 211.353 0.790 20 30 BCEDMP C#C[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000187047220 347248146 /nfs/dbraw/zinc/24/81/46/347248146.db2.gz IDZXVIBLFATDAW-WDEREUQCSA-N 2 1 222.336 0.397 20 30 BCEDMP N#Cc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000595897413 348393934 /nfs/dbraw/zinc/39/39/34/348393934.db2.gz XUXIHEYSQLEFLM-UHFFFAOYSA-N 2 1 245.326 0.762 20 30 BCEDMP C=CCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336719240 350469032 /nfs/dbraw/zinc/46/90/32/350469032.db2.gz ZBHBLOHJSNWJHL-GFCCVEGCSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336719240 350469033 /nfs/dbraw/zinc/46/90/33/350469033.db2.gz ZBHBLOHJSNWJHL-GFCCVEGCSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336719240 350469035 /nfs/dbraw/zinc/46/90/35/350469035.db2.gz ZBHBLOHJSNWJHL-GFCCVEGCSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336719240 350469038 /nfs/dbraw/zinc/46/90/38/350469038.db2.gz ZBHBLOHJSNWJHL-GFCCVEGCSA-N 2 1 212.337 0.949 20 30 BCEDMP CC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000279936038 351829846 /nfs/dbraw/zinc/82/98/46/351829846.db2.gz GOLOUDWROZPUDH-LLVKDONJSA-N 2 1 224.352 0.951 20 30 BCEDMP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000279936038 351829848 /nfs/dbraw/zinc/82/98/48/351829848.db2.gz GOLOUDWROZPUDH-LLVKDONJSA-N 2 1 224.352 0.951 20 30 BCEDMP CC#CC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129343469 353313777 /nfs/dbraw/zinc/31/37/77/353313777.db2.gz JLJVQEJBVZRUHH-ZDUSSCGKSA-N 2 1 222.332 0.664 20 30 BCEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000346102575 354865908 /nfs/dbraw/zinc/86/59/08/354865908.db2.gz ONUFDTAQQFPMOP-NSHDSACASA-N 2 1 239.363 0.880 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000420309972 192211227 /nfs/dbraw/zinc/21/12/27/192211227.db2.gz PFGZGZHMRMANRS-LOWDOPEQSA-N 2 1 249.358 0.442 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000420321467 192227496 /nfs/dbraw/zinc/22/74/96/192227496.db2.gz VHEGFPOMABMFNK-UPJWGTAASA-N 2 1 249.358 0.315 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000420321467 192227498 /nfs/dbraw/zinc/22/74/98/192227498.db2.gz VHEGFPOMABMFNK-UPJWGTAASA-N 2 1 249.358 0.315 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167662278 134153646 /nfs/dbraw/zinc/15/36/46/134153646.db2.gz JPOWAACFWGUEQC-QWRGUYRKSA-N 2 1 225.336 0.205 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167662278 134153647 /nfs/dbraw/zinc/15/36/47/134153647.db2.gz JPOWAACFWGUEQC-QWRGUYRKSA-N 2 1 225.336 0.205 20 30 BCEDMP C#CCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000362639478 134213550 /nfs/dbraw/zinc/21/35/50/134213550.db2.gz KSJRPIWLRWRJOD-ZDUSSCGKSA-N 2 1 235.375 0.720 20 30 BCEDMP C#CCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362639478 134213551 /nfs/dbraw/zinc/21/35/51/134213551.db2.gz KSJRPIWLRWRJOD-ZDUSSCGKSA-N 2 1 235.375 0.720 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000133644354 325306382 /nfs/dbraw/zinc/30/63/82/325306382.db2.gz DQSFSSMYKKWQIA-IJLUTSLNSA-N 2 1 239.363 0.607 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000133644354 325306385 /nfs/dbraw/zinc/30/63/85/325306385.db2.gz DQSFSSMYKKWQIA-IJLUTSLNSA-N 2 1 239.363 0.607 20 30 BCEDMP C=CCn1cc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000424368837 200923117 /nfs/dbraw/zinc/92/31/17/200923117.db2.gz BWOMFEJVQUOGLQ-PWSUYJOCSA-N 2 1 235.335 0.681 20 30 BCEDMP C=CCNC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435631090 201278661 /nfs/dbraw/zinc/27/86/61/201278661.db2.gz ZURBHXPMLZXYKW-GFCCVEGCSA-N 2 1 239.363 0.753 20 30 BCEDMP C=CCNC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435631090 201278663 /nfs/dbraw/zinc/27/86/63/201278663.db2.gz ZURBHXPMLZXYKW-GFCCVEGCSA-N 2 1 239.363 0.753 20 30 BCEDMP C=CCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000134919677 364419338 /nfs/dbraw/zinc/41/93/38/364419338.db2.gz MSYBUCUGMLHUSQ-GHMZBOCLSA-N 2 1 200.326 0.853 20 30 BCEDMP C#CCCNC(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261955250 533045122 /nfs/dbraw/zinc/04/51/22/533045122.db2.gz IOPJKVJVSNHNLP-WCQYABFASA-N 2 1 248.374 0.657 20 30 BCEDMP C[C@H]1C[N@@H+](CCCNCCC#N)CCCO1 ZINC000517926297 384574361 /nfs/dbraw/zinc/57/43/61/384574361.db2.gz NQSOFHLOWYEWJB-LBPRGKRZSA-N 2 1 225.336 0.991 20 30 BCEDMP C#CCNC(NCCn1cc[nH+]c1C)=[NH+]CC ZINC000262617521 533142069 /nfs/dbraw/zinc/14/20/69/533142069.db2.gz MRKDLPYGBMAVQP-UHFFFAOYSA-N 2 1 233.319 0.380 20 30 BCEDMP C#CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374423535 533158637 /nfs/dbraw/zinc/15/86/37/533158637.db2.gz WJIBRNCPLHPQJH-YNEHKIRRSA-N 2 1 222.332 0.803 20 30 BCEDMP C#CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374423535 533158640 /nfs/dbraw/zinc/15/86/40/533158640.db2.gz WJIBRNCPLHPQJH-YNEHKIRRSA-N 2 1 222.332 0.803 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000392759346 387281488 /nfs/dbraw/zinc/28/14/88/387281488.db2.gz KAQUEXZTZLNOAW-CHWSQXEVSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000392759346 387281493 /nfs/dbraw/zinc/28/14/93/387281493.db2.gz KAQUEXZTZLNOAW-CHWSQXEVSA-N 2 1 224.348 0.956 20 30 BCEDMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000424156213 387821557 /nfs/dbraw/zinc/82/15/57/387821557.db2.gz OCAINOLQQPYEIU-NSHDSACASA-N 2 1 238.335 0.218 20 30 BCEDMP C=CCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193631799 387859229 /nfs/dbraw/zinc/85/92/29/387859229.db2.gz HWGZLOJENOTKDB-XQQFMLRXSA-N 2 1 224.348 0.807 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]CC1(O)CCC1 ZINC000491537753 388302675 /nfs/dbraw/zinc/30/26/75/388302675.db2.gz SYUWDRHILCYPHN-UHFFFAOYSA-N 2 1 210.321 0.446 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(O)CCC1 ZINC000491537753 388302676 /nfs/dbraw/zinc/30/26/76/388302676.db2.gz SYUWDRHILCYPHN-UHFFFAOYSA-N 2 1 210.321 0.446 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C=O)CC1 ZINC000491072713 388267762 /nfs/dbraw/zinc/26/77/62/388267762.db2.gz VDTIJNZLHYBTMK-UHFFFAOYSA-N 2 1 237.347 0.152 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C=O)CC1 ZINC000491072713 388267763 /nfs/dbraw/zinc/26/77/63/388267763.db2.gz VDTIJNZLHYBTMK-UHFFFAOYSA-N 2 1 237.347 0.152 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000347348241 388521540 /nfs/dbraw/zinc/52/15/40/388521540.db2.gz UDLCGQUQQUSQQB-RYUDHWBXSA-N 2 1 237.347 0.505 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000347348241 388521541 /nfs/dbraw/zinc/52/15/41/388521541.db2.gz UDLCGQUQQUSQQB-RYUDHWBXSA-N 2 1 237.347 0.505 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000347348242 388523258 /nfs/dbraw/zinc/52/32/58/388523258.db2.gz UDLCGQUQQUSQQB-VXGBXAGGSA-N 2 1 237.347 0.505 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347348242 388523261 /nfs/dbraw/zinc/52/32/61/388523261.db2.gz UDLCGQUQQUSQQB-VXGBXAGGSA-N 2 1 237.347 0.505 20 30 BCEDMP Cc1[nH+]ccn1CC[NH+]=C(N(C)C)N(C)C ZINC000261976859 135113440 /nfs/dbraw/zinc/11/34/40/135113440.db2.gz GGTNPLHVPRTGHD-UHFFFAOYSA-N 2 1 223.324 0.671 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1 ZINC000262488125 135119047 /nfs/dbraw/zinc/11/90/47/135119047.db2.gz TYEXVBQCPVEDLT-NSHDSACASA-N 2 1 242.392 0.514 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000263193267 135125075 /nfs/dbraw/zinc/12/50/75/135125075.db2.gz ZDPIMMOBDWQDMZ-UHFFFAOYSA-N 2 1 222.336 0.729 20 30 BCEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000264067175 135130979 /nfs/dbraw/zinc/13/09/79/135130979.db2.gz BRYWXEUAQZYYHT-SNVBAGLBSA-N 2 1 210.325 0.419 20 30 BCEDMP CNC(NCCCn1cc[nH+]c1C)=[NH+]C ZINC000264063793 135131346 /nfs/dbraw/zinc/13/13/46/135131346.db2.gz AIMCZGXEVOIQAP-UHFFFAOYSA-N 2 1 209.297 0.376 20 30 BCEDMP CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264082247 135131605 /nfs/dbraw/zinc/13/16/05/135131605.db2.gz HRQBXISYRHEVHE-LLVKDONJSA-N 2 1 246.358 0.967 20 30 BCEDMP CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264082247 135131608 /nfs/dbraw/zinc/13/16/08/135131608.db2.gz HRQBXISYRHEVHE-LLVKDONJSA-N 2 1 246.358 0.967 20 30 BCEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])NC1CC1 ZINC000264121747 135134509 /nfs/dbraw/zinc/13/45/09/135134509.db2.gz VGRSMBOHQIEITP-UHFFFAOYSA-N 2 1 221.308 0.648 20 30 BCEDMP CC[N@H+]1CC[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000261534326 135166748 /nfs/dbraw/zinc/16/67/48/135166748.db2.gz MALDPCGPYMGPGY-VHSXEESVSA-N 2 1 210.325 0.266 20 30 BCEDMP CC[N@H+](CCNC1=[NH+]C[C@H](C)N1)C1CC1 ZINC000261537634 135175133 /nfs/dbraw/zinc/17/51/33/135175133.db2.gz VWRMSKWYKSOKRH-VIFPVBQESA-N 2 1 210.325 0.408 20 30 BCEDMP CC[N@@H+](CCNC1=[NH+]C[C@H](C)N1)C1CC1 ZINC000261537634 135175134 /nfs/dbraw/zinc/17/51/34/135175134.db2.gz VWRMSKWYKSOKRH-VIFPVBQESA-N 2 1 210.325 0.408 20 30 BCEDMP C[C@@H]1C[NH+]=C(NCC[N@@H+](C)C2CCCC2)N1 ZINC000261581397 135222198 /nfs/dbraw/zinc/22/21/98/135222198.db2.gz NOFIEKSRNFRTDY-SNVBAGLBSA-N 2 1 224.352 0.798 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122353385 135227520 /nfs/dbraw/zinc/22/75/20/135227520.db2.gz VFVASVZQLOTKPM-DCAQKATOSA-N 2 1 225.336 0.346 20 30 BCEDMP CNC(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261653238 135242789 /nfs/dbraw/zinc/24/27/89/135242789.db2.gz AFHFAXXWHGFNQG-PSASIEDQSA-N 2 1 210.325 0.264 20 30 BCEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000261723779 135248188 /nfs/dbraw/zinc/24/81/88/135248188.db2.gz GFGWYWFSBPROCX-WDEREUQCSA-N 2 1 240.351 0.021 20 30 BCEDMP CC[N@H+]1CCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262286407 135290837 /nfs/dbraw/zinc/29/08/37/135290837.db2.gz MKELOXOSNAOAFO-NSHDSACASA-N 2 1 226.368 0.950 20 30 BCEDMP [NH2+]=C(NCC1CCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262439537 135299893 /nfs/dbraw/zinc/29/98/93/135299893.db2.gz AFXOJQTZLVLSKC-NSHDSACASA-N 2 1 247.346 0.902 20 30 BCEDMP C[NH+](C)[C@]1(CNC(=[NH2+])NC2CC2)CCSC1 ZINC000262498087 135302524 /nfs/dbraw/zinc/30/25/24/135302524.db2.gz XFZRVHNGLWHFNE-NSHDSACASA-N 2 1 242.392 0.490 20 30 BCEDMP C[C@H]1C[NH+]=C(NCC[N@H+]2CCC[C@@H](C)C2)N1 ZINC000262646799 135311066 /nfs/dbraw/zinc/31/10/66/135311066.db2.gz JJYXLNXFMYDCHL-MNOVXSKESA-N 2 1 224.352 0.656 20 30 BCEDMP C[NH+]=C(NC1CC1)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000262737615 135316521 /nfs/dbraw/zinc/31/65/21/135316521.db2.gz CXNVYFVVPHLSIZ-NSHDSACASA-N 2 1 240.351 0.035 20 30 BCEDMP C[NH+]=C(NC1CC1)N[C@H]1CC[N@H+](CCOC)C1 ZINC000262737615 135316523 /nfs/dbraw/zinc/31/65/23/135316523.db2.gz CXNVYFVVPHLSIZ-NSHDSACASA-N 2 1 240.351 0.035 20 30 BCEDMP CCCNC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000279917912 135368696 /nfs/dbraw/zinc/36/86/96/135368696.db2.gz DZKYLIRNWUGEMS-UHFFFAOYSA-N 2 1 210.325 0.563 20 30 BCEDMP CCCNC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000279917912 135368697 /nfs/dbraw/zinc/36/86/97/135368697.db2.gz DZKYLIRNWUGEMS-UHFFFAOYSA-N 2 1 210.325 0.563 20 30 BCEDMP CC#CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334367680 135374807 /nfs/dbraw/zinc/37/48/07/135374807.db2.gz RJLZCODQLNMFPT-HUUCEWRRSA-N 2 1 249.402 0.968 20 30 BCEDMP CC#CC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363466970 398120080 /nfs/dbraw/zinc/12/00/80/398120080.db2.gz IJHIBLQRKGBSIO-OAHLLOKOSA-N 2 1 249.402 0.969 20 30 BCEDMP C=CCN1CCN(c2[nH+]ccn2C)CC1 ZINC000269698103 166356855 /nfs/dbraw/zinc/35/68/55/166356855.db2.gz KRHYWXPKYMKZPI-UHFFFAOYSA-N 2 1 206.293 0.728 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404313311 411390895 /nfs/dbraw/zinc/39/08/95/411390895.db2.gz XZQGAAHGXCXFFE-RYUDHWBXSA-N 2 1 239.363 0.738 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404313311 411390898 /nfs/dbraw/zinc/39/08/98/411390898.db2.gz XZQGAAHGXCXFFE-RYUDHWBXSA-N 2 1 239.363 0.738 20 30 BCEDMP C=CC[C@@]1(C(=O)NCC(F)(F)C[NH3+])CCC[NH2+]1 ZINC000662767074 412295888 /nfs/dbraw/zinc/29/58/88/412295888.db2.gz RKOVENCWRVGZTP-JTQLQIEISA-N 2 1 247.289 0.395 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]([NH3+])C[C@H]2C)C1=O ZINC000563349502 323119987 /nfs/dbraw/zinc/11/99/87/323119987.db2.gz RTGZPOZMNVVLQC-UTUOFQBUSA-N 2 1 237.347 0.585 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)C1=O ZINC000563349502 323119988 /nfs/dbraw/zinc/11/99/88/323119988.db2.gz RTGZPOZMNVVLQC-UTUOFQBUSA-N 2 1 237.347 0.585 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NC(C)(C)C ZINC000328243040 324305540 /nfs/dbraw/zinc/30/55/40/324305540.db2.gz HQRXVGCFNCXSRT-UHFFFAOYSA-N 2 1 224.352 0.854 20 30 BCEDMP CC[NH+](CC)CCOCC[NH2+]CCC#N ZINC000567711917 326249739 /nfs/dbraw/zinc/24/97/39/326249739.db2.gz VHCFZTRZAAGDON-UHFFFAOYSA-N 2 1 213.325 0.848 20 30 BCEDMP C=CC[C@H](CO)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000568391930 326353614 /nfs/dbraw/zinc/35/36/14/326353614.db2.gz VQSDSMRSLPJUPU-AAEUAGOBSA-N 2 1 242.363 0.216 20 30 BCEDMP C=CC[C@H](CO)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000568391930 326353615 /nfs/dbraw/zinc/35/36/15/326353615.db2.gz VQSDSMRSLPJUPU-AAEUAGOBSA-N 2 1 242.363 0.216 20 30 BCEDMP C=CC[C@@H](CO)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000568391933 326353683 /nfs/dbraw/zinc/35/36/83/326353683.db2.gz VQSDSMRSLPJUPU-YPMHNXCESA-N 2 1 242.363 0.216 20 30 BCEDMP C=CC[C@@H](CO)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000568391933 326353685 /nfs/dbraw/zinc/35/36/85/326353685.db2.gz VQSDSMRSLPJUPU-YPMHNXCESA-N 2 1 242.363 0.216 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000066244975 534519845 /nfs/dbraw/zinc/51/98/45/534519845.db2.gz BKDLORPQHWCVHF-JTQLQIEISA-N 2 1 210.325 0.561 20 30 BCEDMP CCC[N@H+]1CC[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262676448 534949159 /nfs/dbraw/zinc/94/91/59/534949159.db2.gz UBIDUZKDUJTUPI-WDEREUQCSA-N 2 1 224.352 0.656 20 30 BCEDMP CC(C)NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000262474219 535126092 /nfs/dbraw/zinc/12/60/92/535126092.db2.gz OYEJKJCTFCVVLV-VIFPVBQESA-N 2 1 221.308 0.511 20 30 BCEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)NC1CC1 ZINC000263254678 535261624 /nfs/dbraw/zinc/26/16/24/535261624.db2.gz QCLNFYXATCALRW-UHFFFAOYSA-N 2 1 235.335 0.909 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000261531923 535542275 /nfs/dbraw/zinc/54/22/75/535542275.db2.gz IKINYZBCOZMAIR-VHSXEESVSA-N 2 1 210.325 0.408 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CC12CC2 ZINC000263066219 535548889 /nfs/dbraw/zinc/54/88/89/535548889.db2.gz OEKPPOGDSNGSLO-MNOVXSKESA-N 2 1 236.363 0.928 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262286404 535556150 /nfs/dbraw/zinc/55/61/50/535556150.db2.gz MKELOXOSNAOAFO-LLVKDONJSA-N 2 1 226.368 0.950 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000262524935 535596519 /nfs/dbraw/zinc/59/65/19/535596519.db2.gz KLBYYAMUJMDQJQ-NSHDSACASA-N 2 1 224.352 0.928 20 30 BCEDMP C#CCNC(=O)CC[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899911833 584253511 /nfs/dbraw/zinc/25/35/11/584253511.db2.gz ZOKUOSKXTRINFT-UHFFFAOYSA-N 2 1 249.358 0.296 20 30 BCEDMP C=CC[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903747244 584795077 /nfs/dbraw/zinc/79/50/77/584795077.db2.gz QKZZBXTUHCQFDV-NWDGAFQWSA-N 2 1 210.321 0.873 20 30 BCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000732061996 584933572 /nfs/dbraw/zinc/93/35/72/584933572.db2.gz NKXKASBGMXZIAE-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000732061996 584933573 /nfs/dbraw/zinc/93/35/73/584933573.db2.gz NKXKASBGMXZIAE-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C)C1 ZINC000732061996 584933574 /nfs/dbraw/zinc/93/35/74/584933574.db2.gz NKXKASBGMXZIAE-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C)C1 ZINC000732061996 584933575 /nfs/dbraw/zinc/93/35/75/584933575.db2.gz NKXKASBGMXZIAE-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000838936766 585081606 /nfs/dbraw/zinc/08/16/06/585081606.db2.gz OBQXLFSTAIAZRY-QWHCGFSZSA-N 2 1 233.315 0.733 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000764576571 585468074 /nfs/dbraw/zinc/46/80/74/585468074.db2.gz RXWBJKGRPPZUFE-GFCCVEGCSA-N 2 1 239.363 0.657 20 30 BCEDMP C#C[C@@H]([NH2+]CCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000775789920 585685021 /nfs/dbraw/zinc/68/50/21/585685021.db2.gz FEUCRPMKTKNIOZ-OLZOCXBDSA-N 2 1 233.315 0.962 20 30 BCEDMP C[C@@H]1CNC(NN=C2C[N@@H+](C3CC3)C[C@@H]2C)=[NH+]1 ZINC000779786483 585763228 /nfs/dbraw/zinc/76/32/28/585763228.db2.gz RFOOVOGDFKWONB-DTWKUNHWSA-N 2 1 235.335 0.394 20 30 BCEDMP C[C@@H]1CNC(NN=C2C[N@H+](C3CC3)C[C@@H]2C)=[NH+]1 ZINC000779786483 585763229 /nfs/dbraw/zinc/76/32/29/585763229.db2.gz RFOOVOGDFKWONB-DTWKUNHWSA-N 2 1 235.335 0.394 20 30 BCEDMP C[C@H]1CNC(NN=C2CC[N@H+]3CCC[C@@H]23)=[NH+]1 ZINC000779792205 585763758 /nfs/dbraw/zinc/76/37/58/585763758.db2.gz QAFVCJHFEOQNBY-WPRPVWTQSA-N 2 1 221.308 0.148 20 30 BCEDMP C#CC(C)(C)[N@H+](C)C[C@H](O)CN1CCCC1 ZINC000794579276 586044960 /nfs/dbraw/zinc/04/49/60/586044960.db2.gz YMFAKBYGNIVVPF-LBPRGKRZSA-N 2 1 224.348 0.787 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000817676013 586817707 /nfs/dbraw/zinc/81/77/07/586817707.db2.gz BKWRHMQGANECCK-GFCCVEGCSA-N 2 1 239.363 0.657 20 30 BCEDMP CCNC(NCC[N@H+]1CC[C@H](C)C1)=[NH+]CC ZINC000849004167 588431736 /nfs/dbraw/zinc/43/17/36/588431736.db2.gz DGIWVUPCCDFVAX-NSHDSACASA-N 2 1 226.368 0.903 20 30 BCEDMP C[C@H]1CC[N@@H+](CC[NH+]=C(N(C)C)N(C)C)C1 ZINC000849004694 588431985 /nfs/dbraw/zinc/43/19/85/588431985.db2.gz WHGJKEYAAXKCDK-NSHDSACASA-N 2 1 226.368 0.807 20 30 BCEDMP C[NH+]=C(NCC[N@H+]1CC[C@@H](C)C1)NC1CC1 ZINC000849005043 588432161 /nfs/dbraw/zinc/43/21/61/588432161.db2.gz SENCNBCEFLBAKC-SNVBAGLBSA-N 2 1 224.352 0.656 20 30 BCEDMP CC(C)C[N@@H+](C)CCCNC1=[NH+]C[C@@H](C)N1 ZINC000849047299 588450722 /nfs/dbraw/zinc/45/07/22/588450722.db2.gz UKZQDXMFQBAULX-LLVKDONJSA-N 2 1 226.368 0.902 20 30 BCEDMP C#CCOCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000851801481 588630820 /nfs/dbraw/zinc/63/08/20/588630820.db2.gz KUSXPISAEUNQQB-CYBMUJFWSA-N 2 1 224.348 0.910 20 30 BCEDMP C#CCOCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000851801481 588630821 /nfs/dbraw/zinc/63/08/21/588630821.db2.gz KUSXPISAEUNQQB-CYBMUJFWSA-N 2 1 224.348 0.910 20 30 BCEDMP C#CCOCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000851801481 588630822 /nfs/dbraw/zinc/63/08/22/588630822.db2.gz KUSXPISAEUNQQB-CYBMUJFWSA-N 2 1 224.348 0.910 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000851801481 588630823 /nfs/dbraw/zinc/63/08/23/588630823.db2.gz KUSXPISAEUNQQB-CYBMUJFWSA-N 2 1 224.348 0.910 20 30 BCEDMP C=CC[C@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878802570 590624831 /nfs/dbraw/zinc/62/48/31/590624831.db2.gz KCSKOPPOUSRNRV-LBPRGKRZSA-N 2 1 239.363 0.657 20 30 BCEDMP C=CC[C@H](C)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878802570 590624832 /nfs/dbraw/zinc/62/48/32/590624832.db2.gz KCSKOPPOUSRNRV-LBPRGKRZSA-N 2 1 239.363 0.657 20 30 BCEDMP C#CCOCC[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000878866224 590634727 /nfs/dbraw/zinc/63/47/27/590634727.db2.gz RSBCAYGCXYPSCI-ZDUSSCGKSA-N 2 1 240.347 0.025 20 30 BCEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879577896 590814378 /nfs/dbraw/zinc/81/43/78/590814378.db2.gz NSDLAIYTTUWWFA-UPJWGTAASA-N 2 1 224.348 0.949 20 30 BCEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879577896 590814381 /nfs/dbraw/zinc/81/43/81/590814381.db2.gz NSDLAIYTTUWWFA-UPJWGTAASA-N 2 1 224.348 0.949 20 30 BCEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879577896 590814383 /nfs/dbraw/zinc/81/43/83/590814383.db2.gz NSDLAIYTTUWWFA-UPJWGTAASA-N 2 1 224.348 0.949 20 30 BCEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879577896 590814385 /nfs/dbraw/zinc/81/43/85/590814385.db2.gz NSDLAIYTTUWWFA-UPJWGTAASA-N 2 1 224.348 0.949 20 30 BCEDMP C#CC[C@@H]1CC[N@H+](C[C@H](O)CN(C)CC)C1 ZINC000886365671 592219482 /nfs/dbraw/zinc/21/94/82/592219482.db2.gz NLERMPOECYEUIK-CHWSQXEVSA-N 2 1 224.348 0.644 20 30 BCEDMP C#CC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000886365671 592219483 /nfs/dbraw/zinc/21/94/83/592219483.db2.gz NLERMPOECYEUIK-CHWSQXEVSA-N 2 1 224.348 0.644 20 30 BCEDMP C#CC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000886365671 592219484 /nfs/dbraw/zinc/21/94/84/592219484.db2.gz NLERMPOECYEUIK-CHWSQXEVSA-N 2 1 224.348 0.644 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928445083 635949144 /nfs/dbraw/zinc/94/91/44/635949144.db2.gz WQCUSOCQQMNZBH-QWRGUYRKSA-N 2 1 225.336 0.313 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000328178345 633735010 /nfs/dbraw/zinc/73/50/10/633735010.db2.gz MMKQIHCJOLZUSU-LBPRGKRZSA-N 2 1 237.347 0.200 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000328178345 633735015 /nfs/dbraw/zinc/73/50/15/633735015.db2.gz MMKQIHCJOLZUSU-LBPRGKRZSA-N 2 1 237.347 0.200 20 30 BCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001020025424 633806102 /nfs/dbraw/zinc/80/61/02/633806102.db2.gz OUMKBAVIHWMBIP-SRVKXCTJSA-N 2 1 237.347 0.503 20 30 BCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980397269 635218846 /nfs/dbraw/zinc/21/88/46/635218846.db2.gz ONRANPUICFKAAN-QWHCGFSZSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980397269 635218851 /nfs/dbraw/zinc/21/88/51/635218851.db2.gz ONRANPUICFKAAN-QWHCGFSZSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980397269 635218859 /nfs/dbraw/zinc/21/88/59/635218859.db2.gz ONRANPUICFKAAN-QWHCGFSZSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC[NH2+]CC(=O)Nc1ccccc1C[NH2+]CC ZINC000911684513 639725925 /nfs/dbraw/zinc/72/59/25/639725925.db2.gz DTCXHPGAGGZJSM-UHFFFAOYSA-N 2 1 245.326 0.957 20 30 BCEDMP C#CCOCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931313368 640151099 /nfs/dbraw/zinc/15/10/99/640151099.db2.gz AYNPCIGKMRJIET-KBPBESRZSA-N 2 1 236.359 0.910 20 30 BCEDMP C[NH+](C)CC#CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000913523389 640379479 /nfs/dbraw/zinc/37/94/79/640379479.db2.gz YKSRZATXEMUEOB-UHFFFAOYSA-N 2 1 237.347 0.152 20 30 BCEDMP C=CC[C@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000934463070 641153310 /nfs/dbraw/zinc/15/33/10/641153310.db2.gz FKKJHUMBAQCPBG-NWDGAFQWSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CC[C@H]1CC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000934463070 641153315 /nfs/dbraw/zinc/15/33/15/641153315.db2.gz FKKJHUMBAQCPBG-NWDGAFQWSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CC[C@H]1CC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000934463070 641153319 /nfs/dbraw/zinc/15/33/19/641153319.db2.gz FKKJHUMBAQCPBG-NWDGAFQWSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000934463070 641153323 /nfs/dbraw/zinc/15/33/23/641153323.db2.gz FKKJHUMBAQCPBG-NWDGAFQWSA-N 2 1 212.337 0.949 20 30 BCEDMP C#CCN1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014954103 641211058 /nfs/dbraw/zinc/21/10/58/641211058.db2.gz JNJSBAFMJLGMIK-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCN1CC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001014954103 641211060 /nfs/dbraw/zinc/21/10/60/641211060.db2.gz JNJSBAFMJLGMIK-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031584689 642336396 /nfs/dbraw/zinc/33/63/96/642336396.db2.gz HLBALSGBPYJJAO-ZDUSSCGKSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031584689 642336400 /nfs/dbraw/zinc/33/64/00/642336400.db2.gz HLBALSGBPYJJAO-ZDUSSCGKSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001021895506 642439757 /nfs/dbraw/zinc/43/97/57/642439757.db2.gz OUMKBAVIHWMBIP-GRYCIOLGSA-N 2 1 237.347 0.503 20 30 BCEDMP C[C@@H](CNC(=[NH2+])N(C)C1CC1)[N@@H+](C)C1CC1 ZINC000305797702 642696672 /nfs/dbraw/zinc/69/66/72/642696672.db2.gz BKEOSBCOVAOKSR-VIFPVBQESA-N 2 1 224.352 0.878 20 30 BCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000967897143 642804701 /nfs/dbraw/zinc/80/47/01/642804701.db2.gz XLYFVHINFPCGFV-NEPJUHHUSA-N 2 1 237.347 0.457 20 30 BCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016248622 642951130 /nfs/dbraw/zinc/95/11/30/642951130.db2.gz CGUAALGCDRLMSR-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016248622 642951133 /nfs/dbraw/zinc/95/11/33/642951133.db2.gz CGUAALGCDRLMSR-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016251553 642951733 /nfs/dbraw/zinc/95/17/33/642951733.db2.gz VSQCMSQMPHZFKE-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016251553 642951738 /nfs/dbraw/zinc/95/17/38/642951738.db2.gz VSQCMSQMPHZFKE-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC)C1 ZINC001018986195 643016790 /nfs/dbraw/zinc/01/67/90/643016790.db2.gz VCNJUIIAJTVXMQ-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC)C1 ZINC001018986195 643016800 /nfs/dbraw/zinc/01/68/00/643016800.db2.gz VCNJUIIAJTVXMQ-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020591176 643223396 /nfs/dbraw/zinc/22/33/96/643223396.db2.gz GMSNGWUBBBMTLZ-ZDEQEGDKSA-N 2 1 249.358 0.054 20 30 BCEDMP C=CCNC(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]CC ZINC000083101055 643412590 /nfs/dbraw/zinc/41/25/90/643412590.db2.gz ODJAJEWEAORPSE-NSHDSACASA-N 2 1 236.363 0.964 20 30 BCEDMP C=CCNC(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]CC ZINC000083101055 643412597 /nfs/dbraw/zinc/41/25/97/643412597.db2.gz ODJAJEWEAORPSE-NSHDSACASA-N 2 1 236.363 0.964 20 30 BCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000970721853 643515699 /nfs/dbraw/zinc/51/56/99/643515699.db2.gz PZHCTPNPKUXLMJ-GFCCVEGCSA-N 2 1 246.314 0.015 20 30 BCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970870567 643579528 /nfs/dbraw/zinc/57/95/28/643579528.db2.gz VCESBOMNRZZEKZ-NWDGAFQWSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970870567 643579531 /nfs/dbraw/zinc/57/95/31/643579531.db2.gz VCESBOMNRZZEKZ-NWDGAFQWSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998725259 643720501 /nfs/dbraw/zinc/72/05/01/643720501.db2.gz VTFDYXBLEPSQER-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000922157118 643876935 /nfs/dbraw/zinc/87/69/35/643876935.db2.gz BBLCSGTVSYPXQP-NSHDSACASA-N 2 1 225.336 0.315 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000923295073 644332802 /nfs/dbraw/zinc/33/28/02/644332802.db2.gz RNCZDKJYTDELSU-VXGBXAGGSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923282318 644313477 /nfs/dbraw/zinc/31/34/77/644313477.db2.gz MXPOBVAIJHNAAL-RYUDHWBXSA-N 2 1 212.337 0.984 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000923295073 644332794 /nfs/dbraw/zinc/33/27/94/644332794.db2.gz RNCZDKJYTDELSU-VXGBXAGGSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923358650 644367198 /nfs/dbraw/zinc/36/71/98/644367198.db2.gz JKNZSSGQBGKFEB-AVGNSLFASA-N 2 1 224.348 0.997 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000923410805 644412568 /nfs/dbraw/zinc/41/25/68/644412568.db2.gz JQXNOEZHVCPBAP-XQQFMLRXSA-N 2 1 242.363 0.752 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000923410805 644412574 /nfs/dbraw/zinc/41/25/74/644412574.db2.gz JQXNOEZHVCPBAP-XQQFMLRXSA-N 2 1 242.363 0.752 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000923430429 644421191 /nfs/dbraw/zinc/42/11/91/644421191.db2.gz LEQQHSGHHUFDLA-GHMZBOCLSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000923430429 644421193 /nfs/dbraw/zinc/42/11/93/644421193.db2.gz LEQQHSGHHUFDLA-GHMZBOCLSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516023 644480085 /nfs/dbraw/zinc/48/00/85/644480085.db2.gz RGSAKOMSKFMFFO-XQQFMLRXSA-N 2 1 224.348 0.855 20 30 BCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000923560295 644500758 /nfs/dbraw/zinc/50/07/58/644500758.db2.gz RWXBESPLCNOCJF-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000923560295 644500764 /nfs/dbraw/zinc/50/07/64/644500764.db2.gz RWXBESPLCNOCJF-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000923560295 644500771 /nfs/dbraw/zinc/50/07/71/644500771.db2.gz RWXBESPLCNOCJF-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000923560295 644500777 /nfs/dbraw/zinc/50/07/77/644500777.db2.gz RWXBESPLCNOCJF-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000923560294 644501973 /nfs/dbraw/zinc/50/19/73/644501973.db2.gz RWXBESPLCNOCJF-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000923560294 644501975 /nfs/dbraw/zinc/50/19/75/644501975.db2.gz RWXBESPLCNOCJF-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000923560294 644501978 /nfs/dbraw/zinc/50/19/78/644501978.db2.gz RWXBESPLCNOCJF-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000923560294 644501980 /nfs/dbraw/zinc/50/19/80/644501980.db2.gz RWXBESPLCNOCJF-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C[C@H](CNC(=[NH2+])N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000245924030 644554433 /nfs/dbraw/zinc/55/44/33/644554433.db2.gz VOOLKOGVMWIIME-GHMZBOCLSA-N 2 1 226.368 0.983 20 30 BCEDMP C=CCN1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000957653347 644747545 /nfs/dbraw/zinc/74/75/45/644747545.db2.gz RXQBWFQGSAVJSH-LBPRGKRZSA-N 2 1 237.347 0.268 20 30 BCEDMP CNC(NC[C@H]1C[N@@H+](CC(C)C)CCO1)=[NH+]C ZINC000303262738 644813573 /nfs/dbraw/zinc/81/35/73/644813573.db2.gz QFHLMAMHJFIGEF-NSHDSACASA-N 2 1 242.367 0.138 20 30 BCEDMP COCCNC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000303265101 644814150 /nfs/dbraw/zinc/81/41/50/644814150.db2.gz TZNDPLNQWNGSFZ-LLVKDONJSA-N 2 1 242.367 0.412 20 30 BCEDMP CC[C@@H](C)[N@@H+](C)CCNC(NC)=[NH+]C ZINC000303413614 644822181 /nfs/dbraw/zinc/82/21/81/644822181.db2.gz ZHHGEMMOQKJDTH-SECBINFHSA-N 2 1 200.330 0.512 20 30 BCEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)COC)C1 ZINC000303886114 644854639 /nfs/dbraw/zinc/85/46/39/644854639.db2.gz KBZSVQCEBOBFCS-GHMZBOCLSA-N 2 1 242.367 0.267 20 30 BCEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000303895827 644855433 /nfs/dbraw/zinc/85/54/33/644855433.db2.gz PQOYWGYTOPFMML-NWDGAFQWSA-N 2 1 238.379 0.985 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000303990656 644863190 /nfs/dbraw/zinc/86/31/90/644863190.db2.gz YYAJKGVEXHRLJU-LLVKDONJSA-N 2 1 240.351 0.188 20 30 BCEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000304746533 644928587 /nfs/dbraw/zinc/92/85/87/644928587.db2.gz FUMOPGDFNHZPQN-NSHDSACASA-N 2 1 224.352 0.809 20 30 BCEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925682353 646409756 /nfs/dbraw/zinc/40/97/56/646409756.db2.gz BDXDUQOBZHQILN-ISCIKXKRSA-N 2 1 234.343 0.916 20 30 BCEDMP CC#CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000717728514 712667671 /nfs/dbraw/zinc/66/76/71/712667671.db2.gz OWOJYTFTFQNRFE-FUDCBSFHSA-N 2 1 236.359 0.976 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075106107 711445347 /nfs/dbraw/zinc/44/53/47/711445347.db2.gz QSVOBJXPVRJIJG-XQQFMLRXSA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000970478580 711477926 /nfs/dbraw/zinc/47/79/26/711477926.db2.gz MGWOAJFGBHWMMY-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712143 711535961 /nfs/dbraw/zinc/53/59/61/711535961.db2.gz NCIFSAPQVMSETE-QWRGUYRKSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723891339 711543967 /nfs/dbraw/zinc/54/39/67/711543967.db2.gz NGTYRKVDMHADDU-IJLUTSLNSA-N 2 1 239.363 0.594 20 30 BCEDMP C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027792830 711735542 /nfs/dbraw/zinc/73/55/42/711735542.db2.gz XCDATRGGSRPGBM-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032182519 711905441 /nfs/dbraw/zinc/90/54/41/711905441.db2.gz MJVHNYRXNSYTBS-GFCCVEGCSA-N 2 1 237.347 0.172 20 30 BCEDMP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032782252 711938290 /nfs/dbraw/zinc/93/82/90/711938290.db2.gz ZNUKHCXBDTXCBI-AVGNSLFASA-N 2 1 249.358 0.409 20 30 BCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032782252 711938292 /nfs/dbraw/zinc/93/82/92/711938292.db2.gz ZNUKHCXBDTXCBI-AVGNSLFASA-N 2 1 249.358 0.409 20 30 BCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032782252 711938296 /nfs/dbraw/zinc/93/82/96/711938296.db2.gz ZNUKHCXBDTXCBI-AVGNSLFASA-N 2 1 249.358 0.409 20 30 BCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032782252 711938298 /nfs/dbraw/zinc/93/82/98/711938298.db2.gz ZNUKHCXBDTXCBI-AVGNSLFASA-N 2 1 249.358 0.409 20 30 BCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032782252 711938300 /nfs/dbraw/zinc/93/83/00/711938300.db2.gz ZNUKHCXBDTXCBI-AVGNSLFASA-N 2 1 249.358 0.409 20 30 BCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001033456773 711991915 /nfs/dbraw/zinc/99/19/15/711991915.db2.gz ANRHTMUJGJBYDI-GFCCVEGCSA-N 2 1 248.330 0.671 20 30 BCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664088 712010436 /nfs/dbraw/zinc/01/04/36/712010436.db2.gz CBGBRHFVDWQKGM-ZDUSSCGKSA-N 2 1 249.358 0.248 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664088 712010437 /nfs/dbraw/zinc/01/04/37/712010437.db2.gz CBGBRHFVDWQKGM-ZDUSSCGKSA-N 2 1 249.358 0.248 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033661910 712011926 /nfs/dbraw/zinc/01/19/26/712011926.db2.gz NKEALMLVNZETBP-CHWSQXEVSA-N 2 1 249.358 0.104 20 30 BCEDMP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000717824351 712681691 /nfs/dbraw/zinc/68/16/91/712681691.db2.gz XGQVYMLHCMSEKJ-JHJVBQTASA-N 2 1 224.348 0.833 20 30 BCEDMP CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000717824351 712681692 /nfs/dbraw/zinc/68/16/92/712681692.db2.gz XGQVYMLHCMSEKJ-JHJVBQTASA-N 2 1 224.348 0.833 20 30 BCEDMP C=CC[NH+]1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000667698225 721863206 /nfs/dbraw/zinc/86/32/06/721863206.db2.gz FIUQTXJOSHWYMN-UHFFFAOYSA-N 2 1 218.304 0.972 20 30 BCEDMP C=CC[C@H](CO)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423020273 398162733 /nfs/dbraw/zinc/16/27/33/398162733.db2.gz ZRBBVJYMBUNPDK-GRYCIOLGSA-N 2 1 212.337 0.759 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397487042 323020409 /nfs/dbraw/zinc/02/04/09/323020409.db2.gz VWWWXCXTQYAWKU-TUAOUCFPSA-N 2 1 239.363 0.594 20 30 BCEDMP C=CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397487042 323020410 /nfs/dbraw/zinc/02/04/10/323020410.db2.gz VWWWXCXTQYAWKU-TUAOUCFPSA-N 2 1 239.363 0.594 20 30 BCEDMP CC(C)(CC#N)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600736292 344365729 /nfs/dbraw/zinc/36/57/29/344365729.db2.gz OKXKLDULHCUYIW-GFCCVEGCSA-N 2 1 239.363 0.973 20 30 BCEDMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600722643 344363158 /nfs/dbraw/zinc/36/31/58/344363158.db2.gz JXACUUXNKZSDIP-LBPRGKRZSA-N 2 1 248.330 0.836 20 30 BCEDMP C=CCNC(=O)C[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000037538863 344552790 /nfs/dbraw/zinc/55/27/90/344552790.db2.gz MEUYGFADHBEJLH-UHFFFAOYSA-N 2 1 239.363 0.753 20 30 BCEDMP C=CCNC(=O)C[N@H+](CCC)C1CC[NH2+]CC1 ZINC000037538863 344552792 /nfs/dbraw/zinc/55/27/92/344552792.db2.gz MEUYGFADHBEJLH-UHFFFAOYSA-N 2 1 239.363 0.753 20 30 BCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000641801414 362755229 /nfs/dbraw/zinc/75/52/29/362755229.db2.gz QMSBNEAJTDGYGC-AXFHLTTASA-N 2 1 237.347 0.489 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)C1=O ZINC000580327432 347151128 /nfs/dbraw/zinc/15/11/28/347151128.db2.gz LRZFRTBHVTZEGM-SRVKXCTJSA-N 2 1 237.347 0.442 20 30 BCEDMP C[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439143 348054252 /nfs/dbraw/zinc/05/42/52/348054252.db2.gz OXNSRCAFFRZWKB-LLVKDONJSA-N 2 1 238.335 0.172 20 30 BCEDMP C[C@]1(C#N)CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595904979 348396542 /nfs/dbraw/zinc/39/65/42/348396542.db2.gz NLWVMYLXCYYZKJ-NWDGAFQWSA-N 2 1 235.331 0.743 20 30 BCEDMP CC[C@@H](C)NC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000271794618 351437147 /nfs/dbraw/zinc/43/71/47/351437147.db2.gz JSNQVOJKHPXNJA-SNVBAGLBSA-N 2 1 224.352 0.951 20 30 BCEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])N(C)C1CC1 ZINC000273359016 351523357 /nfs/dbraw/zinc/52/33/57/351523357.db2.gz SJSWUTNZUJDSEQ-UHFFFAOYSA-N 2 1 235.335 0.991 20 30 BCEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336734857 351898729 /nfs/dbraw/zinc/89/87/29/351898729.db2.gz NPQHSVVZHWVYKZ-IJLUTSLNSA-N 2 1 210.321 0.750 20 30 BCEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336734857 351898730 /nfs/dbraw/zinc/89/87/30/351898730.db2.gz NPQHSVVZHWVYKZ-IJLUTSLNSA-N 2 1 210.321 0.750 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721230 166364806 /nfs/dbraw/zinc/36/48/06/166364806.db2.gz OCZULTULOVMLJM-LLVKDONJSA-N 2 1 225.336 0.492 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000069721230 166364807 /nfs/dbraw/zinc/36/48/07/166364807.db2.gz OCZULTULOVMLJM-LLVKDONJSA-N 2 1 225.336 0.492 20 30 BCEDMP C#CC[NH+](CC)CCOCC[N@H+](CC)CC#C ZINC000267466836 188261039 /nfs/dbraw/zinc/26/10/39/188261039.db2.gz WQVGRBYVOOOEMI-UHFFFAOYSA-N 2 1 236.359 0.913 20 30 BCEDMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000336781993 353704677 /nfs/dbraw/zinc/70/46/77/353704677.db2.gz WIUAUKWEIGXILB-SDDRHHMPSA-N 2 1 225.336 0.581 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553611 134248255 /nfs/dbraw/zinc/24/82/55/134248255.db2.gz ZPLFQSPKIJEJQM-MNOVXSKESA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553611 134248256 /nfs/dbraw/zinc/24/82/56/134248256.db2.gz ZPLFQSPKIJEJQM-MNOVXSKESA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630591364 364304765 /nfs/dbraw/zinc/30/47/65/364304765.db2.gz WBZXXILLYUQJRF-UHFFFAOYSA-N 2 1 249.362 0.820 20 30 BCEDMP C=CCC[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000134919623 364419611 /nfs/dbraw/zinc/41/96/11/364419611.db2.gz MSYBUCUGMLHUSQ-QWRGUYRKSA-N 2 1 200.326 0.853 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COC(C)C ZINC000383011939 367585593 /nfs/dbraw/zinc/58/55/93/367585593.db2.gz BHJRNMNMMBEJKN-CYBMUJFWSA-N 2 1 242.363 0.317 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COC(C)C ZINC000383011939 367585598 /nfs/dbraw/zinc/58/55/98/367585598.db2.gz BHJRNMNMMBEJKN-CYBMUJFWSA-N 2 1 242.363 0.317 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NC1CCCC1 ZINC000383123009 367597600 /nfs/dbraw/zinc/59/76/00/367597600.db2.gz HGKAQFWKPUSCPI-UHFFFAOYSA-N 2 1 236.363 0.998 20 30 BCEDMP C#CC[N@H+](C)CCCNC1=[NH+]CCCN1C ZINC000386191744 367927497 /nfs/dbraw/zinc/92/74/97/367927497.db2.gz ZLKHZXMMYYBQMX-UHFFFAOYSA-N 2 1 222.336 0.223 20 30 BCEDMP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(C#N)o1 ZINC000600769251 369563529 /nfs/dbraw/zinc/56/35/29/369563529.db2.gz SCZWZKYULZHVCN-UHFFFAOYSA-N 2 1 248.330 0.488 20 30 BCEDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(C#N)o1 ZINC000600769251 369563533 /nfs/dbraw/zinc/56/35/33/369563533.db2.gz SCZWZKYULZHVCN-UHFFFAOYSA-N 2 1 248.330 0.488 20 30 BCEDMP C[N@@H+](CCOCC[NH3+])Cc1cccc(C#N)c1 ZINC000600770910 369564788 /nfs/dbraw/zinc/56/47/88/369564788.db2.gz DSJLCOGMAHERIW-UHFFFAOYSA-N 2 1 233.315 0.965 20 30 BCEDMP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C#N)o1 ZINC000600778496 369565874 /nfs/dbraw/zinc/56/58/74/369565874.db2.gz ZZTKZWXKALDUTK-UHFFFAOYSA-N 2 1 237.303 0.819 20 30 BCEDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C#N)o1 ZINC000600778496 369565879 /nfs/dbraw/zinc/56/58/79/369565879.db2.gz ZZTKZWXKALDUTK-UHFFFAOYSA-N 2 1 237.303 0.819 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784137 370536009 /nfs/dbraw/zinc/53/60/09/370536009.db2.gz KKMYEOCYDNLIRU-SGMGOOAPSA-N 2 1 249.358 0.587 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784137 370536015 /nfs/dbraw/zinc/53/60/15/370536015.db2.gz KKMYEOCYDNLIRU-SGMGOOAPSA-N 2 1 249.358 0.587 20 30 BCEDMP C#CCNC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367849814 384176073 /nfs/dbraw/zinc/17/60/73/384176073.db2.gz ZIGYTJYBIGKZRW-TZMCWYRMSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CCNC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000171539996 385494758 /nfs/dbraw/zinc/49/47/58/385494758.db2.gz RBVZAWQMHRHTGY-UHFFFAOYSA-N 2 1 224.352 0.951 20 30 BCEDMP C#CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374423532 533158922 /nfs/dbraw/zinc/15/89/22/533158922.db2.gz WJIBRNCPLHPQJH-JHJVBQTASA-N 2 1 222.332 0.803 20 30 BCEDMP C#CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374423532 533158924 /nfs/dbraw/zinc/15/89/24/533158924.db2.gz WJIBRNCPLHPQJH-JHJVBQTASA-N 2 1 222.332 0.803 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125383118 386839204 /nfs/dbraw/zinc/83/92/04/386839204.db2.gz XSKLPUUQZRCLDO-TUAOUCFPSA-N 2 1 237.347 0.348 20 30 BCEDMP C=CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000156186756 387934396 /nfs/dbraw/zinc/93/43/96/387934396.db2.gz ZHHPWEXDRRHVSA-UHFFFAOYSA-N 2 1 211.353 0.742 20 30 BCEDMP C=CCn1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])nn1 ZINC000424368836 387994627 /nfs/dbraw/zinc/99/46/27/387994627.db2.gz BWOMFEJVQUOGLQ-JQWIXIFHSA-N 2 1 235.335 0.681 20 30 BCEDMP CC#CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104193 388143309 /nfs/dbraw/zinc/14/33/09/388143309.db2.gz AOIINZPNBHZWGM-UHFFFAOYSA-N 2 1 222.332 0.806 20 30 BCEDMP CC#CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104193 388143311 /nfs/dbraw/zinc/14/33/11/388143311.db2.gz AOIINZPNBHZWGM-UHFFFAOYSA-N 2 1 222.332 0.806 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000491419417 388293272 /nfs/dbraw/zinc/29/32/72/388293272.db2.gz URIVREIWSDGSHN-GFCCVEGCSA-N 2 1 249.358 0.366 20 30 BCEDMP C#CC[NH+](C)CCOCC[N@H+](C)CC#C ZINC000491730998 388315649 /nfs/dbraw/zinc/31/56/49/388315649.db2.gz LVYUNXZTBFXJIX-UHFFFAOYSA-N 2 1 208.305 0.133 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)Cn1cncn1 ZINC000491784419 388321045 /nfs/dbraw/zinc/32/10/45/388321045.db2.gz PLVUDYNDPLCRJV-CYBMUJFWSA-N 2 1 249.362 0.601 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)Cn1cncn1 ZINC000491784419 388321046 /nfs/dbraw/zinc/32/10/46/388321046.db2.gz PLVUDYNDPLCRJV-CYBMUJFWSA-N 2 1 249.362 0.601 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NC1CCC1 ZINC000491804758 388321802 /nfs/dbraw/zinc/32/18/02/388321802.db2.gz MKPYNVQYSYOXJY-UHFFFAOYSA-N 2 1 222.336 0.608 20 30 BCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CC)CC1 ZINC000572952750 388397594 /nfs/dbraw/zinc/39/75/94/388397594.db2.gz HKKUXLCIRUWBQZ-LBPRGKRZSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246223563 388624337 /nfs/dbraw/zinc/62/43/37/388624337.db2.gz DQSFSSMYKKWQIA-QJPTWQEYSA-N 2 1 239.363 0.607 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000246223563 388624340 /nfs/dbraw/zinc/62/43/40/388624340.db2.gz DQSFSSMYKKWQIA-QJPTWQEYSA-N 2 1 239.363 0.607 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000565775736 388969099 /nfs/dbraw/zinc/96/90/99/388969099.db2.gz VZXSIWCLKXDKBQ-NWDGAFQWSA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000565775736 388969102 /nfs/dbraw/zinc/96/91/02/388969102.db2.gz VZXSIWCLKXDKBQ-NWDGAFQWSA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886368 135100376 /nfs/dbraw/zinc/10/03/76/135100376.db2.gz KXLFIZWVBNYRGT-DCAQKATOSA-N 2 1 225.336 0.346 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886368 135100378 /nfs/dbraw/zinc/10/03/78/135100378.db2.gz KXLFIZWVBNYRGT-DCAQKATOSA-N 2 1 225.336 0.346 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886365 135100400 /nfs/dbraw/zinc/10/04/00/135100400.db2.gz KXLFIZWVBNYRGT-VWYCJHECSA-N 2 1 225.336 0.346 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886365 135100402 /nfs/dbraw/zinc/10/04/02/135100402.db2.gz KXLFIZWVBNYRGT-VWYCJHECSA-N 2 1 225.336 0.346 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253202318 135124806 /nfs/dbraw/zinc/12/48/06/135124806.db2.gz YQXARWAGKVBMHP-SDDRHHMPSA-N 2 1 239.363 0.594 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253202318 135124807 /nfs/dbraw/zinc/12/48/07/135124807.db2.gz YQXARWAGKVBMHP-SDDRHHMPSA-N 2 1 239.363 0.594 20 30 BCEDMP CN(C)C(=[NH+]CC1=CC[N@@H+](C)CC1)N(C)C ZINC000263195130 135125385 /nfs/dbraw/zinc/12/53/85/135125385.db2.gz ZWMZDSSUUMKLLG-UHFFFAOYSA-N 2 1 224.352 0.728 20 30 BCEDMP CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264082249 135131893 /nfs/dbraw/zinc/13/18/93/135131893.db2.gz HRQBXISYRHEVHE-NSHDSACASA-N 2 1 246.358 0.967 20 30 BCEDMP CNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264082249 135131894 /nfs/dbraw/zinc/13/18/94/135131894.db2.gz HRQBXISYRHEVHE-NSHDSACASA-N 2 1 246.358 0.967 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCC[N@@H+](C)C1CC1 ZINC000264103490 135133061 /nfs/dbraw/zinc/13/30/61/135133061.db2.gz OUMZNJSONQJXSQ-UHFFFAOYSA-N 2 1 210.325 0.561 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCC[N@H+](C)C1CC1 ZINC000264103490 135133062 /nfs/dbraw/zinc/13/30/62/135133062.db2.gz OUMZNJSONQJXSQ-UHFFFAOYSA-N 2 1 210.325 0.561 20 30 BCEDMP CNC(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000264113727 135133786 /nfs/dbraw/zinc/13/37/86/135133786.db2.gz RXHIWHYUFNCEOT-UHFFFAOYSA-N 2 1 246.358 0.969 20 30 BCEDMP Cc1[nH+]ccn1CCNC1=[NH+]C[C@H](C)N1 ZINC000261534118 135165931 /nfs/dbraw/zinc/16/59/31/135165931.db2.gz LTFWFZDTNZPGOC-QMMMGPOBSA-N 2 1 207.281 0.129 20 30 BCEDMP CC[N@H+](CCNC1=[NH+]CCN1C)C1CC1 ZINC000261536141 135171215 /nfs/dbraw/zinc/17/12/15/135171215.db2.gz QNPQHXIKAOCWMP-UHFFFAOYSA-N 2 1 210.325 0.362 20 30 BCEDMP CC[N@@H+](CCNC1=[NH+]CCN1C)C1CC1 ZINC000261536141 135171217 /nfs/dbraw/zinc/17/12/17/135171217.db2.gz QNPQHXIKAOCWMP-UHFFFAOYSA-N 2 1 210.325 0.362 20 30 BCEDMP C[C@@H](CNC1=[NH+]CCN1C)[N@H+](C)C1CC1 ZINC000261536946 135172896 /nfs/dbraw/zinc/17/28/96/135172896.db2.gz UHRBKYCQAUMOKD-VIFPVBQESA-N 2 1 210.325 0.360 20 30 BCEDMP C[C@@H](CNC1=[NH+]CCN1C)[N@@H+](C)C1CC1 ZINC000261536946 135172899 /nfs/dbraw/zinc/17/28/99/135172899.db2.gz UHRBKYCQAUMOKD-VIFPVBQESA-N 2 1 210.325 0.360 20 30 BCEDMP CN1CC[NH+]=C1NCC[N@@H+](C)C1CCCC1 ZINC000261561205 135202291 /nfs/dbraw/zinc/20/22/91/135202291.db2.gz AMAOHYKKDGTERV-UHFFFAOYSA-N 2 1 224.352 0.752 20 30 BCEDMP C[C@@H]1C[NH+]=C(NC[C@@H]2CC[N@H+](C3CC3)C2)N1 ZINC000261593927 135234649 /nfs/dbraw/zinc/23/46/49/135234649.db2.gz XDGHPEANWSXKFL-ZJUUUORDSA-N 2 1 222.336 0.408 20 30 BCEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)NCC1CCC1 ZINC000262441314 135299540 /nfs/dbraw/zinc/29/95/40/135299540.db2.gz HRWNCQAIFBOXTF-UHFFFAOYSA-N 2 1 236.363 0.953 20 30 BCEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)NCC1CCC1 ZINC000262441314 135299542 /nfs/dbraw/zinc/29/95/42/135299542.db2.gz HRWNCQAIFBOXTF-UHFFFAOYSA-N 2 1 236.363 0.953 20 30 BCEDMP CC[C@@H](C)NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262466561 135300838 /nfs/dbraw/zinc/30/08/38/135300838.db2.gz YDCJPEYMFNUILS-NXEZZACHSA-N 2 1 235.335 0.901 20 30 BCEDMP C[C@@H]1C[NH+]=C(NC[C@@H]2CCCC[N@H+]2C2CC2)N1 ZINC000262474253 135300872 /nfs/dbraw/zinc/30/08/72/135300872.db2.gz BQQHFWWZPZUFPM-PWSUYJOCSA-N 2 1 236.363 0.941 20 30 BCEDMP CN1CC[NH+]=C1NC[C@@]1([NH+](C)C)CCSC1 ZINC000262477868 135301516 /nfs/dbraw/zinc/30/15/16/135301516.db2.gz CLZZCVLBSCMRIS-NSHDSACASA-N 2 1 242.392 0.315 20 30 BCEDMP [NH2+]=C(NCC[NH+]1CCC1)NCC1CCC1 ZINC000262818653 135319748 /nfs/dbraw/zinc/31/97/48/135319748.db2.gz XMSOHAOKERVKEK-UHFFFAOYSA-N 2 1 210.325 0.397 20 30 BCEDMP CN1CC[NH+]=C1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000263142032 135335542 /nfs/dbraw/zinc/33/55/42/135335542.db2.gz OITRDWCBABHWOI-NSHDSACASA-N 2 1 224.352 0.609 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122896488 411436992 /nfs/dbraw/zinc/43/69/92/411436992.db2.gz FPVXMUCYTSWZFN-SRVKXCTJSA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122896488 411436993 /nfs/dbraw/zinc/43/69/93/411436993.db2.gz FPVXMUCYTSWZFN-SRVKXCTJSA-N 2 1 239.363 0.736 20 30 BCEDMP C=C[C@H](CO)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000662166299 411999783 /nfs/dbraw/zinc/99/97/83/411999783.db2.gz ZKTHXZQNDHVEJX-VXGBXAGGSA-N 2 1 212.337 0.997 20 30 BCEDMP C=C[C@H](CO)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000662166299 411999784 /nfs/dbraw/zinc/99/97/84/411999784.db2.gz ZKTHXZQNDHVEJX-VXGBXAGGSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248516753 323023936 /nfs/dbraw/zinc/02/39/36/323023936.db2.gz OYTPEVKRVUOEEK-SDDRHHMPSA-N 2 1 212.337 0.996 20 30 BCEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248516753 323023937 /nfs/dbraw/zinc/02/39/37/323023937.db2.gz OYTPEVKRVUOEEK-SDDRHHMPSA-N 2 1 212.337 0.996 20 30 BCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CSC)CC1 ZINC000570156100 323051253 /nfs/dbraw/zinc/05/12/53/323051253.db2.gz XFBYXFVGKSRVQY-LBPRGKRZSA-N 2 1 244.404 0.950 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1=O ZINC000570683891 323067133 /nfs/dbraw/zinc/06/71/33/323067133.db2.gz IKQVUMFYFOJHNX-TUAOUCFPSA-N 2 1 237.347 0.442 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1=O ZINC000570683891 323067134 /nfs/dbraw/zinc/06/71/34/323067134.db2.gz IKQVUMFYFOJHNX-TUAOUCFPSA-N 2 1 237.347 0.442 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]CC1(O)CCCC1 ZINC000328222665 324254490 /nfs/dbraw/zinc/25/44/90/324254490.db2.gz APSLQUQKVPUMED-UHFFFAOYSA-N 2 1 224.348 0.836 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(O)CCCC1 ZINC000328222665 324254492 /nfs/dbraw/zinc/25/44/92/324254492.db2.gz APSLQUQKVPUMED-UHFFFAOYSA-N 2 1 224.348 0.836 20 30 BCEDMP C=CCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566571956 326065809 /nfs/dbraw/zinc/06/58/09/326065809.db2.gz IBSVDTFWBNFYAL-MNOVXSKESA-N 2 1 223.320 0.196 20 30 BCEDMP C=CCCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000304628037 534718649 /nfs/dbraw/zinc/71/86/49/534718649.db2.gz VBEPWXHQZTUJOD-CYBMUJFWSA-N 2 1 223.364 0.932 20 30 BCEDMP C=CCNC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000262401476 534844645 /nfs/dbraw/zinc/84/46/45/534844645.db2.gz RFBHDTFIOPCDTL-UHFFFAOYSA-N 2 1 208.309 0.339 20 30 BCEDMP C=CCNC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000262401476 534844649 /nfs/dbraw/zinc/84/46/49/534844649.db2.gz RFBHDTFIOPCDTL-UHFFFAOYSA-N 2 1 208.309 0.339 20 30 BCEDMP CC(C)C[N@H+]1CC[C@H](CNC2=[NH+]CCN2C)C1 ZINC000262675358 535134385 /nfs/dbraw/zinc/13/43/85/535134385.db2.gz SYIFDZXEGPVVKB-GFCCVEGCSA-N 2 1 238.379 0.855 20 30 BCEDMP C[NH+](C)C1(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000263083982 536111989 /nfs/dbraw/zinc/11/19/89/536111989.db2.gz ICCNRVHZJUIVKP-UHFFFAOYSA-N 2 1 224.352 0.785 20 30 BCEDMP CCCC[N@@H+](C)CCNC(=[NH2+])NCCOC ZINC000112495739 588800475 /nfs/dbraw/zinc/80/04/75/588800475.db2.gz LJAQHFCEWURKJE-UHFFFAOYSA-N 2 1 230.356 0.269 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC#N ZINC000849023231 582829994 /nfs/dbraw/zinc/82/99/94/582829994.db2.gz AANIFWQXWSLHQT-SNVBAGLBSA-N 2 1 223.324 0.498 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000857230772 588897330 /nfs/dbraw/zinc/89/73/30/588897330.db2.gz MIFWCSKONJOWBR-BPCQOVAHSA-N 2 1 249.358 0.293 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000857230772 588897332 /nfs/dbraw/zinc/89/73/32/588897332.db2.gz MIFWCSKONJOWBR-BPCQOVAHSA-N 2 1 249.358 0.293 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880140898 583472844 /nfs/dbraw/zinc/47/28/44/583472844.db2.gz FCWBEJOVUILMKG-QWHCGFSZSA-N 2 1 222.332 0.805 20 30 BCEDMP C#CCOCCN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880140898 583472848 /nfs/dbraw/zinc/47/28/48/583472848.db2.gz FCWBEJOVUILMKG-QWHCGFSZSA-N 2 1 222.332 0.805 20 30 BCEDMP C#CCOCCN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880140898 583472849 /nfs/dbraw/zinc/47/28/49/583472849.db2.gz FCWBEJOVUILMKG-QWHCGFSZSA-N 2 1 222.332 0.805 20 30 BCEDMP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2CO)C1 ZINC000895200250 583624155 /nfs/dbraw/zinc/62/41/55/583624155.db2.gz FGIZSHBGCYXFEF-CYBMUJFWSA-N 2 1 245.326 0.505 20 30 BCEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000203023349 583962206 /nfs/dbraw/zinc/96/22/06/583962206.db2.gz NPTKJKNFANRKOH-VIFPVBQESA-N 2 1 210.325 0.395 20 30 BCEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729920616 584029773 /nfs/dbraw/zinc/02/97/73/584029773.db2.gz NRCGOXIRLPIQPW-GFCCVEGCSA-N 2 1 246.314 0.269 20 30 BCEDMP C#CCNC(=O)CN1CCC[C@@H](n2ccnc2)C1 ZINC000729920616 584029775 /nfs/dbraw/zinc/02/97/75/584029775.db2.gz NRCGOXIRLPIQPW-GFCCVEGCSA-N 2 1 246.314 0.269 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1=O ZINC000904342717 584867374 /nfs/dbraw/zinc/86/73/74/584867374.db2.gz OGEFCZJSBHWDFH-TUAOUCFPSA-N 2 1 237.347 0.442 20 30 BCEDMP C#C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000838936765 585081660 /nfs/dbraw/zinc/08/16/60/585081660.db2.gz OBQXLFSTAIAZRY-OLZOCXBDSA-N 2 1 233.315 0.733 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1[nH]cnc1C ZINC000748406713 585192551 /nfs/dbraw/zinc/19/25/51/585192551.db2.gz VBDSYJSSBYLIOZ-LBPRGKRZSA-N 2 1 246.314 0.432 20 30 BCEDMP C#C[C@@H]([NH2+]CCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000775789919 585684771 /nfs/dbraw/zinc/68/47/71/585684771.db2.gz FEUCRPMKTKNIOZ-CHWSQXEVSA-N 2 1 233.315 0.962 20 30 BCEDMP C[C@@H]1CNC(NN=C2CC[N@@H+](C)[C@H](C)C2)=[NH+]1 ZINC000779794152 585763660 /nfs/dbraw/zinc/76/36/60/585763660.db2.gz CZKCKTARZOCARL-RKDXNWHRSA-N 2 1 223.324 0.394 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000804381519 586394473 /nfs/dbraw/zinc/39/44/73/586394473.db2.gz PLPFBASDSROKKP-GFCCVEGCSA-N 2 1 239.363 0.657 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ncc[nH]1 ZINC000848387116 588375755 /nfs/dbraw/zinc/37/57/55/588375755.db2.gz JKFKNNKOMZXPEP-MNOVXSKESA-N 2 1 246.314 0.685 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ncc[nH]1 ZINC000848387116 588375757 /nfs/dbraw/zinc/37/57/57/588375757.db2.gz JKFKNNKOMZXPEP-MNOVXSKESA-N 2 1 246.314 0.685 20 30 BCEDMP C[C@@H]1CNC(NN=C2CCC[N@H+]3CCCC[C@H]23)=[NH+]1 ZINC000848408211 588379243 /nfs/dbraw/zinc/37/92/43/588379243.db2.gz GUUOYFFOXCAZJO-ZYHUDNBSSA-N 2 1 249.362 0.928 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1 ZINC000848992556 588427835 /nfs/dbraw/zinc/42/78/35/588427835.db2.gz JEKLNEFOWTYTEP-SNVBAGLBSA-N 2 1 210.325 0.628 20 30 BCEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)NC1CC1 ZINC000848997685 588429839 /nfs/dbraw/zinc/42/98/39/588429839.db2.gz YJIVNLFTFKPQFJ-UHFFFAOYSA-N 2 1 210.325 0.408 20 30 BCEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)NC1CC1 ZINC000848997685 588429840 /nfs/dbraw/zinc/42/98/40/588429840.db2.gz YJIVNLFTFKPQFJ-UHFFFAOYSA-N 2 1 210.325 0.408 20 30 BCEDMP C=CCNC(=[NH2+])NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004776 588432119 /nfs/dbraw/zinc/43/21/19/588432119.db2.gz ZBQDJFWILHCHRN-JTQLQIEISA-N 2 1 210.325 0.628 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849034244 588444262 /nfs/dbraw/zinc/44/42/62/588444262.db2.gz PBMQLQXZXJZVSR-NSHDSACASA-N 2 1 240.351 0.133 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=O)Cn1cncc1C ZINC000861837680 589180040 /nfs/dbraw/zinc/18/00/40/589180040.db2.gz HUNKVMVEBSYLCZ-UHFFFAOYSA-N 2 1 248.330 0.263 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC000861837680 589180043 /nfs/dbraw/zinc/18/00/43/589180043.db2.gz HUNKVMVEBSYLCZ-UHFFFAOYSA-N 2 1 248.330 0.263 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000203019309 589208739 /nfs/dbraw/zinc/20/87/39/589208739.db2.gz MJQXORKNMDDIIQ-JTQLQIEISA-N 2 1 210.325 0.537 20 30 BCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000876733459 590233935 /nfs/dbraw/zinc/23/39/35/590233935.db2.gz YIASFFHFKNLRNZ-VHSXEESVSA-N 2 1 245.754 0.667 20 30 BCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000876809296 590245463 /nfs/dbraw/zinc/24/54/63/590245463.db2.gz RVOMHAPNSLSCTE-ZCFIWIBFSA-N 2 1 241.669 0.167 20 30 BCEDMP C[C@H](CNC(=[NH2+])NC1CC1)C[NH+]1CCOCC1 ZINC000127253341 590601692 /nfs/dbraw/zinc/60/16/92/590601692.db2.gz LABFTIIRTUKWDF-SNVBAGLBSA-N 2 1 240.351 0.021 20 30 BCEDMP C#CCCC[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000878867048 590634358 /nfs/dbraw/zinc/63/43/58/590634358.db2.gz ZJOFIIDKINPASS-ZDUSSCGKSA-N 2 1 224.348 0.788 20 30 BCEDMP C#CCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878867048 590634361 /nfs/dbraw/zinc/63/43/61/590634361.db2.gz ZJOFIIDKINPASS-ZDUSSCGKSA-N 2 1 224.348 0.788 20 30 BCEDMP C#CCOCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580316 590822117 /nfs/dbraw/zinc/82/21/17/590822117.db2.gz SINJYTYAYBRDIW-QWHCGFSZSA-N 2 1 222.332 0.662 20 30 BCEDMP C#CCOCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580316 590822120 /nfs/dbraw/zinc/82/21/20/590822120.db2.gz SINJYTYAYBRDIW-QWHCGFSZSA-N 2 1 222.332 0.662 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580316 590822124 /nfs/dbraw/zinc/82/21/24/590822124.db2.gz SINJYTYAYBRDIW-QWHCGFSZSA-N 2 1 222.332 0.662 20 30 BCEDMP C#CCOCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580316 590822128 /nfs/dbraw/zinc/82/21/28/590822128.db2.gz SINJYTYAYBRDIW-QWHCGFSZSA-N 2 1 222.332 0.662 20 30 BCEDMP COCC#CCN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880137769 590940528 /nfs/dbraw/zinc/94/05/28/590940528.db2.gz KNBMGMOWSNAQMX-STQMWFEESA-N 2 1 222.332 0.805 20 30 BCEDMP C#CC[N@@H+](C)CCCNC1=[NH+]CCCCN1 ZINC000829300842 592707476 /nfs/dbraw/zinc/70/74/76/592707476.db2.gz QVSCFYBKOWZQDL-UHFFFAOYSA-N 2 1 222.336 0.271 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1COCC1(C)C ZINC000313022819 634438981 /nfs/dbraw/zinc/43/89/81/634438981.db2.gz DUTGZJNHLLEHQG-LBPRGKRZSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1COCC1(C)C ZINC000313022819 634438990 /nfs/dbraw/zinc/43/89/90/634438990.db2.gz DUTGZJNHLLEHQG-LBPRGKRZSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000178586237 635536712 /nfs/dbraw/zinc/53/67/12/635536712.db2.gz PDZXMBUPWTYQMW-LBPRGKRZSA-N 2 1 236.363 0.788 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928427606 635904359 /nfs/dbraw/zinc/90/43/59/635904359.db2.gz KDWZSCIJTADEMA-NWDGAFQWSA-N 2 1 239.363 0.703 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](C)COC ZINC000328193631 633743626 /nfs/dbraw/zinc/74/36/26/633743626.db2.gz QTBYTNVAHZGTRY-LBPRGKRZSA-N 2 1 212.337 0.814 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](C)COC ZINC000328193631 633743634 /nfs/dbraw/zinc/74/36/34/633743634.db2.gz QTBYTNVAHZGTRY-LBPRGKRZSA-N 2 1 212.337 0.814 20 30 BCEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)COC)C1 ZINC000303886117 636313105 /nfs/dbraw/zinc/31/31/05/636313105.db2.gz KBZSVQCEBOBFCS-WDEREUQCSA-N 2 1 242.367 0.267 20 30 BCEDMP C=C(C)C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000905449142 637809309 /nfs/dbraw/zinc/80/93/09/637809309.db2.gz CTYIBORUTIKZLX-YPMHNXCESA-N 2 1 242.363 0.358 20 30 BCEDMP C=C(C)C[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000905449142 637809314 /nfs/dbraw/zinc/80/93/14/637809314.db2.gz CTYIBORUTIKZLX-YPMHNXCESA-N 2 1 242.363 0.358 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)NC1C[NH+](C(C)C)C1 ZINC000907519054 638402001 /nfs/dbraw/zinc/40/20/01/638402001.db2.gz GBESNELFVGNYFX-UHFFFAOYSA-N 2 1 239.363 0.703 20 30 BCEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)NC(C)(C)C ZINC000912496705 640087913 /nfs/dbraw/zinc/08/79/13/640087913.db2.gz CLIJCMWCVLUIBO-VIFPVBQESA-N 2 1 214.357 0.900 20 30 BCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431667 640199401 /nfs/dbraw/zinc/19/94/01/640199401.db2.gz ZDETYLQNYJSVSS-RWMBFGLXSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431667 640199403 /nfs/dbraw/zinc/19/94/03/640199403.db2.gz ZDETYLQNYJSVSS-RWMBFGLXSA-N 2 1 249.358 0.008 20 30 BCEDMP C=CC[C@@H]1CC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000934463073 641152360 /nfs/dbraw/zinc/15/23/60/641152360.db2.gz FKKJHUMBAQCPBG-VXGBXAGGSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CC[C@@H]1CC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000934463073 641152364 /nfs/dbraw/zinc/15/23/64/641152364.db2.gz FKKJHUMBAQCPBG-VXGBXAGGSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000934463073 641152367 /nfs/dbraw/zinc/15/23/67/641152367.db2.gz FKKJHUMBAQCPBG-VXGBXAGGSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000934463073 641152368 /nfs/dbraw/zinc/15/23/68/641152368.db2.gz FKKJHUMBAQCPBG-VXGBXAGGSA-N 2 1 212.337 0.949 20 30 BCEDMP C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001014954115 641211658 /nfs/dbraw/zinc/21/16/58/641211658.db2.gz JNJSBAFMJLGMIK-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCN1CC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001014954115 641211666 /nfs/dbraw/zinc/21/16/66/641211666.db2.gz JNJSBAFMJLGMIK-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971204809 642327084 /nfs/dbraw/zinc/32/70/84/642327084.db2.gz OYWUHVGNRUNBIK-OLZOCXBDSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000971204809 642327093 /nfs/dbraw/zinc/32/70/93/642327093.db2.gz OYWUHVGNRUNBIK-OLZOCXBDSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000971204809 642327100 /nfs/dbraw/zinc/32/71/00/642327100.db2.gz OYWUHVGNRUNBIK-OLZOCXBDSA-N 2 1 249.358 0.247 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCF ZINC000305106018 642643024 /nfs/dbraw/zinc/64/30/24/642643024.db2.gz BKZBKQNGALVAFN-SNVBAGLBSA-N 2 1 230.331 0.735 20 30 BCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968725331 642818128 /nfs/dbraw/zinc/81/81/28/642818128.db2.gz SCTHVFUNFQTCPC-JHJVBQTASA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015701895 642923953 /nfs/dbraw/zinc/92/39/53/642923953.db2.gz KGFSMZZRZNPAEY-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015701895 642923965 /nfs/dbraw/zinc/92/39/65/642923965.db2.gz KGFSMZZRZNPAEY-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015701895 642923976 /nfs/dbraw/zinc/92/39/76/642923976.db2.gz KGFSMZZRZNPAEY-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015701895 642923985 /nfs/dbraw/zinc/92/39/85/642923985.db2.gz KGFSMZZRZNPAEY-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001019153853 643020129 /nfs/dbraw/zinc/02/01/29/643020129.db2.gz NCUVVKYHFZNJBL-LBPRGKRZSA-N 2 1 248.330 0.568 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020169574 643060005 /nfs/dbraw/zinc/06/00/05/643060005.db2.gz BJBPSWLYMOSDRR-FDYHWXHSSA-N 2 1 249.358 0.197 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC)C1 ZINC001020250360 643062485 /nfs/dbraw/zinc/06/24/85/643062485.db2.gz DGOPMRPRJRUNAO-AVGNSLFASA-N 2 1 249.358 0.341 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC)C1 ZINC001020250360 643062489 /nfs/dbraw/zinc/06/24/89/643062489.db2.gz DGOPMRPRJRUNAO-AVGNSLFASA-N 2 1 249.358 0.341 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020591174 643221558 /nfs/dbraw/zinc/22/15/58/643221558.db2.gz GMSNGWUBBBMTLZ-FDYHWXHSSA-N 2 1 249.358 0.054 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001021052989 643396005 /nfs/dbraw/zinc/39/60/05/643396005.db2.gz CNAYWHGIPWQZSP-HAQNSBGRSA-N 2 1 246.314 0.062 20 30 BCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000921163 643799238 /nfs/dbraw/zinc/79/92/38/643799238.db2.gz XHLHZDFVVFZLTN-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001000921157 643799919 /nfs/dbraw/zinc/79/99/19/643799919.db2.gz XHLHZDFVVFZLTN-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000923288270 644320857 /nfs/dbraw/zinc/32/08/57/644320857.db2.gz ZCWREQJQFQRIGH-CYBMUJFWSA-N 2 1 241.379 0.151 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923286006 644321194 /nfs/dbraw/zinc/32/11/94/644321194.db2.gz KXMYHMPSHICNBP-NWDGAFQWSA-N 2 1 212.337 0.855 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923357804 644368290 /nfs/dbraw/zinc/36/82/90/644368290.db2.gz RWQNVSOPSOMMLS-NEPJUHHUSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923357804 644368292 /nfs/dbraw/zinc/36/82/92/644368292.db2.gz RWQNVSOPSOMMLS-NEPJUHHUSA-N 2 1 212.337 0.983 20 30 BCEDMP C[C@]1(C#N)CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394822 644401913 /nfs/dbraw/zinc/40/19/13/644401913.db2.gz FZMRIYRQBFMRRA-NWDGAFQWSA-N 2 1 235.331 0.600 20 30 BCEDMP C[C@]1(C#N)CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394822 644401920 /nfs/dbraw/zinc/40/19/20/644401920.db2.gz FZMRIYRQBFMRRA-NWDGAFQWSA-N 2 1 235.331 0.600 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923515356 644479072 /nfs/dbraw/zinc/47/90/72/644479072.db2.gz RKAGFGQXRHSQMV-IJLUTSLNSA-N 2 1 212.337 0.840 20 30 BCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000923552820 644495378 /nfs/dbraw/zinc/49/53/78/644495378.db2.gz ZZYRXHZXPMJFBT-VXGBXAGGSA-N 2 1 237.347 0.150 20 30 BCEDMP CC(C)[N@H+]1CC(=NNC2=[NH+][C@@H](C)CN2)[C@@H](C)C1 ZINC000779797733 644715034 /nfs/dbraw/zinc/71/50/34/644715034.db2.gz IQZVYJQCSPGTTE-UWVGGRQHSA-N 2 1 237.351 0.640 20 30 BCEDMP CC(C)[N@@H+]1CC(=NNC2=[NH+][C@@H](C)CN2)[C@@H](C)C1 ZINC000779797733 644715040 /nfs/dbraw/zinc/71/50/40/644715040.db2.gz IQZVYJQCSPGTTE-UWVGGRQHSA-N 2 1 237.351 0.640 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303990658 644862300 /nfs/dbraw/zinc/86/23/00/644862300.db2.gz YYAJKGVEXHRLJU-NSHDSACASA-N 2 1 240.351 0.188 20 30 BCEDMP CC(C)[N@@H+](C)CC[NH+]=C(N(C)C)N(C)C ZINC000303989801 644863279 /nfs/dbraw/zinc/86/32/79/644863279.db2.gz XWONDANPBHMXRX-UHFFFAOYSA-N 2 1 214.357 0.806 20 30 BCEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])N(C)C)C1 ZINC000170912030 711837844 /nfs/dbraw/zinc/83/78/44/711837844.db2.gz MBOGDJNUCKJKAN-NSHDSACASA-N 2 1 226.368 0.983 20 30 BCEDMP C[N@H+]1C[C@@H]2CN(CCOCCC#N)C[C@]2(C)C1 ZINC000702415815 712051421 /nfs/dbraw/zinc/05/14/21/712051421.db2.gz IILKFGGKLRBTNW-OLZOCXBDSA-N 2 1 237.347 0.800 20 30 BCEDMP C[NH+]1C[C@@H]2C[N@H+](CCOCCC#N)C[C@]2(C)C1 ZINC000702415815 712051425 /nfs/dbraw/zinc/05/14/25/712051425.db2.gz IILKFGGKLRBTNW-OLZOCXBDSA-N 2 1 237.347 0.800 20 30 BCEDMP C[NH+]1C[C@@H]2C[N@@H+](CCOCCC#N)C[C@]2(C)C1 ZINC000702415815 712051426 /nfs/dbraw/zinc/05/14/26/712051426.db2.gz IILKFGGKLRBTNW-OLZOCXBDSA-N 2 1 237.347 0.800 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001075106106 711445248 /nfs/dbraw/zinc/44/52/48/711445248.db2.gz QSVOBJXPVRJIJG-AVGNSLFASA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033661912 712011612 /nfs/dbraw/zinc/01/16/12/712011612.db2.gz NKEALMLVNZETBP-OLZOCXBDSA-N 2 1 249.358 0.104 20 30 BCEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000705374005 712130695 /nfs/dbraw/zinc/13/06/95/712130695.db2.gz FXMDJBDOMOPKJS-DGCLKSJQSA-N 2 1 239.363 0.971 20 30 BCEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000705374005 712130696 /nfs/dbraw/zinc/13/06/96/712130696.db2.gz FXMDJBDOMOPKJS-DGCLKSJQSA-N 2 1 239.363 0.971 20 30 BCEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000705374012 712130899 /nfs/dbraw/zinc/13/08/99/712130899.db2.gz FXMDJBDOMOPKJS-YPMHNXCESA-N 2 1 239.363 0.971 20 30 BCEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000705374012 712130901 /nfs/dbraw/zinc/13/09/01/712130901.db2.gz FXMDJBDOMOPKJS-YPMHNXCESA-N 2 1 239.363 0.971 20 30 BCEDMP C=CC[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000714997029 712503300 /nfs/dbraw/zinc/50/33/00/712503300.db2.gz XRRRYDGMVCDGFV-QWHCGFSZSA-N 2 1 223.364 0.931 20 30 BCEDMP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000717727684 712667730 /nfs/dbraw/zinc/66/77/30/712667730.db2.gz IXGIKUQQCYOKNI-ZDUSSCGKSA-N 2 1 236.359 0.977 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000187856591 136208198 /nfs/dbraw/zinc/20/81/98/136208198.db2.gz DGDKPUQMSRHGMV-UHFFFAOYSA-N 2 1 240.351 0.189 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000187856591 136208199 /nfs/dbraw/zinc/20/81/99/136208199.db2.gz DGDKPUQMSRHGMV-UHFFFAOYSA-N 2 1 240.351 0.189 20 30 BCEDMP NC(=[NH2+])NCCc1[nH+]ccn1Cc1ccccc1 ZINC000161493811 349465254 /nfs/dbraw/zinc/46/52/54/349465254.db2.gz GMNLTXOJOZFZAX-UHFFFAOYSA-N 2 1 243.314 0.747 20 30 BCEDMP C[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439144 348054197 /nfs/dbraw/zinc/05/41/97/348054197.db2.gz OXNSRCAFFRZWKB-NSHDSACASA-N 2 1 238.335 0.172 20 30 BCEDMP C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595904980 348396153 /nfs/dbraw/zinc/39/61/53/348396153.db2.gz NLWVMYLXCYYZKJ-RYUDHWBXSA-N 2 1 235.331 0.743 20 30 BCEDMP N#CCSCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308910651 349058653 /nfs/dbraw/zinc/05/86/53/349058653.db2.gz VEXUSVJFPWDZQF-PHIMTYICSA-N 2 1 225.361 0.784 20 30 BCEDMP C=CCCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000070593220 350544516 /nfs/dbraw/zinc/54/45/16/350544516.db2.gz KIOSIGQOXWAADC-UHFFFAOYSA-N 2 1 225.336 0.316 20 30 BCEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336734858 351899033 /nfs/dbraw/zinc/89/90/33/351899033.db2.gz NPQHSVVZHWVYKZ-UTUOFQBUSA-N 2 1 210.321 0.750 20 30 BCEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336734858 351899035 /nfs/dbraw/zinc/89/90/35/351899035.db2.gz NPQHSVVZHWVYKZ-UTUOFQBUSA-N 2 1 210.321 0.750 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251742389 353287964 /nfs/dbraw/zinc/28/79/64/353287964.db2.gz KXLFIZWVBNYRGT-OUAUKWLOSA-N 2 1 225.336 0.346 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251742389 353287967 /nfs/dbraw/zinc/28/79/67/353287967.db2.gz KXLFIZWVBNYRGT-OUAUKWLOSA-N 2 1 225.336 0.346 20 30 BCEDMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336769776 353297859 /nfs/dbraw/zinc/29/78/59/353297859.db2.gz VCGRKZVUDLZMHP-GARJFASQSA-N 2 1 211.309 0.191 20 30 BCEDMP COCC[NH+]1CCC([NH2+]CCCC#N)CC1 ZINC000336781366 353655318 /nfs/dbraw/zinc/65/53/18/353655318.db2.gz UMMGRCOXTKSLRF-UHFFFAOYSA-N 2 1 225.336 0.991 20 30 BCEDMP C=CCN1CC[C@@H]([NH2+][C@H](CN)C(C)(C)C)C1=O ZINC000420364908 192224286 /nfs/dbraw/zinc/22/42/86/192224286.db2.gz PNQJLNCUSKQATP-GHMZBOCLSA-N 2 1 239.363 0.736 20 30 BCEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(N)=O)CC1 ZINC000573556816 364858805 /nfs/dbraw/zinc/85/88/05/364858805.db2.gz FUFXAVFDBMQHJZ-UHFFFAOYSA-N 2 1 225.336 0.492 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840807 369312018 /nfs/dbraw/zinc/31/20/18/369312018.db2.gz FIMHDLIRHYVAFS-OUAUKWLOSA-N 2 1 225.336 0.204 20 30 BCEDMP C=CCOCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000304250882 384114033 /nfs/dbraw/zinc/11/40/33/384114033.db2.gz QXJLEBFTDVOFNE-LBPRGKRZSA-N 2 1 228.336 0.235 20 30 BCEDMP CC#CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174717828 384355948 /nfs/dbraw/zinc/35/59/48/384355948.db2.gz NYHFEGMTSFEWJP-UHFFFAOYSA-N 2 1 223.364 0.579 20 30 BCEDMP C=CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309018386 385372757 /nfs/dbraw/zinc/37/27/57/385372757.db2.gz VPNYXYQGTLYLGZ-RYUDHWBXSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309018386 385372760 /nfs/dbraw/zinc/37/27/60/385372760.db2.gz VPNYXYQGTLYLGZ-RYUDHWBXSA-N 2 1 212.337 0.997 20 30 BCEDMP C#CCNC(NC[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000262629094 533141353 /nfs/dbraw/zinc/14/13/53/533141353.db2.gz VGMLITHCRSQBFI-NSHDSACASA-N 2 1 234.347 0.269 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH2+]C)C2)C1=O ZINC000647836854 385881813 /nfs/dbraw/zinc/88/18/13/385881813.db2.gz DNKIDXZPRRHPTM-VXGBXAGGSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH2+]C)C2)C1=O ZINC000647836854 385881816 /nfs/dbraw/zinc/88/18/16/385881816.db2.gz DNKIDXZPRRHPTM-VXGBXAGGSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000647836852 385882338 /nfs/dbraw/zinc/88/23/38/385882338.db2.gz DNKIDXZPRRHPTM-NWDGAFQWSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000647836852 385882341 /nfs/dbraw/zinc/88/23/41/385882341.db2.gz DNKIDXZPRRHPTM-NWDGAFQWSA-N 2 1 237.347 0.315 20 30 BCEDMP COC[C@H](C)NC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000279987436 386766877 /nfs/dbraw/zinc/76/68/77/386766877.db2.gz LIKAJSLLSBRTER-NSHDSACASA-N 2 1 240.351 0.188 20 30 BCEDMP COC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000279987436 386766886 /nfs/dbraw/zinc/76/68/86/386766886.db2.gz LIKAJSLLSBRTER-NSHDSACASA-N 2 1 240.351 0.188 20 30 BCEDMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143805 387748559 /nfs/dbraw/zinc/74/85/59/387748559.db2.gz GGNJUXNBDODNBN-MNOVXSKESA-N 2 1 238.335 0.218 20 30 BCEDMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000424156209 387822506 /nfs/dbraw/zinc/82/25/06/387822506.db2.gz OCAINOLQQPYEIU-LLVKDONJSA-N 2 1 238.335 0.218 20 30 BCEDMP NC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195164812 387907915 /nfs/dbraw/zinc/90/79/15/387907915.db2.gz ZNTUDEJUSIAPNO-GFCCVEGCSA-N 2 1 232.331 0.782 20 30 BCEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000490555942 388240153 /nfs/dbraw/zinc/24/01/53/388240153.db2.gz NKCFVLRNCIMEMI-UHFFFAOYSA-N 2 1 249.358 0.106 20 30 BCEDMP C#CCNC(=O)CC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000491439812 388294600 /nfs/dbraw/zinc/29/46/00/388294600.db2.gz LYUGZHOARGBCFZ-AWEZNQCLSA-N 2 1 249.358 0.154 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(C)C ZINC000491566977 388304341 /nfs/dbraw/zinc/30/43/41/388304341.db2.gz IZTOHQUBSYCYBA-LBPRGKRZSA-N 2 1 239.363 0.398 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(C)C ZINC000491566977 388304342 /nfs/dbraw/zinc/30/43/42/388304342.db2.gz IZTOHQUBSYCYBA-LBPRGKRZSA-N 2 1 239.363 0.398 20 30 BCEDMP C#CC(C)(C)[N@H+](C)C[C@H](O)CN(C)CCOC ZINC000491703803 388312929 /nfs/dbraw/zinc/31/29/29/388312929.db2.gz IFILLLBDFVLLGZ-GFCCVEGCSA-N 2 1 242.363 0.269 20 30 BCEDMP C#CC(C)(C)N(C)C[C@H](O)C[N@@H+](C)CCOC ZINC000491703803 388312930 /nfs/dbraw/zinc/31/29/30/388312930.db2.gz IFILLLBDFVLLGZ-GFCCVEGCSA-N 2 1 242.363 0.269 20 30 BCEDMP C#CC(C)(C)N(C)C[C@H](O)C[N@H+](C)CCOC ZINC000491703803 388312931 /nfs/dbraw/zinc/31/29/31/388312931.db2.gz IFILLLBDFVLLGZ-GFCCVEGCSA-N 2 1 242.363 0.269 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000347348216 388522130 /nfs/dbraw/zinc/52/21/30/388522130.db2.gz UDLCGQUQQUSQQB-NEPJUHHUSA-N 2 1 237.347 0.505 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000347348216 388522131 /nfs/dbraw/zinc/52/21/31/388522131.db2.gz UDLCGQUQQUSQQB-NEPJUHHUSA-N 2 1 237.347 0.505 20 30 BCEDMP CC[C@H](CC#N)NC[C@H](O)C[N@@H+](C)CC ZINC000521063744 388561054 /nfs/dbraw/zinc/56/10/54/388561054.db2.gz YVOUOBZCDBZFPQ-MNOVXSKESA-N 2 1 213.325 0.581 20 30 BCEDMP CC[C@@H](CC#N)NC[C@@H](O)C[N@@H+](C)CC ZINC000521063747 388561416 /nfs/dbraw/zinc/56/14/16/388561416.db2.gz YVOUOBZCDBZFPQ-WDEREUQCSA-N 2 1 213.325 0.581 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000328175972 388581282 /nfs/dbraw/zinc/58/12/82/388581282.db2.gz LVTFYERYENLIJG-NWDGAFQWSA-N 2 1 210.321 0.709 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000328175972 388581284 /nfs/dbraw/zinc/58/12/84/388581284.db2.gz LVTFYERYENLIJG-NWDGAFQWSA-N 2 1 210.321 0.709 20 30 BCEDMP C#CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378314681 134245702 /nfs/dbraw/zinc/24/57/02/134245702.db2.gz HWBMJWOAMJNPEA-HUUCEWRRSA-N 2 1 249.402 0.968 20 30 BCEDMP Cc1[nH+]ccn1CCNC(=[NH2+])N(C)C1CC1 ZINC000262267147 135116575 /nfs/dbraw/zinc/11/65/75/135116575.db2.gz SCWAXLIRUMHQBR-UHFFFAOYSA-N 2 1 221.308 0.600 20 30 BCEDMP COC[C@H](C)NC(=[NH2+])NCCn1cc[nH+]c1C ZINC000264068702 135131182 /nfs/dbraw/zinc/13/11/82/135131182.db2.gz CIKHQINPVPVCCC-VIFPVBQESA-N 2 1 239.323 0.131 20 30 BCEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])N(C)C ZINC000264084117 135131918 /nfs/dbraw/zinc/13/19/18/135131918.db2.gz IMVSSZQYTFKHRZ-UHFFFAOYSA-N 2 1 209.297 0.458 20 30 BCEDMP Cc1[nH+]ccn1CCNC1=[NH+]C[C@@H](C)N1 ZINC000261534114 135165954 /nfs/dbraw/zinc/16/59/54/135165954.db2.gz LTFWFZDTNZPGOC-MRVPVSSYSA-N 2 1 207.281 0.129 20 30 BCEDMP CC[N@H+]1CC[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000261534324 135166711 /nfs/dbraw/zinc/16/67/11/135166711.db2.gz MALDPCGPYMGPGY-UWVGGRQHSA-N 2 1 210.325 0.266 20 30 BCEDMP C[C@H](CNC1=[NH+]CCN1C)[N@H+](C)C1CC1 ZINC000261536945 135172798 /nfs/dbraw/zinc/17/27/98/135172798.db2.gz UHRBKYCQAUMOKD-SECBINFHSA-N 2 1 210.325 0.360 20 30 BCEDMP C[C@H](CNC1=[NH+]CCN1C)[N@@H+](C)C1CC1 ZINC000261536945 135172799 /nfs/dbraw/zinc/17/27/99/135172799.db2.gz UHRBKYCQAUMOKD-SECBINFHSA-N 2 1 210.325 0.360 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261585821 135226871 /nfs/dbraw/zinc/22/68/71/135226871.db2.gz QQMKMLFVHOKBGV-ZYHUDNBSSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261585821 135226872 /nfs/dbraw/zinc/22/68/72/135226872.db2.gz QQMKMLFVHOKBGV-ZYHUDNBSSA-N 2 1 225.336 0.348 20 30 BCEDMP C[NH+]=C(NC1CC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261994370 135270493 /nfs/dbraw/zinc/27/04/93/135270493.db2.gz SBNJRNOFHSCAGH-BXKDBHETSA-N 2 1 236.363 0.797 20 30 BCEDMP C=CCNC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000262466583 135300907 /nfs/dbraw/zinc/30/09/07/135300907.db2.gz YDGGQIWWDGUZJX-VIFPVBQESA-N 2 1 219.292 0.288 20 30 BCEDMP C[C@H]1C[NH+]=C(NC[C@@H]2CCCC[N@H+]2C2CC2)N1 ZINC000262474244 135301368 /nfs/dbraw/zinc/30/13/68/135301368.db2.gz BQQHFWWZPZUFPM-JQWIXIFHSA-N 2 1 236.363 0.941 20 30 BCEDMP C[C@@H]1C[NH+]=C(NCC2=CC[N@@H+](C)CC2)N1 ZINC000262481065 135301929 /nfs/dbraw/zinc/30/19/29/135301929.db2.gz CYJYYEWCWDJHPJ-SECBINFHSA-N 2 1 208.309 0.186 20 30 BCEDMP C[C@@H]1CCC[N@@H+](CCNC2=[NH+]CCN2C)C1 ZINC000262648205 135311248 /nfs/dbraw/zinc/31/12/48/135311248.db2.gz JUOAKRDQHSKTAY-LLVKDONJSA-N 2 1 224.352 0.609 20 30 BCEDMP C[C@H]1CCC[N@@H+](CCNC2=[NH+]CCN2C)C1 ZINC000262648207 135311278 /nfs/dbraw/zinc/31/12/78/135311278.db2.gz JUOAKRDQHSKTAY-NSHDSACASA-N 2 1 224.352 0.609 20 30 BCEDMP C[N@@H+]1CC=C(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000263165032 135336575 /nfs/dbraw/zinc/33/65/75/135336575.db2.gz PVNGILVNHICYDP-UHFFFAOYSA-N 2 1 236.363 0.953 20 30 BCEDMP C[C@@H]1C[NH+]=C(NCC[C@H]2CCC[N@@H+](C)C2)N1 ZINC000263170184 135336938 /nfs/dbraw/zinc/33/69/38/135336938.db2.gz RXJTYJQNMFJIQU-GHMZBOCLSA-N 2 1 224.352 0.656 20 30 BCEDMP CCCNC(=[NH2+])NCCn1cc[nH+]c1C ZINC000264063362 135361803 /nfs/dbraw/zinc/36/18/03/135361803.db2.gz ABKMWMUBRNLIHC-UHFFFAOYSA-N 2 1 209.297 0.506 20 30 BCEDMP CC#CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334367676 135374728 /nfs/dbraw/zinc/37/47/28/135374728.db2.gz RJLZCODQLNMFPT-GJZGRUSLSA-N 2 1 249.402 0.968 20 30 BCEDMP CC#CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152175 412008120 /nfs/dbraw/zinc/00/81/20/412008120.db2.gz QERJCRBXHCMRIN-AWEZNQCLSA-N 2 1 236.359 0.931 20 30 BCEDMP CC#CCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152175 412008122 /nfs/dbraw/zinc/00/81/22/412008122.db2.gz QERJCRBXHCMRIN-AWEZNQCLSA-N 2 1 236.359 0.931 20 30 BCEDMP C=CC[N@H+](C)[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000121300892 324008922 /nfs/dbraw/zinc/00/89/22/324008922.db2.gz PIJYKSHWBONPOY-LBPRGKRZSA-N 2 1 239.363 0.657 20 30 BCEDMP C=CCN(C)[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000121300892 324008925 /nfs/dbraw/zinc/00/89/25/324008925.db2.gz PIJYKSHWBONPOY-LBPRGKRZSA-N 2 1 239.363 0.657 20 30 BCEDMP C=CC[N@H+](C)[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000121300726 324009113 /nfs/dbraw/zinc/00/91/13/324009113.db2.gz PIJYKSHWBONPOY-GFCCVEGCSA-N 2 1 239.363 0.657 20 30 BCEDMP C=CCN(C)[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000121300726 324009115 /nfs/dbraw/zinc/00/91/15/324009115.db2.gz PIJYKSHWBONPOY-GFCCVEGCSA-N 2 1 239.363 0.657 20 30 BCEDMP C=CCNC(=[NH2+])NCCC[N@H+](C)CCOC ZINC000066245511 534519295 /nfs/dbraw/zinc/51/92/95/534519295.db2.gz NNGZTJAVAQRVOO-UHFFFAOYSA-N 2 1 228.340 0.045 20 30 BCEDMP CC(C)(C)NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262485181 534664016 /nfs/dbraw/zinc/66/40/16/534664016.db2.gz UBLPYKCNYXQSCP-SECBINFHSA-N 2 1 235.335 0.901 20 30 BCEDMP CC(C)(C)NC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000262489298 534662773 /nfs/dbraw/zinc/66/27/73/534662773.db2.gz UIOMQXNGHPLEGB-UHFFFAOYSA-N 2 1 224.352 0.951 20 30 BCEDMP CC(C)(C)NC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000262489298 534662776 /nfs/dbraw/zinc/66/27/76/534662776.db2.gz UIOMQXNGHPLEGB-UHFFFAOYSA-N 2 1 224.352 0.951 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000264323741 534842897 /nfs/dbraw/zinc/84/28/97/534842897.db2.gz YDRIOENITKTIBG-VIFPVBQESA-N 2 1 210.325 0.559 20 30 BCEDMP CC(C)C[N@H+]1CC[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262679387 535133014 /nfs/dbraw/zinc/13/30/14/535133014.db2.gz VLFMTWFCIQXAJU-VXGBXAGGSA-N 2 1 238.379 0.902 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CC12CC2 ZINC000263066222 535597579 /nfs/dbraw/zinc/59/75/79/535597579.db2.gz OEKPPOGDSNGSLO-WDEREUQCSA-N 2 1 236.363 0.928 20 30 BCEDMP C[NH+](C)C[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000338995826 535964997 /nfs/dbraw/zinc/96/49/97/535964997.db2.gz IAFCMLXCHCUHKU-GFCCVEGCSA-N 2 1 225.336 0.800 20 30 BCEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000338995826 535965000 /nfs/dbraw/zinc/96/50/00/535965000.db2.gz IAFCMLXCHCUHKU-GFCCVEGCSA-N 2 1 225.336 0.800 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000854722618 588804180 /nfs/dbraw/zinc/80/41/80/588804180.db2.gz DGOBKIZLAJMDQB-ZDUSSCGKSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000854722618 588804181 /nfs/dbraw/zinc/80/41/81/588804181.db2.gz DGOBKIZLAJMDQB-ZDUSSCGKSA-N 2 1 249.358 0.104 20 30 BCEDMP Cc1[nH+]ccn1CCCNC1=[NH+]CCN1C ZINC000848987738 582818697 /nfs/dbraw/zinc/81/86/97/582818697.db2.gz WMLSPEDOROVWNZ-UHFFFAOYSA-N 2 1 221.308 0.473 20 30 BCEDMP CCNC(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC ZINC000849020501 582828290 /nfs/dbraw/zinc/82/82/90/582828290.db2.gz YCGBHVINJQZTND-SNVBAGLBSA-N 2 1 235.335 0.773 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC#N ZINC000849023230 582829927 /nfs/dbraw/zinc/82/99/27/582829927.db2.gz AANIFWQXWSLHQT-JTQLQIEISA-N 2 1 223.324 0.498 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)COC(C)=O ZINC000894640244 583498322 /nfs/dbraw/zinc/49/83/22/583498322.db2.gz ZZNYCWIUGCLIPD-NSHDSACASA-N 2 1 226.320 0.483 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)COC(C)=O ZINC000894640244 583498325 /nfs/dbraw/zinc/49/83/25/583498325.db2.gz ZZNYCWIUGCLIPD-NSHDSACASA-N 2 1 226.320 0.483 20 30 BCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000730098823 584123434 /nfs/dbraw/zinc/12/34/34/584123434.db2.gz RGOQJUMNWQCHJB-ZDUSSCGKSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000730098823 584123435 /nfs/dbraw/zinc/12/34/35/584123435.db2.gz RGOQJUMNWQCHJB-ZDUSSCGKSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C1CC1 ZINC000730098823 584123436 /nfs/dbraw/zinc/12/34/36/584123436.db2.gz RGOQJUMNWQCHJB-ZDUSSCGKSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C1CC1 ZINC000730098823 584123437 /nfs/dbraw/zinc/12/34/37/584123437.db2.gz RGOQJUMNWQCHJB-ZDUSSCGKSA-N 2 1 249.358 0.294 20 30 BCEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000903454167 584773546 /nfs/dbraw/zinc/77/35/46/584773546.db2.gz WGJIJJDEJBXEEO-CYBMUJFWSA-N 2 1 247.342 0.927 20 30 BCEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000903454167 584773547 /nfs/dbraw/zinc/77/35/47/584773547.db2.gz WGJIJJDEJBXEEO-CYBMUJFWSA-N 2 1 247.342 0.927 20 30 BCEDMP C=CC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491081 584780859 /nfs/dbraw/zinc/78/08/59/584780859.db2.gz UTCGICBONPJASU-UMNHJUIQSA-N 2 1 224.304 0.385 20 30 BCEDMP C=CC[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903747243 584794802 /nfs/dbraw/zinc/79/48/02/584794802.db2.gz QKZZBXTUHCQFDV-NEPJUHHUSA-N 2 1 210.321 0.873 20 30 BCEDMP C[C@]1(C#N)CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903767126 584797089 /nfs/dbraw/zinc/79/70/89/584797089.db2.gz UOOBWJCZDZNXBR-MCIONIFRSA-N 2 1 249.358 0.991 20 30 BCEDMP C[C@]1(C#N)CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903767126 584797090 /nfs/dbraw/zinc/79/70/90/584797090.db2.gz UOOBWJCZDZNXBR-MCIONIFRSA-N 2 1 249.358 0.991 20 30 BCEDMP C[C@]1(C#N)CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903767125 584797222 /nfs/dbraw/zinc/79/72/22/584797222.db2.gz UOOBWJCZDZNXBR-BFHYXJOUSA-N 2 1 249.358 0.991 20 30 BCEDMP C[C@]1(C#N)CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903767125 584797224 /nfs/dbraw/zinc/79/72/24/584797224.db2.gz UOOBWJCZDZNXBR-BFHYXJOUSA-N 2 1 249.358 0.991 20 30 BCEDMP C=CC[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903905352 584821350 /nfs/dbraw/zinc/82/13/50/584821350.db2.gz CSLRFTACHKVJQC-GFCCVEGCSA-N 2 1 236.363 0.964 20 30 BCEDMP C=CC[N@@H+](CC(=O)OCC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904310077 584862555 /nfs/dbraw/zinc/86/25/55/584862555.db2.gz VURDBOPFUJDACR-PHIMTYICSA-N 2 1 226.320 0.775 20 30 BCEDMP C=CC[N@H+](CC(=O)OCC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904310077 584862556 /nfs/dbraw/zinc/86/25/56/584862556.db2.gz VURDBOPFUJDACR-PHIMTYICSA-N 2 1 226.320 0.775 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)NCC[N@H+](CC)C1CC1 ZINC000764493956 585466743 /nfs/dbraw/zinc/46/67/43/585466743.db2.gz LBIPOWTYFXCSHW-UHFFFAOYSA-N 2 1 239.363 0.705 20 30 BCEDMP CN1CCN(N=C2CC[N@H+]3CCC[C@@H]23)CC1 ZINC000765545028 585489533 /nfs/dbraw/zinc/48/95/33/585489533.db2.gz ZBWYDOBOLAGNFH-LBPRGKRZSA-N 2 1 222.336 0.458 20 30 BCEDMP CN1CCN(N=C2CCN3CCC[C@@H]23)CC1 ZINC000765545028 585489534 /nfs/dbraw/zinc/48/95/34/585489534.db2.gz ZBWYDOBOLAGNFH-LBPRGKRZSA-N 2 1 222.336 0.458 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC000823187610 587207639 /nfs/dbraw/zinc/20/76/39/587207639.db2.gz INDJSWSKLJOIQW-UHFFFAOYSA-N 2 1 237.347 0.154 20 30 BCEDMP C#C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000847019390 588302151 /nfs/dbraw/zinc/30/21/51/588302151.db2.gz PRQWIKLPXVHIIC-OLZOCXBDSA-N 2 1 224.348 0.644 20 30 BCEDMP C#C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000847019390 588302152 /nfs/dbraw/zinc/30/21/52/588302152.db2.gz PRQWIKLPXVHIIC-OLZOCXBDSA-N 2 1 224.348 0.644 20 30 BCEDMP C#C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000847019390 588302153 /nfs/dbraw/zinc/30/21/53/588302153.db2.gz PRQWIKLPXVHIIC-OLZOCXBDSA-N 2 1 224.348 0.644 20 30 BCEDMP C#C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000847019390 588302154 /nfs/dbraw/zinc/30/21/54/588302154.db2.gz PRQWIKLPXVHIIC-OLZOCXBDSA-N 2 1 224.348 0.644 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C#N ZINC000849003858 588431689 /nfs/dbraw/zinc/43/16/89/588431689.db2.gz KHROODVZFNARNW-GHMZBOCLSA-N 2 1 237.351 0.744 20 30 BCEDMP C[C@@H]1CC[N@@H+](CC[NH+]=C(N(C)C)N(C)C)C1 ZINC000849004693 588432240 /nfs/dbraw/zinc/43/22/40/588432240.db2.gz WHGJKEYAAXKCDK-LLVKDONJSA-N 2 1 226.368 0.807 20 30 BCEDMP CN1CC[NH+]=C1NCCCC[N@@H+](C)C1CC1 ZINC000849039713 588447193 /nfs/dbraw/zinc/44/71/93/588447193.db2.gz OVBHPTQPTUDDRV-UHFFFAOYSA-N 2 1 224.352 0.752 20 30 BCEDMP CCNC(NC[C@@H]1CCC[N@@H+](C)C1)=[NH+]CC ZINC000108638498 588479422 /nfs/dbraw/zinc/47/94/22/588479422.db2.gz GYUXDYHHSXJEKU-NSHDSACASA-N 2 1 226.368 0.903 20 30 BCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000876728227 590233525 /nfs/dbraw/zinc/23/35/25/590233525.db2.gz YRNNGFBIBUVPAA-VHSXEESVSA-N 2 1 245.754 0.524 20 30 BCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000876728228 590233826 /nfs/dbraw/zinc/23/38/26/590233826.db2.gz YRNNGFBIBUVPAA-ZJUUUORDSA-N 2 1 245.754 0.524 20 30 BCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000876736021 590234262 /nfs/dbraw/zinc/23/42/62/590234262.db2.gz INSUECGQZXZPIV-SNVBAGLBSA-N 2 1 245.754 0.667 20 30 BCEDMP C#C[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877514235 590344388 /nfs/dbraw/zinc/34/43/88/590344388.db2.gz KTFSDFHBLSKBLQ-LLVKDONJSA-N 2 1 224.348 0.833 20 30 BCEDMP C#CCC[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000878865541 590633982 /nfs/dbraw/zinc/63/39/82/590633982.db2.gz JSMGVZNWCIBJTF-GFCCVEGCSA-N 2 1 210.321 0.398 20 30 BCEDMP C#CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865541 590633984 /nfs/dbraw/zinc/63/39/84/590633984.db2.gz JSMGVZNWCIBJTF-GFCCVEGCSA-N 2 1 210.321 0.398 20 30 BCEDMP C#CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865541 590633988 /nfs/dbraw/zinc/63/39/88/590633988.db2.gz JSMGVZNWCIBJTF-GFCCVEGCSA-N 2 1 210.321 0.398 20 30 BCEDMP CCOCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000104172204 634566611 /nfs/dbraw/zinc/56/66/11/634566611.db2.gz SIJZQJKSZWNFKK-LLVKDONJSA-N 2 1 242.367 0.269 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001022291375 631463676 /nfs/dbraw/zinc/46/36/76/631463676.db2.gz YLZVOZKSKGDYEJ-XQQFMLRXSA-N 2 1 249.358 0.341 20 30 BCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028314880 635649345 /nfs/dbraw/zinc/64/93/45/635649345.db2.gz FIDKUSQFTZWQMM-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028314880 635649352 /nfs/dbraw/zinc/64/93/52/635649352.db2.gz FIDKUSQFTZWQMM-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028314880 635649356 /nfs/dbraw/zinc/64/93/56/635649356.db2.gz FIDKUSQFTZWQMM-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP CCNC(NC[C@H]1CC[N@@H+](CC)C1)=[NH+]CC ZINC000155920666 632118699 /nfs/dbraw/zinc/11/86/99/632118699.db2.gz HOGGMDZACIWCMR-LLVKDONJSA-N 2 1 226.368 0.903 20 30 BCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028981170 635861022 /nfs/dbraw/zinc/86/10/22/635861022.db2.gz JDGTZKWNYNHZRS-QWHCGFSZSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028981170 635861025 /nfs/dbraw/zinc/86/10/25/635861025.db2.gz JDGTZKWNYNHZRS-QWHCGFSZSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028981170 635861029 /nfs/dbraw/zinc/86/10/29/635861029.db2.gz JDGTZKWNYNHZRS-QWHCGFSZSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCOC1 ZINC000327982106 633199150 /nfs/dbraw/zinc/19/91/50/633199150.db2.gz JAGPIBWYQOQHIW-GFCCVEGCSA-N 2 1 210.321 0.710 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCOC1 ZINC000327982106 633199153 /nfs/dbraw/zinc/19/91/53/633199153.db2.gz JAGPIBWYQOQHIW-GFCCVEGCSA-N 2 1 210.321 0.710 20 30 BCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000928561988 636108639 /nfs/dbraw/zinc/10/86/39/636108639.db2.gz BSXJGODEBXWBPD-CYBMUJFWSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000328237311 633747744 /nfs/dbraw/zinc/74/77/44/633747744.db2.gz GHASGLKEDQHVEA-UHFFFAOYSA-N 3 1 237.391 0.873 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]CC1CC[NH+](C)CC1 ZINC000328237311 633747751 /nfs/dbraw/zinc/74/77/51/633747751.db2.gz GHASGLKEDQHVEA-UHFFFAOYSA-N 3 1 237.391 0.873 20 30 BCEDMP C=CCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328573974 633779484 /nfs/dbraw/zinc/77/94/84/633779484.db2.gz WKXFXUPGYNICDM-OBPIAQAESA-N 2 1 222.332 0.775 20 30 BCEDMP CN(C(=[NH2+])NC[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000181464725 633917912 /nfs/dbraw/zinc/91/79/12/633917912.db2.gz SDOJEFBGYCGQKB-SECBINFHSA-N 2 1 210.325 0.347 20 30 BCEDMP CCC[N@H+]1CC[C@@H](CNC(NC)=[NH+]C)C1 ZINC000303258221 636306062 /nfs/dbraw/zinc/30/60/62/636306062.db2.gz KNRVZCJYLXMQKB-JTQLQIEISA-N 2 1 212.341 0.513 20 30 BCEDMP CC[N@H+]1CCCC[C@@H]1CNC(NC)=[NH+]C ZINC000304038832 636320778 /nfs/dbraw/zinc/32/07/78/636320778.db2.gz IDLDXTZFPXFFJR-SNVBAGLBSA-N 2 1 212.341 0.656 20 30 BCEDMP CCCC[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)COC ZINC000304755828 636324306 /nfs/dbraw/zinc/32/43/06/636324306.db2.gz NCWNTVIGBDCKOX-NSHDSACASA-N 2 1 244.383 0.658 20 30 BCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989661898 636870863 /nfs/dbraw/zinc/87/08/63/636870863.db2.gz NOLNFYCHNHJPML-ZDUSSCGKSA-N 2 1 249.358 0.106 20 30 BCEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989661898 636870870 /nfs/dbraw/zinc/87/08/70/636870870.db2.gz NOLNFYCHNHJPML-ZDUSSCGKSA-N 2 1 249.358 0.106 20 30 BCEDMP C#CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989661898 636870875 /nfs/dbraw/zinc/87/08/75/636870875.db2.gz NOLNFYCHNHJPML-ZDUSSCGKSA-N 2 1 249.358 0.106 20 30 BCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000989661898 636870878 /nfs/dbraw/zinc/87/08/78/636870878.db2.gz NOLNFYCHNHJPML-ZDUSSCGKSA-N 2 1 249.358 0.106 20 30 BCEDMP C#CC[NH2+]CC(=O)Nc1cccc(C[NH3+])c1 ZINC000911648073 639701797 /nfs/dbraw/zinc/70/17/97/639701797.db2.gz GPQXCRKWNOVMJJ-UHFFFAOYSA-N 2 1 217.272 0.307 20 30 BCEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305803922 641202107 /nfs/dbraw/zinc/20/21/07/641202107.db2.gz FPAHGUGTSNOPAM-SNVBAGLBSA-N 2 1 224.352 0.737 20 30 BCEDMP CC(C)(C)NC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000187856701 641730281 /nfs/dbraw/zinc/73/02/81/641730281.db2.gz RHFPJGNVATUWQF-UHFFFAOYSA-N 2 1 242.367 0.412 20 30 BCEDMP CC(C)(C)NC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000187856701 641730288 /nfs/dbraw/zinc/73/02/88/641730288.db2.gz RHFPJGNVATUWQF-UHFFFAOYSA-N 2 1 242.367 0.412 20 30 BCEDMP CC[N@H+](CCNC(=[NH2+])N(C)C1CC1)C1CC1 ZINC000305833323 642703354 /nfs/dbraw/zinc/70/33/54/642703354.db2.gz VNYLVFWDGJLKNX-UHFFFAOYSA-N 2 1 224.352 0.880 20 30 BCEDMP CC[N@@H+](CCNC(=[NH2+])N(C)C1CC1)C1CC1 ZINC000305833323 642703359 /nfs/dbraw/zinc/70/33/59/642703359.db2.gz VNYLVFWDGJLKNX-UHFFFAOYSA-N 2 1 224.352 0.880 20 30 BCEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015286106 642898717 /nfs/dbraw/zinc/89/87/17/642898717.db2.gz MTKQXQMSACYVNO-LBPRGKRZSA-N 2 1 248.330 0.568 20 30 BCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015286106 642898719 /nfs/dbraw/zinc/89/87/19/642898719.db2.gz MTKQXQMSACYVNO-LBPRGKRZSA-N 2 1 248.330 0.568 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001019383081 643030255 /nfs/dbraw/zinc/03/02/55/643030255.db2.gz VLQAHVLQZPJDFY-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001019652427 643039643 /nfs/dbraw/zinc/03/96/43/643039643.db2.gz MGWOAJFGBHWMMY-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923286005 644320580 /nfs/dbraw/zinc/32/05/80/644320580.db2.gz KXMYHMPSHICNBP-NEPJUHHUSA-N 2 1 212.337 0.855 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923331713 644359686 /nfs/dbraw/zinc/35/96/86/644359686.db2.gz NSOPEIWRLDJERX-SRVKXCTJSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923386054 644398851 /nfs/dbraw/zinc/39/88/51/644398851.db2.gz KPGVKTDOXWDXPC-JTQLQIEISA-N 2 1 200.326 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923386054 644398854 /nfs/dbraw/zinc/39/88/54/644398854.db2.gz KPGVKTDOXWDXPC-JTQLQIEISA-N 2 1 200.326 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392013 644399480 /nfs/dbraw/zinc/39/94/80/644399480.db2.gz RMASBTUDYKTDQD-CXQJBGSLSA-N 2 1 210.321 0.737 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392013 644399484 /nfs/dbraw/zinc/39/94/84/644399484.db2.gz RMASBTUDYKTDQD-CXQJBGSLSA-N 2 1 210.321 0.737 20 30 BCEDMP C[C@@]1(C#N)CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394821 644401147 /nfs/dbraw/zinc/40/11/47/644401147.db2.gz FZMRIYRQBFMRRA-NEPJUHHUSA-N 2 1 235.331 0.600 20 30 BCEDMP C[C@@]1(C#N)CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394821 644401150 /nfs/dbraw/zinc/40/11/50/644401150.db2.gz FZMRIYRQBFMRRA-NEPJUHHUSA-N 2 1 235.331 0.600 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000923410804 644411036 /nfs/dbraw/zinc/41/10/36/644411036.db2.gz JQXNOEZHVCPBAP-RWMBFGLXSA-N 2 1 242.363 0.752 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000923410804 644411038 /nfs/dbraw/zinc/41/10/38/644411038.db2.gz JQXNOEZHVCPBAP-RWMBFGLXSA-N 2 1 242.363 0.752 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923518256 644483291 /nfs/dbraw/zinc/48/32/91/644483291.db2.gz BWCZXLLBFHOFAJ-XQQFMLRXSA-N 2 1 249.358 0.315 20 30 BCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C(=C)C[NH+](C)C)C1 ZINC000923563995 644505157 /nfs/dbraw/zinc/50/51/57/644505157.db2.gz MODAZYJFYGDQQX-ZDUSSCGKSA-N 2 1 249.358 0.318 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=C)C[NH+](C)C)C1 ZINC000923563995 644505159 /nfs/dbraw/zinc/50/51/59/644505159.db2.gz MODAZYJFYGDQQX-ZDUSSCGKSA-N 2 1 249.358 0.318 20 30 BCEDMP C#C[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000248532987 644686430 /nfs/dbraw/zinc/68/64/30/644686430.db2.gz IDZXVIBLFATDAW-GHMZBOCLSA-N 2 1 222.336 0.397 20 30 BCEDMP COCCNC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000303265103 644813022 /nfs/dbraw/zinc/81/30/22/644813022.db2.gz TZNDPLNQWNGSFZ-NSHDSACASA-N 2 1 242.367 0.412 20 30 BCEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)COC)C1 ZINC000303886115 644853969 /nfs/dbraw/zinc/85/39/69/644853969.db2.gz KBZSVQCEBOBFCS-MNOVXSKESA-N 2 1 242.367 0.267 20 30 BCEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000304745928 644928913 /nfs/dbraw/zinc/92/89/13/644928913.db2.gz FJMRKNJGWYYGNQ-NSHDSACASA-N 2 1 226.368 0.807 20 30 BCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000928647882 645852713 /nfs/dbraw/zinc/85/27/13/645852713.db2.gz AIFWQDYOWXCFAV-ZDUSSCGKSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CC[C@@H](CO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925630905 646369522 /nfs/dbraw/zinc/36/95/22/646369522.db2.gz SJCBXCJIDLYNMT-MNOVXSKESA-N 2 1 212.337 0.901 20 30 BCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044291867 710822792 /nfs/dbraw/zinc/82/27/92/710822792.db2.gz GJLRNAGWWRYPQN-LBPRGKRZSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044291867 710822795 /nfs/dbraw/zinc/82/27/95/710822795.db2.gz GJLRNAGWWRYPQN-LBPRGKRZSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046190823 710855456 /nfs/dbraw/zinc/85/54/56/710855456.db2.gz XIGXZEIFDIKNKO-JSGCOSHPSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046190823 710855462 /nfs/dbraw/zinc/85/54/62/710855462.db2.gz XIGXZEIFDIKNKO-JSGCOSHPSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046190823 710855464 /nfs/dbraw/zinc/85/54/64/710855464.db2.gz XIGXZEIFDIKNKO-JSGCOSHPSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046190823 710855468 /nfs/dbraw/zinc/85/54/68/710855468.db2.gz XIGXZEIFDIKNKO-JSGCOSHPSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001027792831 711735444 /nfs/dbraw/zinc/73/54/44/711735444.db2.gz XCDATRGGSRPGBM-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027792828 711735556 /nfs/dbraw/zinc/73/55/56/711735556.db2.gz XCDATRGGSRPGBM-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032945230 711969270 /nfs/dbraw/zinc/96/92/70/711969270.db2.gz OTRWRORIHXWSRQ-OLZOCXBDSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032945230 711969272 /nfs/dbraw/zinc/96/92/72/711969272.db2.gz OTRWRORIHXWSRQ-OLZOCXBDSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032945230 711969273 /nfs/dbraw/zinc/96/92/73/711969273.db2.gz OTRWRORIHXWSRQ-OLZOCXBDSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032945230 711969274 /nfs/dbraw/zinc/96/92/74/711969274.db2.gz OTRWRORIHXWSRQ-OLZOCXBDSA-N 2 1 249.358 0.247 20 30 BCEDMP CNC(NC[C@H]1CCCC[N@@H+](C)C1)=[NH+]C ZINC000700814011 712006874 /nfs/dbraw/zinc/00/68/74/712006874.db2.gz SSNXLVFYMAWEIP-SNVBAGLBSA-N 2 1 212.341 0.513 20 30 BCEDMP C#CC[C@H](COC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000716826612 712576787 /nfs/dbraw/zinc/57/67/87/712576787.db2.gz AJIVLBKHKWSJKI-CHWSQXEVSA-N 2 1 240.347 0.071 20 30 BCEDMP C#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000809640689 712584656 /nfs/dbraw/zinc/58/46/56/712584656.db2.gz JELYBEDYXPXTPM-OAHLLOKOSA-N 2 1 244.338 0.824 20 30 BCEDMP C#Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000809640689 712584657 /nfs/dbraw/zinc/58/46/57/712584657.db2.gz JELYBEDYXPXTPM-OAHLLOKOSA-N 2 1 244.338 0.824 20 30 BCEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000717795728 712678048 /nfs/dbraw/zinc/67/80/48/712678048.db2.gz UUALOVDAGIRADL-SDDRHHMPSA-N 2 1 210.321 0.443 20 30 BCEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000717795728 712678050 /nfs/dbraw/zinc/67/80/50/712678050.db2.gz UUALOVDAGIRADL-SDDRHHMPSA-N 2 1 210.321 0.443 20 30 BCEDMP C#CC[C@@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000717839985 712686800 /nfs/dbraw/zinc/68/68/00/712686800.db2.gz CCFNWNUOZDXRHQ-LBPRGKRZSA-N 2 1 222.332 0.587 20 30 BCEDMP Cc1[nH+]ccn1CCCCNC1=[NH+]C[C@@H](C)N1 ZINC000285028268 136287487 /nfs/dbraw/zinc/28/74/87/136287487.db2.gz JRQABCZLROTRRM-SNVBAGLBSA-N 2 1 235.335 0.909 20 30 BCEDMP C#CCC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363472911 344134740 /nfs/dbraw/zinc/13/47/40/344134740.db2.gz VYFVZODSZHCNRR-OAHLLOKOSA-N 2 1 249.402 0.969 20 30 BCEDMP C=CCSCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381285027 345240741 /nfs/dbraw/zinc/24/07/41/345240741.db2.gz ZGKAODAUSMVEIO-GFCCVEGCSA-N 2 1 244.404 0.950 20 30 BCEDMP C=CCSCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000381285027 345240744 /nfs/dbraw/zinc/24/07/44/345240744.db2.gz ZGKAODAUSMVEIO-GFCCVEGCSA-N 2 1 244.404 0.950 20 30 BCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000641801416 362754874 /nfs/dbraw/zinc/75/48/74/362754874.db2.gz QMSBNEAJTDGYGC-GARJFASQSA-N 2 1 237.347 0.489 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1=O ZINC000580327434 347150990 /nfs/dbraw/zinc/15/09/90/347150990.db2.gz LRZFRTBHVTZEGM-UTUOFQBUSA-N 2 1 237.347 0.442 20 30 BCEDMP CNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000195522117 347457284 /nfs/dbraw/zinc/45/72/84/347457284.db2.gz NXFPOIMUBVXJDV-SNVBAGLBSA-N 2 1 236.319 0.951 20 30 BCEDMP CC(C)(C#N)C[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000598586686 348995940 /nfs/dbraw/zinc/99/59/40/348995940.db2.gz WPBADMCSOINVKT-GRYCIOLGSA-N 2 1 237.347 0.438 20 30 BCEDMP C=CCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336719245 350468764 /nfs/dbraw/zinc/46/87/64/350468764.db2.gz ZBHBLOHJSNWJHL-LBPRGKRZSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336719245 350468768 /nfs/dbraw/zinc/46/87/68/350468768.db2.gz ZBHBLOHJSNWJHL-LBPRGKRZSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336719245 350468772 /nfs/dbraw/zinc/46/87/72/350468772.db2.gz ZBHBLOHJSNWJHL-LBPRGKRZSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336719245 350468775 /nfs/dbraw/zinc/46/87/75/350468775.db2.gz ZBHBLOHJSNWJHL-LBPRGKRZSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000070593286 353259868 /nfs/dbraw/zinc/25/98/68/353259868.db2.gz AIRCOYGPONSLRP-LLVKDONJSA-N 2 1 225.336 0.349 20 30 BCEDMP C=CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000070593285 353259972 /nfs/dbraw/zinc/25/99/72/353259972.db2.gz AIRCOYGPONSLRP-NSHDSACASA-N 2 1 225.336 0.349 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167662181 134153956 /nfs/dbraw/zinc/15/39/56/134153956.db2.gz JPOWAACFWGUEQC-MNOVXSKESA-N 2 1 225.336 0.205 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167662181 134153957 /nfs/dbraw/zinc/15/39/57/134153957.db2.gz JPOWAACFWGUEQC-MNOVXSKESA-N 2 1 225.336 0.205 20 30 BCEDMP C=CCOCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761807 356679878 /nfs/dbraw/zinc/67/98/78/356679878.db2.gz FCBHUIXNIJDECR-ZDUSSCGKSA-N 2 1 242.363 0.578 20 30 BCEDMP C=CCOCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761807 356679881 /nfs/dbraw/zinc/67/98/81/356679881.db2.gz FCBHUIXNIJDECR-ZDUSSCGKSA-N 2 1 242.363 0.578 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308942841 491140839 /nfs/dbraw/zinc/14/08/39/491140839.db2.gz QYWYOSKQPSBOHG-TUAOUCFPSA-N 2 1 210.321 0.465 20 30 BCEDMP C=CC[C@@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000629547804 361431680 /nfs/dbraw/zinc/43/16/80/361431680.db2.gz GAIHYFRGYDTSHR-CYBMUJFWSA-N 2 1 223.364 0.790 20 30 BCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC000573953575 364942530 /nfs/dbraw/zinc/94/25/30/364942530.db2.gz FMSQTRCOEBPLSG-GFCCVEGCSA-N 2 1 228.336 0.234 20 30 BCEDMP CNC(NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)=[NH+]C ZINC000360454980 366923658 /nfs/dbraw/zinc/92/36/58/366923658.db2.gz NZFPEAPEFQMLOL-FGWVZKOKSA-N 2 1 224.352 0.654 20 30 BCEDMP C#CCNC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367849811 384176658 /nfs/dbraw/zinc/17/66/58/384176658.db2.gz ZIGYTJYBIGKZRW-GXTWGEPZSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069626840 384246443 /nfs/dbraw/zinc/24/64/43/384246443.db2.gz HUDMRRVTIVKKFA-WDEREUQCSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069626840 384246451 /nfs/dbraw/zinc/24/64/51/384246451.db2.gz HUDMRRVTIVKKFA-WDEREUQCSA-N 2 1 225.336 0.348 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N[C@H](C)CC ZINC000491384823 384653998 /nfs/dbraw/zinc/65/39/98/384653998.db2.gz PTDFHYXFMVGAOI-LLVKDONJSA-N 2 1 224.352 0.854 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1C ZINC000297451272 384810602 /nfs/dbraw/zinc/81/06/02/384810602.db2.gz SMVMWWMQGDRIEF-UHFFFAOYSA-N 2 1 248.330 0.263 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1C ZINC000297451272 384810613 /nfs/dbraw/zinc/81/06/13/384810613.db2.gz SMVMWWMQGDRIEF-UHFFFAOYSA-N 2 1 248.330 0.263 20 30 BCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000644549099 384949878 /nfs/dbraw/zinc/94/98/78/384949878.db2.gz RVACJKQDYJVYTR-LLVKDONJSA-N 2 1 212.337 0.997 20 30 BCEDMP CN(C)C(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000170912931 385455952 /nfs/dbraw/zinc/45/59/52/385455952.db2.gz CLCVQWXSESPGDS-UHFFFAOYSA-N 2 1 246.358 0.921 20 30 BCEDMP CN(C)C(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000170912931 385455955 /nfs/dbraw/zinc/45/59/55/385455955.db2.gz CLCVQWXSESPGDS-UHFFFAOYSA-N 2 1 246.358 0.921 20 30 BCEDMP CC[N@H+](C)CCNC(=[NH2+])Nc1ccccn1 ZINC000170911954 385456941 /nfs/dbraw/zinc/45/69/41/385456941.db2.gz PHGCCEUWAHLWCP-UHFFFAOYSA-N 2 1 221.308 0.760 20 30 BCEDMP CC[N@@H+](C)CCNC(=[NH2+])Nc1ccccn1 ZINC000170911954 385456943 /nfs/dbraw/zinc/45/69/43/385456943.db2.gz PHGCCEUWAHLWCP-UHFFFAOYSA-N 2 1 221.308 0.760 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000647830504 385873041 /nfs/dbraw/zinc/87/30/41/385873041.db2.gz LZYGGTXMJUOZGG-WDEREUQCSA-N 2 1 223.320 0.054 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000647830504 385873046 /nfs/dbraw/zinc/87/30/46/385873046.db2.gz LZYGGTXMJUOZGG-WDEREUQCSA-N 2 1 223.320 0.054 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000392759352 387279908 /nfs/dbraw/zinc/27/99/08/387279908.db2.gz KAQUEXZTZLNOAW-STQMWFEESA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000392759352 387279911 /nfs/dbraw/zinc/27/99/11/387279911.db2.gz KAQUEXZTZLNOAW-STQMWFEESA-N 2 1 224.348 0.956 20 30 BCEDMP NC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195164827 387907624 /nfs/dbraw/zinc/90/76/24/387907624.db2.gz ZNTUDEJUSIAPNO-LBPRGKRZSA-N 2 1 232.331 0.782 20 30 BCEDMP C#CCN(C[C@@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000491385917 388290830 /nfs/dbraw/zinc/29/08/30/388290830.db2.gz STQASXBLCVOBDT-ZDUSSCGKSA-N 2 1 240.347 0.023 20 30 BCEDMP C#CC[N@@H+](C[C@@H](O)CN(C)CCOC)C1CC1 ZINC000491385917 388290832 /nfs/dbraw/zinc/29/08/32/388290832.db2.gz STQASXBLCVOBDT-ZDUSSCGKSA-N 2 1 240.347 0.023 20 30 BCEDMP C#CC[N@H+](C[C@@H](O)CN(C)CCOC)C1CC1 ZINC000491385917 388290834 /nfs/dbraw/zinc/29/08/34/388290834.db2.gz STQASXBLCVOBDT-ZDUSSCGKSA-N 2 1 240.347 0.023 20 30 BCEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000491546189 388302961 /nfs/dbraw/zinc/30/29/61/388302961.db2.gz UVVQTPAEVXTKNU-UHFFFAOYSA-N 2 1 249.358 0.342 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NCCCC ZINC000491664256 388309131 /nfs/dbraw/zinc/30/91/31/388309131.db2.gz OBYYHZDFPQDLGC-UHFFFAOYSA-N 2 1 224.352 0.856 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])N1CCCCC1 ZINC000491748004 388317278 /nfs/dbraw/zinc/31/72/78/388317278.db2.gz XGPONDZYGAEASX-UHFFFAOYSA-N 2 1 236.363 0.952 20 30 BCEDMP C#CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000491043280 388267329 /nfs/dbraw/zinc/26/73/29/388267329.db2.gz AEVPNIZIWLMQSI-UHFFFAOYSA-N 2 1 249.358 0.248 20 30 BCEDMP C#CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000491043280 388267332 /nfs/dbraw/zinc/26/73/32/388267332.db2.gz AEVPNIZIWLMQSI-UHFFFAOYSA-N 2 1 249.358 0.248 20 30 BCEDMP N#CCC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000516771069 388517445 /nfs/dbraw/zinc/51/74/45/388517445.db2.gz YGQHSYQZXFQDMC-LBPRGKRZSA-N 2 1 225.336 0.727 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000328285203 388590666 /nfs/dbraw/zinc/59/06/66/388590666.db2.gz QECSBXAEQQVHOP-OLZOCXBDSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000328285203 388590667 /nfs/dbraw/zinc/59/06/67/388590667.db2.gz QECSBXAEQQVHOP-OLZOCXBDSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126491992 388696041 /nfs/dbraw/zinc/69/60/41/388696041.db2.gz HOMHBUXVXPPFLG-UHFFFAOYSA-N 2 1 223.364 0.577 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000565950504 388980209 /nfs/dbraw/zinc/98/02/09/388980209.db2.gz GCQSYAQYDBGZSL-WCQYABFASA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000565950504 388980212 /nfs/dbraw/zinc/98/02/12/388980212.db2.gz GCQSYAQYDBGZSL-WCQYABFASA-N 2 1 237.347 0.444 20 30 BCEDMP C#C[C@@H](CC)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000262546617 533236436 /nfs/dbraw/zinc/23/64/36/533236436.db2.gz STOTUXZIRRWNMM-RYUDHWBXSA-N 2 1 236.363 0.787 20 30 BCEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261996060 533511300 /nfs/dbraw/zinc/51/13/00/533511300.db2.gz NUHSJYHHIKHMLZ-NSHDSACASA-N 2 1 236.363 0.951 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368917794 134220593 /nfs/dbraw/zinc/22/05/93/134220593.db2.gz SJDWFSHZOIVOBE-WDEREUQCSA-N 2 1 238.335 0.150 20 30 BCEDMP CN(C)C(=[NH+]CC[N@@H+](C)C1CC1)N(C)C ZINC000262018706 135114123 /nfs/dbraw/zinc/11/41/23/135114123.db2.gz XCOMUBPXJVIMNL-UHFFFAOYSA-N 2 1 212.341 0.560 20 30 BCEDMP CN(C(=[NH2+])NCC1=CC[N@@H+](C)CC1)C1CC1 ZINC000262269499 135117014 /nfs/dbraw/zinc/11/70/14/135117014.db2.gz STIIFZQKWNCZJK-UHFFFAOYSA-N 2 1 222.336 0.657 20 30 BCEDMP C[NH+]=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N(C)C ZINC000262818274 135122735 /nfs/dbraw/zinc/12/27/35/135122735.db2.gz SACZKNXCXNAXRU-SECBINFHSA-N 2 1 210.325 0.360 20 30 BCEDMP C[NH+]=C(N[C@@H]1CC[N@H+](C2CC2)C1)N(C)C ZINC000262818274 135122736 /nfs/dbraw/zinc/12/27/36/135122736.db2.gz SACZKNXCXNAXRU-SECBINFHSA-N 2 1 210.325 0.360 20 30 BCEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[NH+](C)C ZINC000264044542 135130346 /nfs/dbraw/zinc/13/03/46/135130346.db2.gz JWFXDDNNUHLJLO-SNVBAGLBSA-N 2 1 238.335 0.895 20 30 BCEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C)[NH+](C)C ZINC000264044541 135130351 /nfs/dbraw/zinc/13/03/51/135130351.db2.gz JWFXDDNNUHLJLO-JTQLQIEISA-N 2 1 238.335 0.895 20 30 BCEDMP CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000264128476 135134920 /nfs/dbraw/zinc/13/49/20/135134920.db2.gz XEFNMGJUIGNFOL-UHFFFAOYSA-N 2 1 244.302 0.610 20 30 BCEDMP Cc1[nH+]ccn1CCNC1=[NH+]CCN1C ZINC000261534756 135167546 /nfs/dbraw/zinc/16/75/46/135167546.db2.gz MYRXFLFHAQUGIV-UHFFFAOYSA-N 2 1 207.281 0.083 20 30 BCEDMP C[C@H](CNC1=[NH+]C[C@@H](C)N1)[N@@H+](C)C1CC1 ZINC000261538357 135175527 /nfs/dbraw/zinc/17/55/27/135175527.db2.gz XVBYDHJRKHJZES-RKDXNWHRSA-N 2 1 210.325 0.406 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163838062 135208944 /nfs/dbraw/zinc/20/89/44/135208944.db2.gz YQXARWAGKVBMHP-WOPDTQHZSA-N 2 1 239.363 0.594 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163838062 135208946 /nfs/dbraw/zinc/20/89/46/135208946.db2.gz YQXARWAGKVBMHP-WOPDTQHZSA-N 2 1 239.363 0.594 20 30 BCEDMP Cc1[nH+]ccn1CCNC(=[NH2+])NCC(C)C ZINC000261587253 135228404 /nfs/dbraw/zinc/22/84/04/135228404.db2.gz RPELCZQLSCNZCQ-UHFFFAOYSA-N 2 1 223.324 0.752 20 30 BCEDMP CC[N@H+]1CC[C@@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000262000464 135271355 /nfs/dbraw/zinc/27/13/55/135271355.db2.gz PLKKKJJOYVWYAO-NSHDSACASA-N 2 1 226.368 0.807 20 30 BCEDMP CN(C)C(=[NH2+])NC[C@]1([NH+](C)C)CCSC1 ZINC000262431383 135297239 /nfs/dbraw/zinc/29/72/39/135297239.db2.gz FCQJLHKJCRLQQU-SNVBAGLBSA-N 2 1 230.381 0.300 20 30 BCEDMP CN(C(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000262460927 135300212 /nfs/dbraw/zinc/30/02/12/135300212.db2.gz JZYLZVBOYMIDQG-VIFPVBQESA-N 2 1 233.319 0.607 20 30 BCEDMP C[C@@H]1CCCC[N@H+]1CCNC1=[NH+]CCN1C ZINC000262472910 135301335 /nfs/dbraw/zinc/30/13/35/135301335.db2.gz BNXCAOWCAPLPKK-LLVKDONJSA-N 2 1 224.352 0.752 20 30 BCEDMP CCC[N@H+]1CCC[C@H]1CNC1=[NH+]CCN1C ZINC000262640576 135310063 /nfs/dbraw/zinc/31/00/63/135310063.db2.gz HRBGZFCJSIUQPC-NSHDSACASA-N 2 1 224.352 0.752 20 30 BCEDMP C[C@H]1C[NH+]=C(NC[C@@]2([NH+](C)C)CCSC2)N1 ZINC000262661779 135311921 /nfs/dbraw/zinc/31/19/21/135311921.db2.gz NBFYJTUEWVBUNK-ONGXEEELSA-N 2 1 242.392 0.361 20 30 BCEDMP CC[N@@H+](CCNC1=[NH+]C[C@@H](C)N1)C(C)C ZINC000262682491 135312829 /nfs/dbraw/zinc/31/28/29/135312829.db2.gz WUVRYLCUOTWTGY-SNVBAGLBSA-N 2 1 212.341 0.654 20 30 BCEDMP COCC[N@H+]1CCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262681248 135313190 /nfs/dbraw/zinc/31/31/90/135313190.db2.gz WFGYJLFMAUIDOG-QWRGUYRKSA-N 2 1 240.351 0.035 20 30 BCEDMP CN1CC[NH+]=C1NCC1=CC[N@@H+](C)CC1 ZINC000262687388 135313588 /nfs/dbraw/zinc/31/35/88/135313588.db2.gz YXEMMEWEXRDVBQ-UHFFFAOYSA-N 2 1 208.309 0.139 20 30 BCEDMP C[NH+]=C(NC1CCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262820056 135319862 /nfs/dbraw/zinc/31/98/62/135319862.db2.gz XVUKHRYLGHHBOA-NSHDSACASA-N 2 1 236.363 0.941 20 30 BCEDMP C[NH+]=C(NC1CCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262820056 135319863 /nfs/dbraw/zinc/31/98/63/135319863.db2.gz XVUKHRYLGHHBOA-NSHDSACASA-N 2 1 236.363 0.941 20 30 BCEDMP C[N@@H+]1CC=C(CNC(=[NH2+])NC2CC2)CC1 ZINC000263155561 135336626 /nfs/dbraw/zinc/33/66/26/135336626.db2.gz MZDRRBZWYCQVJJ-UHFFFAOYSA-N 2 1 208.309 0.315 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCC1([NH+](C)C)CC1 ZINC000263203535 135339321 /nfs/dbraw/zinc/33/93/21/135339321.db2.gz XSGACBADFCKVPQ-UHFFFAOYSA-N 2 1 210.325 0.561 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123698544 166386264 /nfs/dbraw/zinc/38/62/64/166386264.db2.gz MIVGDSLTJXYQQU-RYUDHWBXSA-N 2 1 241.379 0.982 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123698544 166386266 /nfs/dbraw/zinc/38/62/66/166386266.db2.gz MIVGDSLTJXYQQU-RYUDHWBXSA-N 2 1 241.379 0.982 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000133644554 325306226 /nfs/dbraw/zinc/30/62/26/325306226.db2.gz DQSFSSMYKKWQIA-GRYCIOLGSA-N 2 1 239.363 0.607 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000133644554 325306229 /nfs/dbraw/zinc/30/62/29/325306229.db2.gz DQSFSSMYKKWQIA-GRYCIOLGSA-N 2 1 239.363 0.607 20 30 BCEDMP C=CC[C@H](CO)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000568391932 326353516 /nfs/dbraw/zinc/35/35/16/326353516.db2.gz VQSDSMRSLPJUPU-WCQYABFASA-N 2 1 242.363 0.216 20 30 BCEDMP C=CC[C@H](CO)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000568391932 326353518 /nfs/dbraw/zinc/35/35/18/326353518.db2.gz VQSDSMRSLPJUPU-WCQYABFASA-N 2 1 242.363 0.216 20 30 BCEDMP C=CC[C@@H](CO)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000568391931 326353556 /nfs/dbraw/zinc/35/35/56/326353556.db2.gz VQSDSMRSLPJUPU-DGCLKSJQSA-N 2 1 242.363 0.216 20 30 BCEDMP C=CC[C@@H](CO)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000568391931 326353557 /nfs/dbraw/zinc/35/35/57/326353557.db2.gz VQSDSMRSLPJUPU-DGCLKSJQSA-N 2 1 242.363 0.216 20 30 BCEDMP C#C[C@@H]1COCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000491670983 527310817 /nfs/dbraw/zinc/31/08/17/527310817.db2.gz WBOSCDDDURRINQ-FRRDWIJNSA-N 2 1 222.332 0.709 20 30 BCEDMP CC(C)CNC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000262492923 535064389 /nfs/dbraw/zinc/06/43/89/535064389.db2.gz YFGZJFJGHQDFOF-JTQLQIEISA-N 2 1 235.335 0.758 20 30 BCEDMP CC(C)C[N@H+]1CC[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000262675359 535126704 /nfs/dbraw/zinc/12/67/04/535126704.db2.gz SYIFDZXEGPVVKB-LBPRGKRZSA-N 2 1 238.379 0.855 20 30 BCEDMP CCC[N@@H+](CC)CCNC1=[NH+]C[C@H](C)N1 ZINC000261534078 535297382 /nfs/dbraw/zinc/29/73/82/535297382.db2.gz LSLMRYRRTCUIFF-JTQLQIEISA-N 2 1 212.341 0.656 20 30 BCEDMP CN1CCC[NH+]=C1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000263133647 536362252 /nfs/dbraw/zinc/36/22/52/536362252.db2.gz NIVZQQVOBWPSFI-LBPRGKRZSA-N 2 1 238.379 0.999 20 30 BCEDMP C[N@H+]1CCC[C@H](CCNC(=[NH2+])N2CCC2)C1 ZINC000263130303 536382352 /nfs/dbraw/zinc/38/23/52/536382352.db2.gz NAIQIAOWDRZTEH-LLVKDONJSA-N 2 1 224.352 0.739 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N(C)C1CC1 ZINC000491633224 566452047 /nfs/dbraw/zinc/45/20/47/566452047.db2.gz POYOTBZVQUOEDC-UHFFFAOYSA-N 2 1 222.336 0.560 20 30 BCEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]cc1CO ZINC000893989558 583270592 /nfs/dbraw/zinc/27/05/92/583270592.db2.gz ZBBMRZINNHRVRU-UHFFFAOYSA-N 2 1 233.315 0.363 20 30 BCEDMP C#C[C@H]1COCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894865780 583536738 /nfs/dbraw/zinc/53/67/38/583536738.db2.gz MGESKLGXTKJCAW-ZDUSSCGKSA-N 2 1 222.332 0.662 20 30 BCEDMP C#C[C@H]1COCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894865780 583536740 /nfs/dbraw/zinc/53/67/40/583536740.db2.gz MGESKLGXTKJCAW-ZDUSSCGKSA-N 2 1 222.332 0.662 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2CO)C1 ZINC000895200251 583623950 /nfs/dbraw/zinc/62/39/50/583623950.db2.gz FGIZSHBGCYXFEF-ZDUSSCGKSA-N 2 1 245.326 0.505 20 30 BCEDMP CNC(NC[C@H]1CC[N@H+]1C1CCOCC1)=[NH+]C ZINC000899262372 584190456 /nfs/dbraw/zinc/19/04/56/584190456.db2.gz JXEBVJNXAIOCFT-LLVKDONJSA-N 2 1 240.351 0.035 20 30 BCEDMP C[C@]1(C#N)CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903767127 584797933 /nfs/dbraw/zinc/79/79/33/584797933.db2.gz UOOBWJCZDZNXBR-MGPQQGTHSA-N 2 1 249.358 0.991 20 30 BCEDMP C[C@]1(C#N)CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903767127 584797934 /nfs/dbraw/zinc/79/79/34/584797934.db2.gz UOOBWJCZDZNXBR-MGPQQGTHSA-N 2 1 249.358 0.991 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)C1=O ZINC000904342716 584867139 /nfs/dbraw/zinc/86/71/39/584867139.db2.gz OGEFCZJSBHWDFH-GRYCIOLGSA-N 2 1 237.347 0.442 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000753029350 585252442 /nfs/dbraw/zinc/25/24/42/585252442.db2.gz NAFAWIXKFFGAEE-LBPRGKRZSA-N 2 1 241.379 0.949 20 30 BCEDMP CC[N@H+]1CCC(=NNC2=[NH+][C@H](C)CN2)[C@H](C)C1 ZINC000779793851 585764115 /nfs/dbraw/zinc/76/41/15/585764115.db2.gz BFCMCDNVPRYUOY-NXEZZACHSA-N 2 1 237.351 0.641 20 30 BCEDMP CC[N@H+]1CCC(=NNC2=[NH+][C@@H](C)CN2)[C@@H](C)C1 ZINC000779793853 585764122 /nfs/dbraw/zinc/76/41/22/585764122.db2.gz BFCMCDNVPRYUOY-UWVGGRQHSA-N 2 1 237.351 0.641 20 30 BCEDMP CC[N@H+]1CCC(=NNC2=[NH+][C@@H](C)CN2)[C@H](C)C1 ZINC000779793857 585764149 /nfs/dbraw/zinc/76/41/49/585764149.db2.gz BFCMCDNVPRYUOY-ZJUUUORDSA-N 2 1 237.351 0.641 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000791348518 585978480 /nfs/dbraw/zinc/97/84/80/585978480.db2.gz PRWNOQVAFVZSRG-UHFFFAOYSA-N 2 1 237.347 0.411 20 30 BCEDMP CC[N@H+]1CC[C@@H](CNC(NC2CC2)=[NH+]C)C1 ZINC000848992572 588427811 /nfs/dbraw/zinc/42/78/11/588427811.db2.gz JSTIEPLRXONIAV-JTQLQIEISA-N 2 1 224.352 0.656 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C#N ZINC000849003859 588431841 /nfs/dbraw/zinc/43/18/41/588431841.db2.gz KHROODVZFNARNW-MNOVXSKESA-N 2 1 237.351 0.744 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C#N)CC1 ZINC000849026098 588440788 /nfs/dbraw/zinc/44/07/88/588440788.db2.gz VHMMMPIBWJGPHZ-LLVKDONJSA-N 2 1 249.362 0.888 20 30 BCEDMP C#CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708180 588697315 /nfs/dbraw/zinc/69/73/15/588697315.db2.gz SNYQNKSDNAUSMA-CYBMUJFWSA-N 2 1 222.332 0.541 20 30 BCEDMP C#CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852708180 588697316 /nfs/dbraw/zinc/69/73/16/588697316.db2.gz SNYQNKSDNAUSMA-CYBMUJFWSA-N 2 1 222.332 0.541 20 30 BCEDMP CC[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852855875 588708436 /nfs/dbraw/zinc/70/84/36/588708436.db2.gz IRJLEUWOACWKEX-UHFFFAOYSA-N 2 1 249.358 0.154 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864465766 589370761 /nfs/dbraw/zinc/37/07/61/589370761.db2.gz BUPUEVYVXJFCID-QWRGUYRKSA-N 2 1 222.336 0.464 20 30 BCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000876733630 590232826 /nfs/dbraw/zinc/23/28/26/590232826.db2.gz CYFSORWFUUVVHG-ZJUUUORDSA-N 2 1 245.754 0.667 20 30 BCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000876806217 590242517 /nfs/dbraw/zinc/24/25/17/590242517.db2.gz LOGFSNGOHHTEOM-SNVBAGLBSA-N 2 1 245.754 0.620 20 30 BCEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCOCCC#N)CC[C@H]21 ZINC000879578421 590815353 /nfs/dbraw/zinc/81/53/53/590815353.db2.gz DWEOYHLQBUMKCT-CHWSQXEVSA-N 2 1 237.347 0.943 20 30 BCEDMP C[N@H+]1CC[C@@H]2C[NH+](CCOCCC#N)CC[C@H]21 ZINC000879578421 590815356 /nfs/dbraw/zinc/81/53/56/590815356.db2.gz DWEOYHLQBUMKCT-CHWSQXEVSA-N 2 1 237.347 0.943 20 30 BCEDMP C[NH+]1CC[C@@H]2C[N@H+](CCOCCC#N)CC[C@H]21 ZINC000879578421 590815358 /nfs/dbraw/zinc/81/53/58/590815358.db2.gz DWEOYHLQBUMKCT-CHWSQXEVSA-N 2 1 237.347 0.943 20 30 BCEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCCC#N)CC[C@H]21 ZINC000879578421 590815359 /nfs/dbraw/zinc/81/53/59/590815359.db2.gz DWEOYHLQBUMKCT-CHWSQXEVSA-N 2 1 237.347 0.943 20 30 BCEDMP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579257 590816664 /nfs/dbraw/zinc/81/66/64/590816664.db2.gz KQCWDFOPOLPOLB-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579257 590816667 /nfs/dbraw/zinc/81/66/67/590816667.db2.gz KQCWDFOPOLPOLB-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579257 590816670 /nfs/dbraw/zinc/81/66/70/590816670.db2.gz KQCWDFOPOLPOLB-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579257 590816672 /nfs/dbraw/zinc/81/66/72/590816672.db2.gz KQCWDFOPOLPOLB-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593195 590824543 /nfs/dbraw/zinc/82/45/43/590824543.db2.gz VSHIWVQWXNENAS-UHFFFAOYSA-N 2 1 235.375 0.722 20 30 BCEDMP N#CC1(C[C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000885960573 592116280 /nfs/dbraw/zinc/11/62/80/592116280.db2.gz NDZIRYNKMVCKJQ-XQQFMLRXSA-N 2 1 249.358 0.582 20 30 BCEDMP C#CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000886365744 592220243 /nfs/dbraw/zinc/22/02/43/592220243.db2.gz OQVRMULCMRFLKA-OCCSQVGLSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000886365744 592220244 /nfs/dbraw/zinc/22/02/44/592220244.db2.gz OQVRMULCMRFLKA-OCCSQVGLSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000886365744 592220247 /nfs/dbraw/zinc/22/02/47/592220247.db2.gz OQVRMULCMRFLKA-OCCSQVGLSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000886365744 592220248 /nfs/dbraw/zinc/22/02/48/592220248.db2.gz OQVRMULCMRFLKA-OCCSQVGLSA-N 2 1 236.359 0.787 20 30 BCEDMP CCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104152501 592602236 /nfs/dbraw/zinc/60/22/36/592602236.db2.gz KEPLWHIPDJDWTQ-UHFFFAOYSA-N 2 1 242.367 0.413 20 30 BCEDMP C[C@@H]1C[C@H]1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104174138 592603465 /nfs/dbraw/zinc/60/34/65/592603465.db2.gz GQEQNASLCUKODR-GHMZBOCLSA-N 2 1 240.351 0.021 20 30 BCEDMP CCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000104172178 634567789 /nfs/dbraw/zinc/56/77/89/634567789.db2.gz DDVMUHMNQTWYRK-JTQLQIEISA-N 2 1 212.341 0.643 20 30 BCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001028447191 635675940 /nfs/dbraw/zinc/67/59/40/635675940.db2.gz NLWKSMIHOSNHAD-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447191 635675941 /nfs/dbraw/zinc/67/59/41/635675941.db2.gz NLWKSMIHOSNHAD-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447191 635675942 /nfs/dbraw/zinc/67/59/42/635675942.db2.gz NLWKSMIHOSNHAD-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001022710933 631804583 /nfs/dbraw/zinc/80/45/83/631804583.db2.gz PQBJXZFCUSSRID-UPJWGTAASA-N 2 1 249.358 0.341 20 30 BCEDMP CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157364435 632428717 /nfs/dbraw/zinc/42/87/17/632428717.db2.gz CCWDSJSIGIRUBI-NSHDSACASA-N 2 1 226.368 0.889 20 30 BCEDMP CCNC(NC[C@@H](C)[NH+](C)C)=[NH+]CC ZINC000066245749 632861061 /nfs/dbraw/zinc/86/10/61/632861061.db2.gz NOLLHEOTZJTGKW-SECBINFHSA-N 2 1 200.330 0.512 20 30 BCEDMP C[NH+]1CCC(C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000895109854 636059991 /nfs/dbraw/zinc/05/99/91/636059991.db2.gz XJDBEIVXESIFOZ-CYBMUJFWSA-N 2 1 237.347 0.679 20 30 BCEDMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000262163501 636107988 /nfs/dbraw/zinc/10/79/88/636107988.db2.gz TYIRAULDEXFKAF-NSHDSACASA-N 2 1 224.352 0.928 20 30 BCEDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925609213 634147302 /nfs/dbraw/zinc/14/73/02/634147302.db2.gz QOPPBABYQGMADF-WCQYABFASA-N 2 1 236.363 0.704 20 30 BCEDMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000194684491 634329472 /nfs/dbraw/zinc/32/94/72/634329472.db2.gz XASJPWGERLNUKX-VHSXEESVSA-N 2 1 212.341 0.641 20 30 BCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980397267 635220009 /nfs/dbraw/zinc/22/00/09/635220009.db2.gz ONRANPUICFKAAN-OLZOCXBDSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980397267 635220011 /nfs/dbraw/zinc/22/00/11/635220011.db2.gz ONRANPUICFKAAN-OLZOCXBDSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980397267 635220018 /nfs/dbraw/zinc/22/00/18/635220018.db2.gz ONRANPUICFKAAN-OLZOCXBDSA-N 2 1 249.358 0.104 20 30 BCEDMP C=CC[C@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000320702368 636356068 /nfs/dbraw/zinc/35/60/68/636356068.db2.gz YKPUDHYROGAVKT-JSAZDUPASA-N 2 1 222.332 0.509 20 30 BCEDMP C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)CC#N)C2)C1 ZINC000930576539 639812895 /nfs/dbraw/zinc/81/28/95/639812895.db2.gz DSZHXSIJFBYGTR-CHWSQXEVSA-N 2 1 237.347 0.679 20 30 BCEDMP C[N@H+]1CCC[C@]2(CCN(C[C@H](O)CC#N)C2)C1 ZINC000930576540 639813018 /nfs/dbraw/zinc/81/30/18/639813018.db2.gz DSZHXSIJFBYGTR-OLZOCXBDSA-N 2 1 237.347 0.679 20 30 BCEDMP C[NH+]=C(NC[C@@H](C)[NH+](C)C)NC(C)(C)C ZINC000912496704 640086762 /nfs/dbraw/zinc/08/67/62/640086762.db2.gz CLIJCMWCVLUIBO-SECBINFHSA-N 2 1 214.357 0.900 20 30 BCEDMP CC[N@@H+](CC(=O)NCC#CC[NH+](C)C)C1CC1 ZINC000913519876 640382337 /nfs/dbraw/zinc/38/23/37/640382337.db2.gz SEFBKIGUURZENG-UHFFFAOYSA-N 2 1 237.347 0.152 20 30 BCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969099661 642823807 /nfs/dbraw/zinc/82/38/07/642823807.db2.gz QWNBMVMDPZZALP-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031774137 642838056 /nfs/dbraw/zinc/83/80/56/642838056.db2.gz PDKDJXUILFXRAE-ZDUSSCGKSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031774137 642838061 /nfs/dbraw/zinc/83/80/61/642838061.db2.gz PDKDJXUILFXRAE-ZDUSSCGKSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015995432 642944615 /nfs/dbraw/zinc/94/46/15/642944615.db2.gz VBTRMJHBKSOJDE-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015995432 642944623 /nfs/dbraw/zinc/94/46/23/642944623.db2.gz VBTRMJHBKSOJDE-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015995432 642944634 /nfs/dbraw/zinc/94/46/34/642944634.db2.gz VBTRMJHBKSOJDE-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016256950 642954786 /nfs/dbraw/zinc/95/47/86/642954786.db2.gz TXAPAFJHEVLHCO-RYUDHWBXSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016256950 642954792 /nfs/dbraw/zinc/95/47/92/642954792.db2.gz TXAPAFJHEVLHCO-RYUDHWBXSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016256950 642954796 /nfs/dbraw/zinc/95/47/96/642954796.db2.gz TXAPAFJHEVLHCO-RYUDHWBXSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001016258235 642955921 /nfs/dbraw/zinc/95/59/21/642955921.db2.gz DOPBGRFWMUWFRY-LBPRGKRZSA-N 2 1 248.330 0.568 20 30 BCEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016258235 642955930 /nfs/dbraw/zinc/95/59/30/642955930.db2.gz DOPBGRFWMUWFRY-LBPRGKRZSA-N 2 1 248.330 0.568 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001019383080 643031486 /nfs/dbraw/zinc/03/14/86/643031486.db2.gz VLQAHVLQZPJDFY-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001019652425 643039078 /nfs/dbraw/zinc/03/90/78/643039078.db2.gz MGWOAJFGBHWMMY-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C=C(Cl)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000306827296 643255412 /nfs/dbraw/zinc/25/54/12/643255412.db2.gz DAXUBZFRTBVXMQ-UHFFFAOYSA-N 2 1 204.701 0.525 20 30 BCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186769 643281402 /nfs/dbraw/zinc/28/14/02/643281402.db2.gz WHGMBMHPLKDNCC-ZDUSSCGKSA-N 2 1 249.358 0.009 20 30 BCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970712477 643508723 /nfs/dbraw/zinc/50/87/23/643508723.db2.gz OZVKKBSHMTWXQF-VXGBXAGGSA-N 2 1 237.347 0.315 20 30 BCEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998725258 643719779 /nfs/dbraw/zinc/71/97/79/643719779.db2.gz VTFDYXBLEPSQER-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998725257 643720265 /nfs/dbraw/zinc/72/02/65/643720265.db2.gz VTFDYXBLEPSQER-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000923280004 644312408 /nfs/dbraw/zinc/31/24/08/644312408.db2.gz WCVQTTBMJXNANU-GFCCVEGCSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923282316 644314948 /nfs/dbraw/zinc/31/49/48/644314948.db2.gz MXPOBVAIJHNAAL-NEPJUHHUSA-N 2 1 212.337 0.984 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000923286007 644320097 /nfs/dbraw/zinc/32/00/97/644320097.db2.gz KXMYHMPSHICNBP-RYUDHWBXSA-N 2 1 212.337 0.855 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923355541 644372492 /nfs/dbraw/zinc/37/24/92/644372492.db2.gz NJGDIQXRUZEMFH-RYUDHWBXSA-N 2 1 212.337 0.984 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000923388521 644402168 /nfs/dbraw/zinc/40/21/68/644402168.db2.gz RLLIOSYTIPUVRY-JHJVBQTASA-N 2 1 242.363 0.609 20 30 BCEDMP C[C@@]1(C#N)CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394823 644403175 /nfs/dbraw/zinc/40/31/75/644403175.db2.gz FZMRIYRQBFMRRA-RYUDHWBXSA-N 2 1 235.331 0.600 20 30 BCEDMP C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394823 644403181 /nfs/dbraw/zinc/40/31/81/644403181.db2.gz FZMRIYRQBFMRRA-RYUDHWBXSA-N 2 1 235.331 0.600 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923411750 644414150 /nfs/dbraw/zinc/41/41/50/644414150.db2.gz RKAGFGQXRHSQMV-SRVKXCTJSA-N 2 1 212.337 0.840 20 30 BCEDMP N#C[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432432 644426388 /nfs/dbraw/zinc/42/63/88/644426388.db2.gz MINDIHQWVUNNFX-VXGBXAGGSA-N 2 1 235.331 0.600 20 30 BCEDMP N#C[C@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432432 644426390 /nfs/dbraw/zinc/42/63/90/644426390.db2.gz MINDIHQWVUNNFX-VXGBXAGGSA-N 2 1 235.331 0.600 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478507 644456111 /nfs/dbraw/zinc/45/61/11/644456111.db2.gz DAPUJSKDIBTKQF-NWDGAFQWSA-N 2 1 212.337 0.984 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478505 644457178 /nfs/dbraw/zinc/45/71/78/644457178.db2.gz DAPUJSKDIBTKQF-NEPJUHHUSA-N 2 1 212.337 0.984 20 30 BCEDMP C[C@H](CNC(=[NH2+])N(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000245924034 644554893 /nfs/dbraw/zinc/55/48/93/644554893.db2.gz VOOLKOGVMWIIME-WDEREUQCSA-N 2 1 226.368 0.983 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000303696813 644838589 /nfs/dbraw/zinc/83/85/89/644838589.db2.gz FHUHUKPALRQZFN-MNOVXSKESA-N 2 1 242.367 0.410 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CC1 ZINC000303782185 644846115 /nfs/dbraw/zinc/84/61/15/644846115.db2.gz MUXZLSRKRJECBB-NSHDSACASA-N 2 1 224.352 0.785 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CC1 ZINC000303782184 644847016 /nfs/dbraw/zinc/84/70/16/644847016.db2.gz MUXZLSRKRJECBB-LLVKDONJSA-N 2 1 224.352 0.785 20 30 BCEDMP COCC[N@@H+](C)CCC[NH+]=C(N(C)C)N(C)C ZINC000303879487 644852978 /nfs/dbraw/zinc/85/29/78/644852978.db2.gz GONADJIASUITRH-UHFFFAOYSA-N 2 1 244.383 0.434 20 30 BCEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000303976258 644860265 /nfs/dbraw/zinc/86/02/65/644860265.db2.gz KAOQOPMWQHFLHN-NSHDSACASA-N 2 1 240.351 0.164 20 30 BCEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCSCC1 ZINC000303975558 644861300 /nfs/dbraw/zinc/86/13/00/644861300.db2.gz JFONGDGITDFTLL-UHFFFAOYSA-N 2 1 244.408 0.690 20 30 BCEDMP CCNC(NCC[N@H+](C)CCCOC)=[NH+]CC ZINC000304254946 644882951 /nfs/dbraw/zinc/88/29/51/644882951.db2.gz AGJYFQFFAOSYED-UHFFFAOYSA-N 2 1 244.383 0.530 20 30 BCEDMP CCNC(NCC[N@@H+](C)CCCOC)=[NH+]CC ZINC000304254946 644882957 /nfs/dbraw/zinc/88/29/57/644882957.db2.gz AGJYFQFFAOSYED-UHFFFAOYSA-N 2 1 244.383 0.530 20 30 BCEDMP CCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304742291 644929356 /nfs/dbraw/zinc/92/93/56/644929356.db2.gz CPKRDGUGCARLCH-LLVKDONJSA-N 2 1 242.367 0.269 20 30 BCEDMP CC(C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304765199 644932041 /nfs/dbraw/zinc/93/20/41/644932041.db2.gz YYXUAQJAIJRPIV-NSHDSACASA-N 2 1 242.367 0.267 20 30 BCEDMP C#CC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000830316056 645119088 /nfs/dbraw/zinc/11/90/88/645119088.db2.gz CLUBIQFBLRXUMC-CQSZACIVSA-N 2 1 236.359 0.788 20 30 BCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000928647880 645852895 /nfs/dbraw/zinc/85/28/95/645852895.db2.gz AIFWQDYOWXCFAV-CYBMUJFWSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925629870 646374197 /nfs/dbraw/zinc/37/41/97/646374197.db2.gz MBVBQNQBYLUAHM-SDDRHHMPSA-N 2 1 212.337 0.901 20 30 BCEDMP C=CC[C@H](CO)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925629872 646374556 /nfs/dbraw/zinc/37/45/56/646374556.db2.gz MBVBQNQBYLUAHM-WOPDTQHZSA-N 2 1 212.337 0.901 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCF ZINC000305106017 711785930 /nfs/dbraw/zinc/78/59/30/711785930.db2.gz BKZBKQNGALVAFN-JTQLQIEISA-N 2 1 230.331 0.735 20 30 BCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039016736 710717400 /nfs/dbraw/zinc/71/74/00/710717400.db2.gz KNQJCGVHFXUUHO-NWDGAFQWSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039016736 710717402 /nfs/dbraw/zinc/71/74/02/710717402.db2.gz KNQJCGVHFXUUHO-NWDGAFQWSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039016736 710717406 /nfs/dbraw/zinc/71/74/06/710717406.db2.gz KNQJCGVHFXUUHO-NWDGAFQWSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039016736 710717409 /nfs/dbraw/zinc/71/74/09/710717409.db2.gz KNQJCGVHFXUUHO-NWDGAFQWSA-N 2 1 237.347 0.315 20 30 BCEDMP C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000384227108 710836292 /nfs/dbraw/zinc/83/62/92/710836292.db2.gz VRVIWPGYGAQIPN-OLZOCXBDSA-N 2 1 224.348 0.835 20 30 BCEDMP C#CCN1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046190825 710853571 /nfs/dbraw/zinc/85/35/71/710853571.db2.gz XIGXZEIFDIKNKO-OCCSQVGLSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046190825 710853579 /nfs/dbraw/zinc/85/35/79/710853579.db2.gz XIGXZEIFDIKNKO-OCCSQVGLSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046190825 710853582 /nfs/dbraw/zinc/85/35/82/710853582.db2.gz XIGXZEIFDIKNKO-OCCSQVGLSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046190825 710853588 /nfs/dbraw/zinc/85/35/88/710853588.db2.gz XIGXZEIFDIKNKO-OCCSQVGLSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723891337 711544405 /nfs/dbraw/zinc/54/44/05/711544405.db2.gz NGTYRKVDMHADDU-GRYCIOLGSA-N 2 1 239.363 0.594 20 30 BCEDMP N#Cc1ccc(NCC[NH+]2CCC([NH3+])CC2)nc1 ZINC000721853765 711791430 /nfs/dbraw/zinc/79/14/30/711791430.db2.gz OSKGBKUEUMLWMV-UHFFFAOYSA-N 2 1 245.330 0.788 20 30 BCEDMP CCC[N@@H+](C)CC(=O)NCC#CC[NH+](C)C ZINC000913518489 711823796 /nfs/dbraw/zinc/82/37/96/711823796.db2.gz RDWXVSIWUOXOHE-UHFFFAOYSA-N 2 1 225.336 0.009 20 30 BCEDMP CC#CC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000339755835 398164496 /nfs/dbraw/zinc/16/44/96/398164496.db2.gz ZDECSDTWIFQAAH-UHFFFAOYSA-N 2 1 237.347 0.106 20 30 BCEDMP CC#CC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000339755835 398164500 /nfs/dbraw/zinc/16/45/00/398164500.db2.gz ZDECSDTWIFQAAH-UHFFFAOYSA-N 2 1 237.347 0.106 20 30 BCEDMP C[C@H](CCC#N)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000602612260 349636303 /nfs/dbraw/zinc/63/63/03/349636303.db2.gz ORBFNLMSSNVRLH-VXGBXAGGSA-N 2 1 225.336 0.582 20 30 BCEDMP C[C@H](CCC#N)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000602612260 349636304 /nfs/dbraw/zinc/63/63/04/349636304.db2.gz ORBFNLMSSNVRLH-VXGBXAGGSA-N 2 1 225.336 0.582 20 30 BCEDMP C=C(C)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640803393 362050982 /nfs/dbraw/zinc/05/09/82/362050982.db2.gz KRZHFMCDNJOWNG-UHFFFAOYSA-N 2 1 249.362 0.820 20 30 BCEDMP C[C@H](CNC1=[NH+]CCN1C)[N@H+]1CCC[C@H](C)C1 ZINC000262669766 136374699 /nfs/dbraw/zinc/37/46/99/136374699.db2.gz QMOLGNMNJQKYHQ-NWDGAFQWSA-N 2 1 238.379 0.998 20 30 BCEDMP C[N@H+](CCOCC[NH3+])Cc1ccc(C#N)o1 ZINC000600770944 344371859 /nfs/dbraw/zinc/37/18/59/344371859.db2.gz FBYDBYGKNILNSU-UHFFFAOYSA-N 2 1 223.276 0.558 20 30 BCEDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(C#N)o1 ZINC000600770944 344371862 /nfs/dbraw/zinc/37/18/62/344371862.db2.gz FBYDBYGKNILNSU-UHFFFAOYSA-N 2 1 223.276 0.558 20 30 BCEDMP C#CCNC(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000083093997 345508023 /nfs/dbraw/zinc/50/80/23/345508023.db2.gz XSSGFBQEYWUSJA-SNVBAGLBSA-N 2 1 220.320 0.021 20 30 BCEDMP C#CCNC(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000083093997 345508028 /nfs/dbraw/zinc/50/80/28/345508028.db2.gz XSSGFBQEYWUSJA-SNVBAGLBSA-N 2 1 220.320 0.021 20 30 BCEDMP C[N@H+]1CCC[C@H]1CCN1CC[C@](O)(CC#N)C1 ZINC000592150150 347741033 /nfs/dbraw/zinc/74/10/33/347741033.db2.gz AFNZKWMGYCQPPO-QWHCGFSZSA-N 2 1 237.347 0.821 20 30 BCEDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@](O)(CC#N)C1 ZINC000592150150 347741035 /nfs/dbraw/zinc/74/10/35/347741035.db2.gz AFNZKWMGYCQPPO-QWHCGFSZSA-N 2 1 237.347 0.821 20 30 BCEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](O)(CC#N)C1 ZINC000592150150 347741036 /nfs/dbraw/zinc/74/10/36/347741036.db2.gz AFNZKWMGYCQPPO-QWHCGFSZSA-N 2 1 237.347 0.821 20 30 BCEDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150150 347741039 /nfs/dbraw/zinc/74/10/39/347741039.db2.gz AFNZKWMGYCQPPO-QWHCGFSZSA-N 2 1 237.347 0.821 20 30 BCEDMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150150 347741041 /nfs/dbraw/zinc/74/10/41/347741041.db2.gz AFNZKWMGYCQPPO-QWHCGFSZSA-N 2 1 237.347 0.821 20 30 BCEDMP CCN(CC)C(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000271833821 351440183 /nfs/dbraw/zinc/44/01/83/351440183.db2.gz RIULBXMBPAZMMW-UHFFFAOYSA-N 2 1 224.352 0.905 20 30 BCEDMP N#CCNC(=O)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000331001316 353210399 /nfs/dbraw/zinc/21/03/99/353210399.db2.gz QMZRDSPPGZAZRW-SNVBAGLBSA-N 2 1 247.302 0.229 20 30 BCEDMP N#CCNC(=O)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000331001316 353210401 /nfs/dbraw/zinc/21/04/01/353210401.db2.gz QMZRDSPPGZAZRW-SNVBAGLBSA-N 2 1 247.302 0.229 20 30 BCEDMP C=CCN1CC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000420288866 192201544 /nfs/dbraw/zinc/20/15/44/192201544.db2.gz JPKVNTCCJGFGGR-NSHDSACASA-N 2 1 239.363 0.690 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000420288866 192201547 /nfs/dbraw/zinc/20/15/47/192201547.db2.gz JPKVNTCCJGFGGR-NSHDSACASA-N 2 1 239.363 0.690 20 30 BCEDMP C=CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000420371541 192227364 /nfs/dbraw/zinc/22/73/64/192227364.db2.gz KJGNEXNSWFUKJP-UHFFFAOYSA-N 2 1 237.347 0.459 20 30 BCEDMP C=CCN1CC[C@H]([NH2+][C@H](CN)C(C)(C)C)C1=O ZINC000420364916 192224349 /nfs/dbraw/zinc/22/43/49/192224349.db2.gz PNQJLNCUSKQATP-WDEREUQCSA-N 2 1 239.363 0.736 20 30 BCEDMP NC(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114849993 134200481 /nfs/dbraw/zinc/20/04/81/134200481.db2.gz PQQXWDCLRAWXRU-LBPRGKRZSA-N 2 1 232.331 0.924 20 30 BCEDMP CCN(CC)C(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000262442344 535390496 /nfs/dbraw/zinc/39/04/96/535390496.db2.gz BCYSBVGNSWFFNU-JTQLQIEISA-N 2 1 235.335 0.854 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107368389 358438783 /nfs/dbraw/zinc/43/87/83/358438783.db2.gz QKWOUKSNCJCYFB-CYBMUJFWSA-N 2 1 221.348 0.331 20 30 BCEDMP C#CCNC(N[C@@H]1CC[N@H+](C2CCCC2)C1)=[NH+]C ZINC000083512449 359796706 /nfs/dbraw/zinc/79/67/06/359796706.db2.gz FGBAXEKIWDWEBE-GFCCVEGCSA-N 2 1 248.374 0.802 20 30 BCEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436059611 201307720 /nfs/dbraw/zinc/30/77/20/201307720.db2.gz BOSUIQUJNBXNHK-LBPRGKRZSA-N 2 1 239.363 0.882 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COC(C)C ZINC000383011966 367586017 /nfs/dbraw/zinc/58/60/17/367586017.db2.gz BHJRNMNMMBEJKN-ZDUSSCGKSA-N 2 1 242.363 0.317 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COC(C)C ZINC000383011966 367586023 /nfs/dbraw/zinc/58/60/23/367586023.db2.gz BHJRNMNMMBEJKN-ZDUSSCGKSA-N 2 1 242.363 0.317 20 30 BCEDMP Cc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1C#N ZINC000600709815 369560073 /nfs/dbraw/zinc/56/00/73/369560073.db2.gz JVMJRWBKCDPNFQ-ZDUSSCGKSA-N 2 1 233.315 0.618 20 30 BCEDMP Cc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1C#N ZINC000600709815 369560077 /nfs/dbraw/zinc/56/00/77/369560077.db2.gz JVMJRWBKCDPNFQ-ZDUSSCGKSA-N 2 1 233.315 0.618 20 30 BCEDMP C[N@H+](CCOCC[NH3+])Cc1ccccc1C#N ZINC000600739885 369561654 /nfs/dbraw/zinc/56/16/54/369561654.db2.gz GHXDZVDOMHXUMS-UHFFFAOYSA-N 2 1 233.315 0.965 20 30 BCEDMP C[N@@H+](CCOCC[NH3+])Cc1ccccc1C#N ZINC000600739885 369561665 /nfs/dbraw/zinc/56/16/65/369561665.db2.gz GHXDZVDOMHXUMS-UHFFFAOYSA-N 2 1 233.315 0.965 20 30 BCEDMP CC[C@H](CC#N)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000564465333 384869989 /nfs/dbraw/zinc/86/99/89/384869989.db2.gz LDNUUHTZBGSLTM-PWSUYJOCSA-N 2 1 225.336 0.723 20 30 BCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COCC)CC1 ZINC000644549095 384949529 /nfs/dbraw/zinc/94/95/29/384949529.db2.gz QCSQCFBICWJJDW-CYBMUJFWSA-N 2 1 242.363 0.624 20 30 BCEDMP COCCNCC[NH2+]Cc1cccc(C#N)c1 ZINC000563211847 385897343 /nfs/dbraw/zinc/89/73/43/385897343.db2.gz PQLRCXIBCULHES-UHFFFAOYSA-N 2 1 233.315 0.884 20 30 BCEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414978567 386033480 /nfs/dbraw/zinc/03/34/80/386033480.db2.gz RYJZWIBROMKPMC-NEPJUHHUSA-N 2 1 211.353 0.834 20 30 BCEDMP C#CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374423530 533158280 /nfs/dbraw/zinc/15/82/80/533158280.db2.gz WJIBRNCPLHPQJH-FRRDWIJNSA-N 2 1 222.332 0.803 20 30 BCEDMP C#CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374423530 533158285 /nfs/dbraw/zinc/15/82/85/533158285.db2.gz WJIBRNCPLHPQJH-FRRDWIJNSA-N 2 1 222.332 0.803 20 30 BCEDMP C=CCOCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000304250881 387029127 /nfs/dbraw/zinc/02/91/27/387029127.db2.gz QXJLEBFTDVOFNE-GFCCVEGCSA-N 2 1 228.336 0.235 20 30 BCEDMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424145703 387769849 /nfs/dbraw/zinc/76/98/49/387769849.db2.gz OGYBPJVCIAKEGC-MNOVXSKESA-N 2 1 238.335 0.170 20 30 BCEDMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424145703 387769857 /nfs/dbraw/zinc/76/98/57/387769857.db2.gz OGYBPJVCIAKEGC-MNOVXSKESA-N 2 1 238.335 0.170 20 30 BCEDMP C=CCNC(=O)[C@@H](C)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193636137 387860380 /nfs/dbraw/zinc/86/03/80/387860380.db2.gz AEZHVDCIRSFOPG-UTUOFQBUSA-N 2 1 237.347 0.171 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)OC ZINC000328076344 387865118 /nfs/dbraw/zinc/86/51/18/387865118.db2.gz FUACYFPUQZUUBF-RYUDHWBXSA-N 2 1 212.337 0.955 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](C)OC ZINC000328076344 387865121 /nfs/dbraw/zinc/86/51/21/387865121.db2.gz FUACYFPUQZUUBF-RYUDHWBXSA-N 2 1 212.337 0.955 20 30 BCEDMP C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000424368839 387993679 /nfs/dbraw/zinc/99/36/79/387993679.db2.gz BWOMFEJVQUOGLQ-ZYHUDNBSSA-N 2 1 235.335 0.681 20 30 BCEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+](CC=C)CC1 ZINC000491737493 388316435 /nfs/dbraw/zinc/31/64/35/388316435.db2.gz QLEMNQWUWDRFHG-UHFFFAOYSA-N 2 1 249.358 0.366 20 30 BCEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000573016501 388406706 /nfs/dbraw/zinc/40/67/06/388406706.db2.gz TWAFCADGFSAZFS-LLVKDONJSA-N 2 1 216.325 0.043 20 30 BCEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)CCOC ZINC000573016501 388406709 /nfs/dbraw/zinc/40/67/09/388406709.db2.gz TWAFCADGFSAZFS-LLVKDONJSA-N 2 1 216.325 0.043 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)COC ZINC000328175307 388581224 /nfs/dbraw/zinc/58/12/24/388581224.db2.gz LQXYCQSHMWVEPA-LBPRGKRZSA-N 2 1 212.337 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)COC ZINC000328175307 388581226 /nfs/dbraw/zinc/58/12/26/388581226.db2.gz LQXYCQSHMWVEPA-LBPRGKRZSA-N 2 1 212.337 0.956 20 30 BCEDMP C=CCNC(NC[C@H]1CC[N@@H+](C)C1)=[NH+]C ZINC000103902253 134159265 /nfs/dbraw/zinc/15/92/65/134159265.db2.gz MGMCLOPJCCZSBB-SNVBAGLBSA-N 2 1 210.325 0.289 20 30 BCEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1=O ZINC000376001600 134241215 /nfs/dbraw/zinc/24/12/15/134241215.db2.gz VOOCVGQZUMAMMW-XQQFMLRXSA-N 2 1 249.358 0.267 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1=O ZINC000376001600 134241216 /nfs/dbraw/zinc/24/12/16/134241216.db2.gz VOOCVGQZUMAMMW-XQQFMLRXSA-N 2 1 249.358 0.267 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1=O ZINC000376001600 134241217 /nfs/dbraw/zinc/24/12/17/134241217.db2.gz VOOCVGQZUMAMMW-XQQFMLRXSA-N 2 1 249.358 0.267 20 30 BCEDMP C[NH+]=C(NCCCn1cc[nH+]c1C)NC1CC1 ZINC000264074849 135131827 /nfs/dbraw/zinc/13/18/27/135131827.db2.gz SORCURQKTNGPHJ-UHFFFAOYSA-N 2 1 235.335 0.909 20 30 BCEDMP C[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+](C)C ZINC000264079698 135131855 /nfs/dbraw/zinc/13/18/55/135131855.db2.gz GVUVVAZPULKZQA-SECBINFHSA-N 2 1 221.308 0.758 20 30 BCEDMP CCCCNC(=[NH2+])NCCn1cc[nH+]c1C ZINC000264103565 135132997 /nfs/dbraw/zinc/13/29/97/135132997.db2.gz OVJACIHLTDSXFH-UHFFFAOYSA-N 2 1 223.324 0.896 20 30 BCEDMP C=CCNC(=[NH2+])NCC[N@H+](C)[C@H](C)CC ZINC000264322379 135137828 /nfs/dbraw/zinc/13/78/28/135137828.db2.gz XYNTZECCKQLUKX-SNVBAGLBSA-N 2 1 212.341 0.807 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000261531922 135161736 /nfs/dbraw/zinc/16/17/36/135161736.db2.gz IKINYZBCOZMAIR-UWVGGRQHSA-N 2 1 210.325 0.408 20 30 BCEDMP CC[C@H](C)[N@@H+](C)CCNC1=[NH+]C[C@@H](C)N1 ZINC000261532665 135163232 /nfs/dbraw/zinc/16/32/32/135163232.db2.gz KCOWHRUILUGUFU-ZJUUUORDSA-N 2 1 212.341 0.654 20 30 BCEDMP CC[N@H+](CCNC1=[NH+]C[C@@H](C)N1)C1CC1 ZINC000261537633 135174755 /nfs/dbraw/zinc/17/47/55/135174755.db2.gz VWRMSKWYKSOKRH-SECBINFHSA-N 2 1 210.325 0.408 20 30 BCEDMP CC[N@@H+](CCNC1=[NH+]C[C@@H](C)N1)C1CC1 ZINC000261537633 135174758 /nfs/dbraw/zinc/17/47/58/135174758.db2.gz VWRMSKWYKSOKRH-SECBINFHSA-N 2 1 210.325 0.408 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261585819 135226862 /nfs/dbraw/zinc/22/68/62/135226862.db2.gz QQMKMLFVHOKBGV-JQWIXIFHSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261585819 135226863 /nfs/dbraw/zinc/22/68/63/135226863.db2.gz QQMKMLFVHOKBGV-JQWIXIFHSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000122353146 135227163 /nfs/dbraw/zinc/22/71/63/135227163.db2.gz VFVASVZQLOTKPM-VWYCJHECSA-N 2 1 225.336 0.346 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000122352893 135227469 /nfs/dbraw/zinc/22/74/69/135227469.db2.gz VFVASVZQLOTKPM-OUAUKWLOSA-N 2 1 225.336 0.346 20 30 BCEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000261997723 135270835 /nfs/dbraw/zinc/27/08/35/135270835.db2.gz OOJXCQVUZWTLKF-JTQLQIEISA-N 2 1 242.392 0.302 20 30 BCEDMP C=CCNC(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000262019975 135273442 /nfs/dbraw/zinc/27/34/42/135273442.db2.gz YOGSJQFSMRNPGG-ZYHUDNBSSA-N 2 1 236.363 0.820 20 30 BCEDMP [NH2+]=C(NC1CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262404691 135295062 /nfs/dbraw/zinc/29/50/62/135295062.db2.gz AWECRHJMLDJFGR-VIFPVBQESA-N 2 1 219.292 0.265 20 30 BCEDMP CN(C(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000262460925 135300426 /nfs/dbraw/zinc/30/04/26/135300426.db2.gz JZYLZVBOYMIDQG-SECBINFHSA-N 2 1 233.319 0.607 20 30 BCEDMP C[C@@H]1C[NH+]=C(NC[C@H]2CCCC[N@H+]2C2CC2)N1 ZINC000262474261 135300978 /nfs/dbraw/zinc/30/09/78/135300978.db2.gz BQQHFWWZPZUFPM-ZYHUDNBSSA-N 2 1 236.363 0.941 20 30 BCEDMP C[C@H]1C[NH+]=C(NCC2=CC[N@@H+](C)CC2)N1 ZINC000262481069 135301861 /nfs/dbraw/zinc/30/18/61/135301861.db2.gz CYJYYEWCWDJHPJ-VIFPVBQESA-N 2 1 208.309 0.186 20 30 BCEDMP C[C@H]1C[NH+]=C(NC[C@]2([NH+](C)C)CCSC2)N1 ZINC000262661774 135312329 /nfs/dbraw/zinc/31/23/29/135312329.db2.gz NBFYJTUEWVBUNK-GXSJLCMTSA-N 2 1 242.392 0.361 20 30 BCEDMP C[C@@H]1C[NH+]=C(NCC[C@@H]2CCC[N@@H+](C)C2)N1 ZINC000263170185 135337246 /nfs/dbraw/zinc/33/72/46/135337246.db2.gz RXJTYJQNMFJIQU-MNOVXSKESA-N 2 1 224.352 0.656 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123698339 166386464 /nfs/dbraw/zinc/38/64/64/166386464.db2.gz MIVGDSLTJXYQQU-NWDGAFQWSA-N 2 1 241.379 0.982 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123698339 166386465 /nfs/dbraw/zinc/38/64/65/166386465.db2.gz MIVGDSLTJXYQQU-NWDGAFQWSA-N 2 1 241.379 0.982 20 30 BCEDMP C=CCCC[N@H+](C)C[C@@](C)(O)C[NH2+]C ZINC000652338091 411203801 /nfs/dbraw/zinc/20/38/01/411203801.db2.gz AJONZYLQTHRFJC-NSHDSACASA-N 2 1 200.326 0.855 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122896257 411436511 /nfs/dbraw/zinc/43/65/11/411436511.db2.gz FPVXMUCYTSWZFN-TUAOUCFPSA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122896257 411436513 /nfs/dbraw/zinc/43/65/13/411436513.db2.gz FPVXMUCYTSWZFN-TUAOUCFPSA-N 2 1 239.363 0.736 20 30 BCEDMP CC#CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152176 412009159 /nfs/dbraw/zinc/00/91/59/412009159.db2.gz QERJCRBXHCMRIN-CQSZACIVSA-N 2 1 236.359 0.931 20 30 BCEDMP CC#CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152176 412009162 /nfs/dbraw/zinc/00/91/62/412009162.db2.gz QERJCRBXHCMRIN-CQSZACIVSA-N 2 1 236.359 0.931 20 30 BCEDMP C=CC[N@H+](CCN1CC[NH2+]CC1)[C@@H](C)COC ZINC000662299836 412087736 /nfs/dbraw/zinc/08/77/36/412087736.db2.gz YFGRQQSSUXNZQQ-ZDUSSCGKSA-N 2 1 241.379 0.415 20 30 BCEDMP NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272662976 487646679 /nfs/dbraw/zinc/64/66/79/487646679.db2.gz ABVGACXUJOSHHG-LBPRGKRZSA-N 2 1 248.330 0.027 20 30 BCEDMP COCC#CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000677816956 487505821 /nfs/dbraw/zinc/50/58/21/487505821.db2.gz FJVVWRXYOYIXBZ-CYBMUJFWSA-N 2 1 224.348 0.910 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@H]1CC[N@H+](CCC)C1 ZINC000264077235 534842735 /nfs/dbraw/zinc/84/27/35/534842735.db2.gz GEOJQEGSHHOPBX-NSHDSACASA-N 2 1 224.352 0.809 20 30 BCEDMP C#C[C@@H](C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000491048522 527213035 /nfs/dbraw/zinc/21/30/35/527213035.db2.gz YIOWGENNGAQYBI-GFCCVEGCSA-N 2 1 237.347 0.104 20 30 BCEDMP C#C[C@@H](C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000491048522 527213034 /nfs/dbraw/zinc/21/30/34/527213034.db2.gz YIOWGENNGAQYBI-GFCCVEGCSA-N 2 1 237.347 0.104 20 30 BCEDMP CC[N@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262644514 535475017 /nfs/dbraw/zinc/47/50/17/535475017.db2.gz IRGQKWLTKCZUEQ-WDEREUQCSA-N 2 1 224.352 0.798 20 30 BCEDMP CC[N@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262644502 535476332 /nfs/dbraw/zinc/47/63/32/535476332.db2.gz IRGQKWLTKCZUEQ-GHMZBOCLSA-N 2 1 224.352 0.798 20 30 BCEDMP CC[N@H+]1CCCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262644507 535502448 /nfs/dbraw/zinc/50/24/48/535502448.db2.gz IRGQKWLTKCZUEQ-MNOVXSKESA-N 2 1 224.352 0.798 20 30 BCEDMP CC#CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346588 588828564 /nfs/dbraw/zinc/82/85/64/588828564.db2.gz GBSKNJHIYYTETO-LBPRGKRZSA-N 2 1 239.363 0.398 20 30 BCEDMP CC#CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346588 588828565 /nfs/dbraw/zinc/82/85/65/588828565.db2.gz GBSKNJHIYYTETO-LBPRGKRZSA-N 2 1 239.363 0.398 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000856073572 588859639 /nfs/dbraw/zinc/85/96/39/588859639.db2.gz SPQMCGSIPDDMAZ-GFCCVEGCSA-N 2 1 239.363 0.705 20 30 BCEDMP C=C(C)CNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000104192998 583163318 /nfs/dbraw/zinc/16/33/18/583163318.db2.gz BPJJOHBYQIKMIO-SNVBAGLBSA-N 2 1 224.352 0.950 20 30 BCEDMP C#CC[N@@H+](C)CCCNc1nc(N)cc(C)[nH+]1 ZINC000893988405 583270341 /nfs/dbraw/zinc/27/03/41/583270341.db2.gz BFEULNCGCDTGRU-UHFFFAOYSA-N 2 1 233.319 0.734 20 30 BCEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=NC(N)=[NH2+] ZINC000751515871 583913336 /nfs/dbraw/zinc/91/33/36/583913336.db2.gz ACUUCIRNEAGXIS-SNVBAGLBSA-N 2 1 245.330 0.977 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CC)CC1 ZINC000899908087 584251877 /nfs/dbraw/zinc/25/18/77/584251877.db2.gz SFQALJZXFMHEDK-UHFFFAOYSA-N 2 1 239.363 0.658 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000900306475 584293540 /nfs/dbraw/zinc/29/35/40/584293540.db2.gz RKKDTAFLHZCGMB-GFCCVEGCSA-N 2 1 239.363 0.562 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000900695951 584338922 /nfs/dbraw/zinc/33/89/22/584338922.db2.gz UYOFPRLGRWFFNE-GFCCVEGCSA-N 2 1 239.363 0.705 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000900695952 584338951 /nfs/dbraw/zinc/33/89/51/584338951.db2.gz UYOFPRLGRWFFNE-LBPRGKRZSA-N 2 1 239.363 0.705 20 30 BCEDMP C=CC[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903747246 584794761 /nfs/dbraw/zinc/79/47/61/584794761.db2.gz QKZZBXTUHCQFDV-VXGBXAGGSA-N 2 1 210.321 0.873 20 30 BCEDMP C[C@H]1C[N@H+](C)CC1=NNCC[NH+]1CCCCC1 ZINC000752163903 585243281 /nfs/dbraw/zinc/24/32/81/585243281.db2.gz FURCFGFXYOQFGP-LBPRGKRZSA-N 2 1 238.379 0.999 20 30 BCEDMP C[C@H]1C[N@@H+](C)CC1=NNCC[NH+]1CCCCC1 ZINC000752163903 585243282 /nfs/dbraw/zinc/24/32/82/585243282.db2.gz FURCFGFXYOQFGP-LBPRGKRZSA-N 2 1 238.379 0.999 20 30 BCEDMP C[C@@H]1CC(N=NC2=N[C@@H]3CCCC[C@H]3N2)C[N@H+]1C ZINC000753937676 585272444 /nfs/dbraw/zinc/27/24/44/585272444.db2.gz YSQVYDXXRHYBOW-YUSALJHKSA-N 2 1 249.362 0.926 20 30 BCEDMP C[C@@H]1CC(N=NC2=N[C@@H]3CCCC[C@H]3N2)CN1C ZINC000753937676 585272445 /nfs/dbraw/zinc/27/24/45/585272445.db2.gz YSQVYDXXRHYBOW-YUSALJHKSA-N 2 1 249.362 0.926 20 30 BCEDMP C[NH+]1CCN(N=C2CCC[N@H+](C)CC2)CC1 ZINC000758088973 585349031 /nfs/dbraw/zinc/34/90/31/585349031.db2.gz IAISGATVAMOTOU-UHFFFAOYSA-N 2 1 224.352 0.706 20 30 BCEDMP C[NH+]1CCN(N=C2CCC[N@@H+](C)CC2)CC1 ZINC000758088973 585349032 /nfs/dbraw/zinc/34/90/32/585349032.db2.gz IAISGATVAMOTOU-UHFFFAOYSA-N 2 1 224.352 0.706 20 30 BCEDMP C#CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000764480231 585466616 /nfs/dbraw/zinc/46/66/16/585466616.db2.gz GSKPBHWTRICLJZ-UHFFFAOYSA-N 2 1 221.348 0.331 20 30 BCEDMP C#C[C@H]([NH2+]CCn1cc[nH+]c1C)[C@@H]1CCCO1 ZINC000775789922 585684978 /nfs/dbraw/zinc/68/49/78/585684978.db2.gz FEUCRPMKTKNIOZ-STQMWFEESA-N 2 1 233.315 0.962 20 30 BCEDMP C[C@@H]1CNC(NN=C2CC[N@H+]3CCC[C@@H]23)=[NH+]1 ZINC000779792203 585763824 /nfs/dbraw/zinc/76/38/24/585763824.db2.gz QAFVCJHFEOQNBY-SCZZXKLOSA-N 2 1 221.308 0.148 20 30 BCEDMP C#CC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000787677383 585913783 /nfs/dbraw/zinc/91/37/83/585913783.db2.gz WDIWEYMLDJLMAX-CYBMUJFWSA-N 2 1 222.332 0.806 20 30 BCEDMP C#CCN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000787677383 585913784 /nfs/dbraw/zinc/91/37/84/585913784.db2.gz WDIWEYMLDJLMAX-CYBMUJFWSA-N 2 1 222.332 0.806 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000826722806 587360008 /nfs/dbraw/zinc/36/00/08/587360008.db2.gz XHODPQFQWIJTPN-NSHDSACASA-N 2 1 239.363 0.562 20 30 BCEDMP C1C[NH+]=C(N=NC2CCC[N@@H+]3CCCC[C@@H]23)N1 ZINC000848411662 588380301 /nfs/dbraw/zinc/38/03/01/588380301.db2.gz BENGPGMHEXDHNN-NSHDSACASA-N 2 1 235.335 0.540 20 30 BCEDMP C1C[NH+]=C(N=NC2CCC[N@H+]3CCCC[C@@H]23)N1 ZINC000848411662 588380302 /nfs/dbraw/zinc/38/03/02/588380302.db2.gz BENGPGMHEXDHNN-NSHDSACASA-N 2 1 235.335 0.540 20 30 BCEDMP COC1CC[NH+](CCNC2=[NH+]C[C@H](C)N2)CC1 ZINC000849011840 588435384 /nfs/dbraw/zinc/43/53/84/588435384.db2.gz QPQBJWHKDADUDV-JTQLQIEISA-N 2 1 240.351 0.035 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C#N)CC1 ZINC000849026099 588440661 /nfs/dbraw/zinc/44/06/61/588440661.db2.gz VHMMMPIBWJGPHZ-NSHDSACASA-N 2 1 249.362 0.888 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO ZINC000849034243 588444386 /nfs/dbraw/zinc/44/43/86/588444386.db2.gz PBMQLQXZXJZVSR-LLVKDONJSA-N 2 1 240.351 0.133 20 30 BCEDMP CNC(NCC[N@H+]1CCCC1(C)C)=[NH+]C ZINC000849039424 588447135 /nfs/dbraw/zinc/44/71/35/588447135.db2.gz XTOQBLSUDJMWGF-UHFFFAOYSA-N 2 1 212.341 0.656 20 30 BCEDMP CC(C)C[N@@H+](C)CCCNC1=[NH+]CCN1C ZINC000849046322 588450040 /nfs/dbraw/zinc/45/00/40/588450040.db2.gz BOXJGCNZEGKNCY-UHFFFAOYSA-N 2 1 226.368 0.855 20 30 BCEDMP CCNC(NC[C@H]1CCC[N@@H+](C)C1)=[NH+]CC ZINC000108638502 588479459 /nfs/dbraw/zinc/47/94/59/588479459.db2.gz GYUXDYHHSXJEKU-LLVKDONJSA-N 2 1 226.368 0.903 20 30 BCEDMP CNC(NC[C@H]1CC[N@H+]1C1CCCC1)=[NH+]C ZINC000864356925 589355044 /nfs/dbraw/zinc/35/50/44/589355044.db2.gz QYBDSMQYWJJIRO-LLVKDONJSA-N 2 1 224.352 0.798 20 30 BCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000876733629 590232898 /nfs/dbraw/zinc/23/28/98/590232898.db2.gz CYFSORWFUUVVHG-VHSXEESVSA-N 2 1 245.754 0.667 20 30 BCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000876733628 590233970 /nfs/dbraw/zinc/23/39/70/590233970.db2.gz CYFSORWFUUVVHG-UWVGGRQHSA-N 2 1 245.754 0.667 20 30 BCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cnc[nH]1 ZINC000876882784 590253171 /nfs/dbraw/zinc/25/31/71/590253171.db2.gz ROZRRXREFWQWDK-QMMMGPOBSA-N 2 1 228.683 0.496 20 30 BCEDMP C#C[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877514236 590345092 /nfs/dbraw/zinc/34/50/92/590345092.db2.gz KTFSDFHBLSKBLQ-NSHDSACASA-N 2 1 224.348 0.833 20 30 BCEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879577895 590812776 /nfs/dbraw/zinc/81/27/76/590812776.db2.gz NSDLAIYTTUWWFA-AVGNSLFASA-N 2 1 224.348 0.949 20 30 BCEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879577895 590812778 /nfs/dbraw/zinc/81/27/78/590812778.db2.gz NSDLAIYTTUWWFA-AVGNSLFASA-N 2 1 224.348 0.949 20 30 BCEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879577895 590812780 /nfs/dbraw/zinc/81/27/80/590812780.db2.gz NSDLAIYTTUWWFA-AVGNSLFASA-N 2 1 224.348 0.949 20 30 BCEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879577895 590812781 /nfs/dbraw/zinc/81/27/81/590812781.db2.gz NSDLAIYTTUWWFA-AVGNSLFASA-N 2 1 224.348 0.949 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H](Nc2cc(C)[nH+]c(N)n2)C1 ZINC000884613539 591994328 /nfs/dbraw/zinc/99/43/28/591994328.db2.gz OVKBLRNANOXQJM-NSHDSACASA-N 2 1 245.330 0.877 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NCC1CC1 ZINC000887360730 592490653 /nfs/dbraw/zinc/49/06/53/592490653.db2.gz UIOJXIZKAQDUCH-UHFFFAOYSA-N 2 1 222.336 0.465 20 30 BCEDMP C[NH+]=C(NCCC[N@H+](C)CCOC)NC1CC1 ZINC000103338411 592579285 /nfs/dbraw/zinc/57/92/85/592579285.db2.gz OSJBXGCWIZTAOZ-UHFFFAOYSA-N 2 1 242.367 0.282 20 30 BCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N(C)C ZINC000178566699 635511524 /nfs/dbraw/zinc/51/15/24/635511524.db2.gz GMTPAELBLGGQHF-SNVBAGLBSA-N 2 1 212.341 0.737 20 30 BCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001028314881 635649979 /nfs/dbraw/zinc/64/99/79/635649979.db2.gz FIDKUSQFTZWQMM-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028314881 635649984 /nfs/dbraw/zinc/64/99/84/635649984.db2.gz FIDKUSQFTZWQMM-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028314881 635649994 /nfs/dbraw/zinc/64/99/94/635649994.db2.gz FIDKUSQFTZWQMM-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001028447192 635675391 /nfs/dbraw/zinc/67/53/91/635675391.db2.gz NLWKSMIHOSNHAD-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447192 635675396 /nfs/dbraw/zinc/67/53/96/635675396.db2.gz NLWKSMIHOSNHAD-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447192 635675401 /nfs/dbraw/zinc/67/54/01/635675401.db2.gz NLWKSMIHOSNHAD-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP COCCNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000155921321 632118461 /nfs/dbraw/zinc/11/84/61/632118461.db2.gz LSXNFYDSZQIZEL-SNVBAGLBSA-N 2 1 240.351 0.021 20 30 BCEDMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOCCC#N)C2)C1 ZINC000339213099 635838032 /nfs/dbraw/zinc/83/80/32/635838032.db2.gz POUGQPZYKSOAPV-CYBMUJFWSA-N 2 1 237.347 0.944 20 30 BCEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCOCCC#N)C2)C1 ZINC000339213099 635838035 /nfs/dbraw/zinc/83/80/35/635838035.db2.gz POUGQPZYKSOAPV-CYBMUJFWSA-N 2 1 237.347 0.944 20 30 BCEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCOCCC#N)C2)C1 ZINC000339213099 635838037 /nfs/dbraw/zinc/83/80/37/635838037.db2.gz POUGQPZYKSOAPV-CYBMUJFWSA-N 2 1 237.347 0.944 20 30 BCEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOCCC#N)C2)C1 ZINC000339213099 635838038 /nfs/dbraw/zinc/83/80/38/635838038.db2.gz POUGQPZYKSOAPV-CYBMUJFWSA-N 2 1 237.347 0.944 20 30 BCEDMP C[N@@H+]1CC[C@]2(CC[NH+](CCOCCC#N)C2)C1 ZINC000339213100 635838096 /nfs/dbraw/zinc/83/80/96/635838096.db2.gz POUGQPZYKSOAPV-ZDUSSCGKSA-N 2 1 237.347 0.944 20 30 BCEDMP C[N@H+]1CC[C@]2(CC[NH+](CCOCCC#N)C2)C1 ZINC000339213100 635838100 /nfs/dbraw/zinc/83/81/00/635838100.db2.gz POUGQPZYKSOAPV-ZDUSSCGKSA-N 2 1 237.347 0.944 20 30 BCEDMP C[NH+]1CC[C@]2(CC[N@H+](CCOCCC#N)C2)C1 ZINC000339213100 635838107 /nfs/dbraw/zinc/83/81/07/635838107.db2.gz POUGQPZYKSOAPV-ZDUSSCGKSA-N 2 1 237.347 0.944 20 30 BCEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCOCCC#N)C2)C1 ZINC000339213100 635838113 /nfs/dbraw/zinc/83/81/13/635838113.db2.gz POUGQPZYKSOAPV-ZDUSSCGKSA-N 2 1 237.347 0.944 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1CCCOC1 ZINC000327959597 633199009 /nfs/dbraw/zinc/19/90/09/633199009.db2.gz CETYLVJXKOYBBQ-CYBMUJFWSA-N 2 1 224.348 0.958 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1CCCOC1 ZINC000327959597 633199013 /nfs/dbraw/zinc/19/90/13/633199013.db2.gz CETYLVJXKOYBBQ-CYBMUJFWSA-N 2 1 224.348 0.958 20 30 BCEDMP CCCC[N@@H+](C)CCNC(NC)=[NH+]C ZINC000304054049 635934454 /nfs/dbraw/zinc/93/44/54/635934454.db2.gz LOTCKDAYCMUUTJ-UHFFFAOYSA-N 2 1 200.330 0.513 20 30 BCEDMP CN1CC[NH+]=C1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000262668838 636441649 /nfs/dbraw/zinc/44/16/49/636441649.db2.gz PYXHLEJJXSHBNW-NSHDSACASA-N 2 1 238.379 0.998 20 30 BCEDMP C[N@@H+](C[C@H](O)CC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460833 639763051 /nfs/dbraw/zinc/76/30/51/639763051.db2.gz RSPJBTMDPINCDF-ZGVCCVRISA-N 2 1 237.347 0.818 20 30 BCEDMP CN(C[C@H](O)CC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930460833 639763042 /nfs/dbraw/zinc/76/30/42/639763042.db2.gz RSPJBTMDPINCDF-ZGVCCVRISA-N 2 1 237.347 0.818 20 30 BCEDMP C[N@H+](C[C@H](O)CC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460833 639763045 /nfs/dbraw/zinc/76/30/45/639763045.db2.gz RSPJBTMDPINCDF-ZGVCCVRISA-N 2 1 237.347 0.818 20 30 BCEDMP C[NH+](C[C@H](O)CC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930460833 639763055 /nfs/dbraw/zinc/76/30/55/639763055.db2.gz RSPJBTMDPINCDF-ZGVCCVRISA-N 2 1 237.347 0.818 20 30 BCEDMP C[NH+](C[C@H](O)CC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930460833 639763061 /nfs/dbraw/zinc/76/30/61/639763061.db2.gz RSPJBTMDPINCDF-ZGVCCVRISA-N 2 1 237.347 0.818 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000931279881 640134362 /nfs/dbraw/zinc/13/43/62/640134362.db2.gz RTIWTCWPNYOPTK-NDBYEHHHSA-N 2 1 224.348 0.805 20 30 BCEDMP C=CCC[C@@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279881 640134366 /nfs/dbraw/zinc/13/43/66/640134366.db2.gz RTIWTCWPNYOPTK-NDBYEHHHSA-N 2 1 224.348 0.805 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279881 640134371 /nfs/dbraw/zinc/13/43/71/640134371.db2.gz RTIWTCWPNYOPTK-NDBYEHHHSA-N 2 1 224.348 0.805 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279881 640134375 /nfs/dbraw/zinc/13/43/75/640134375.db2.gz RTIWTCWPNYOPTK-NDBYEHHHSA-N 2 1 224.348 0.805 20 30 BCEDMP COCC#CC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440750 640208222 /nfs/dbraw/zinc/20/82/22/640208222.db2.gz YOZPSUIUTXSYIR-QWHCGFSZSA-N 2 1 222.332 0.520 20 30 BCEDMP COCC#CC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440750 640208230 /nfs/dbraw/zinc/20/82/30/640208230.db2.gz YOZPSUIUTXSYIR-QWHCGFSZSA-N 2 1 222.332 0.520 20 30 BCEDMP COCC#CC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440750 640208235 /nfs/dbraw/zinc/20/82/35/640208235.db2.gz YOZPSUIUTXSYIR-QWHCGFSZSA-N 2 1 222.332 0.520 20 30 BCEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N(C)C ZINC000170914444 640937856 /nfs/dbraw/zinc/93/78/56/640937856.db2.gz KQUUDDYVKWZQPY-VIFPVBQESA-N 2 1 200.330 0.593 20 30 BCEDMP CCCCNC(=[NH2+])NCC[N@@H+]1CCCOCC1 ZINC000187857182 641728912 /nfs/dbraw/zinc/72/89/12/641728912.db2.gz KYFBOWTXAQTIJW-UHFFFAOYSA-N 2 1 242.367 0.413 20 30 BCEDMP CCCCNC(=[NH2+])NCC[N@H+]1CCCOCC1 ZINC000187857182 641728922 /nfs/dbraw/zinc/72/89/22/641728922.db2.gz KYFBOWTXAQTIJW-UHFFFAOYSA-N 2 1 242.367 0.413 20 30 BCEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305803921 642699282 /nfs/dbraw/zinc/69/92/82/642699282.db2.gz FPAHGUGTSNOPAM-JTQLQIEISA-N 2 1 224.352 0.737 20 30 BCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010370605 642862521 /nfs/dbraw/zinc/86/25/21/642862521.db2.gz ZAVYTWBMJRIPBK-NEPJUHHUSA-N 2 1 237.347 0.457 20 30 BCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370605 642862524 /nfs/dbraw/zinc/86/25/24/642862524.db2.gz ZAVYTWBMJRIPBK-NEPJUHHUSA-N 2 1 237.347 0.457 20 30 BCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370605 642862526 /nfs/dbraw/zinc/86/25/26/642862526.db2.gz ZAVYTWBMJRIPBK-NEPJUHHUSA-N 2 1 237.347 0.457 20 30 BCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010370607 642863035 /nfs/dbraw/zinc/86/30/35/642863035.db2.gz ZAVYTWBMJRIPBK-RYUDHWBXSA-N 2 1 237.347 0.457 20 30 BCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370607 642863037 /nfs/dbraw/zinc/86/30/37/642863037.db2.gz ZAVYTWBMJRIPBK-RYUDHWBXSA-N 2 1 237.347 0.457 20 30 BCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370607 642863041 /nfs/dbraw/zinc/86/30/41/642863041.db2.gz ZAVYTWBMJRIPBK-RYUDHWBXSA-N 2 1 237.347 0.457 20 30 BCEDMP CN(C(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000181464751 642875095 /nfs/dbraw/zinc/87/50/95/642875095.db2.gz SDOJEFBGYCGQKB-VIFPVBQESA-N 2 1 210.325 0.347 20 30 BCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015995433 642941301 /nfs/dbraw/zinc/94/13/01/642941301.db2.gz VBTRMJHBKSOJDE-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015995433 642941305 /nfs/dbraw/zinc/94/13/05/642941305.db2.gz VBTRMJHBKSOJDE-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015995433 642941312 /nfs/dbraw/zinc/94/13/12/642941312.db2.gz VBTRMJHBKSOJDE-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001018629020 643004045 /nfs/dbraw/zinc/00/40/45/643004045.db2.gz XLYFVHINFPCGFV-RYUDHWBXSA-N 2 1 237.347 0.457 20 30 BCEDMP C#CC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031947228 643091415 /nfs/dbraw/zinc/09/14/15/643091415.db2.gz DCSQKBMPAHQUIC-UHFFFAOYSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000969352692 643150093 /nfs/dbraw/zinc/15/00/93/643150093.db2.gz LFNSKADXQXFPPU-GFCCVEGCSA-N 2 1 246.314 0.015 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001020588452 643219688 /nfs/dbraw/zinc/21/96/88/643219688.db2.gz BDUVJMJHQDGDBY-AVGNSLFASA-N 2 1 249.358 0.198 20 30 BCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000969960734 643256456 /nfs/dbraw/zinc/25/64/56/643256456.db2.gz VLQAHVLQZPJDFY-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021047746 643394704 /nfs/dbraw/zinc/39/47/04/643394704.db2.gz NGTPTWDPXLOCGJ-SRVKXCTJSA-N 2 1 237.347 0.361 20 30 BCEDMP CCNC(NC[C@H]1CCC[N@H+]1C)=[NH+]CC ZINC000303256286 643577588 /nfs/dbraw/zinc/57/75/88/643577588.db2.gz HUQYHNRRNJZWIP-SNVBAGLBSA-N 2 1 212.341 0.656 20 30 BCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970870569 643578724 /nfs/dbraw/zinc/57/87/24/643578724.db2.gz VCESBOMNRZZEKZ-VXGBXAGGSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970870569 643578728 /nfs/dbraw/zinc/57/87/28/643578728.db2.gz VCESBOMNRZZEKZ-VXGBXAGGSA-N 2 1 249.358 0.008 20 30 BCEDMP C=CCC[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000320282596 643650220 /nfs/dbraw/zinc/65/02/20/643650220.db2.gz OFQPEURRKSCAPT-GFCCVEGCSA-N 2 1 212.337 0.997 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000922156159 643875705 /nfs/dbraw/zinc/87/57/05/643875705.db2.gz LCNONTCGELYSQT-GFCCVEGCSA-N 2 1 239.363 0.705 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923378973 644391296 /nfs/dbraw/zinc/39/12/96/644391296.db2.gz MFMHEUQWKKMUJT-RYUDHWBXSA-N 2 1 228.336 0.363 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000923392014 644399833 /nfs/dbraw/zinc/39/98/33/644399833.db2.gz RMASBTUDYKTDQD-MOENNCHZSA-N 2 1 210.321 0.737 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000923392014 644399838 /nfs/dbraw/zinc/39/98/38/644399838.db2.gz RMASBTUDYKTDQD-MOENNCHZSA-N 2 1 210.321 0.737 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923411751 644415152 /nfs/dbraw/zinc/41/51/52/644415152.db2.gz RKAGFGQXRHSQMV-TUAOUCFPSA-N 2 1 212.337 0.840 20 30 BCEDMP N#C[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432426 644426201 /nfs/dbraw/zinc/42/62/01/644426201.db2.gz MINDIHQWVUNNFX-NEPJUHHUSA-N 2 1 235.331 0.600 20 30 BCEDMP N#C[C@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432426 644426209 /nfs/dbraw/zinc/42/62/09/644426209.db2.gz MINDIHQWVUNNFX-NEPJUHHUSA-N 2 1 235.331 0.600 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923482396 644460145 /nfs/dbraw/zinc/46/01/45/644460145.db2.gz ZKTNZYLYQJPXBF-NWDGAFQWSA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923515607 644481499 /nfs/dbraw/zinc/48/14/99/644481499.db2.gz BXFHKIZRXHHTBZ-IJLUTSLNSA-N 2 1 237.347 0.300 20 30 BCEDMP CNC(NCC[N@H+]1CCCC[C@H]1C)=[NH+]C ZINC000303268643 644815070 /nfs/dbraw/zinc/81/50/70/644815070.db2.gz ZBNOLUCXLKRPSA-SNVBAGLBSA-N 2 1 212.341 0.656 20 30 BCEDMP CCOCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303785692 644846777 /nfs/dbraw/zinc/84/67/77/644846777.db2.gz QOLORMYRZWEWFU-LLVKDONJSA-N 2 1 242.367 0.412 20 30 BCEDMP COCC[N@@H+](C)CCCNC(=[NH2+])NC(C)(C)C ZINC000303897243 644855751 /nfs/dbraw/zinc/85/57/51/644855751.db2.gz QJDUKYRFQKSHBK-UHFFFAOYSA-N 2 1 244.383 0.658 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCC[N@H+](C)C(C)C ZINC000303979812 644860999 /nfs/dbraw/zinc/86/09/99/644860999.db2.gz NOEQGRNJYMFPSE-UHFFFAOYSA-N 2 1 212.341 0.807 20 30 BCEDMP CCCC[N@@H+](C)CCNC(=[NH2+])N[C@H](C)COC ZINC000304755826 644931138 /nfs/dbraw/zinc/93/11/38/644931138.db2.gz NCWNTVIGBDCKOX-LLVKDONJSA-N 2 1 244.383 0.658 20 30 BCEDMP CC(C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000304765197 644932685 /nfs/dbraw/zinc/93/26/85/644932685.db2.gz YYXUAQJAIJRPIV-LLVKDONJSA-N 2 1 242.367 0.267 20 30 BCEDMP CNC(NC[C@@H]1[N@@H+](C)CCCC1(C)C)=[NH+]C ZINC000849023763 645446805 /nfs/dbraw/zinc/44/68/05/645446805.db2.gz DNIKLIRVRIRZFZ-JTQLQIEISA-N 2 1 226.368 0.902 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928550758 645807634 /nfs/dbraw/zinc/80/76/34/645807634.db2.gz IQROFDSBEJWCQE-LLVKDONJSA-N 2 1 225.336 0.315 20 30 BCEDMP C#C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000300965208 645899172 /nfs/dbraw/zinc/89/91/72/645899172.db2.gz RLLAFSBMYCQMAF-CHWSQXEVSA-N 2 1 224.348 0.691 20 30 BCEDMP C=CC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000714994989 712503013 /nfs/dbraw/zinc/50/30/13/712503013.db2.gz DLDQKNKPXJUJFO-VXGBXAGGSA-N 2 1 239.363 0.738 20 30 BCEDMP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000717794628 712678361 /nfs/dbraw/zinc/67/83/61/712678361.db2.gz OTBFXVBTEBRBMF-LBPRGKRZSA-N 2 1 210.321 0.445 20 30 BCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038915689 710714597 /nfs/dbraw/zinc/71/45/97/710714597.db2.gz XWFMDBRFOZNTMP-GFCCVEGCSA-N 2 1 249.358 0.459 20 30 BCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038915689 710714600 /nfs/dbraw/zinc/71/46/00/710714600.db2.gz XWFMDBRFOZNTMP-GFCCVEGCSA-N 2 1 249.358 0.459 20 30 BCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039016738 710718179 /nfs/dbraw/zinc/71/81/79/710718179.db2.gz KNQJCGVHFXUUHO-VXGBXAGGSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039016738 710718182 /nfs/dbraw/zinc/71/81/82/710718182.db2.gz KNQJCGVHFXUUHO-VXGBXAGGSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039016738 710718187 /nfs/dbraw/zinc/71/81/87/710718187.db2.gz KNQJCGVHFXUUHO-VXGBXAGGSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039016738 710718189 /nfs/dbraw/zinc/71/81/89/710718189.db2.gz KNQJCGVHFXUUHO-VXGBXAGGSA-N 2 1 237.347 0.315 20 30 BCEDMP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000104191726 711575373 /nfs/dbraw/zinc/57/53/73/711575373.db2.gz RQTXNBRXTFDORC-SNVBAGLBSA-N 2 1 230.356 0.266 20 30 BCEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033705398 712014407 /nfs/dbraw/zinc/01/44/07/712014407.db2.gz GRVXINWHQKHBPY-GFCCVEGCSA-N 2 1 248.330 0.602 20 30 BCEDMP C#CC[C@H](COC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000716826613 712576830 /nfs/dbraw/zinc/57/68/30/712576830.db2.gz AJIVLBKHKWSJKI-OLZOCXBDSA-N 2 1 240.347 0.071 20 30 BCEDMP C=C(Cl)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000379924129 712627791 /nfs/dbraw/zinc/62/77/91/712627791.db2.gz SVGHSFGFVWHKHJ-NSHDSACASA-N 2 1 229.755 0.718 20 30 BCEDMP C=C(Cl)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000379924129 712627792 /nfs/dbraw/zinc/62/77/92/712627792.db2.gz SVGHSFGFVWHKHJ-NSHDSACASA-N 2 1 229.755 0.718 20 30 BCEDMP C[NH+](C)CC#CCNc1[nH+]cnc2[nH]ccc21 ZINC000717595314 712661149 /nfs/dbraw/zinc/66/11/49/712661149.db2.gz OIONINOGFOIWHQ-UHFFFAOYSA-N 2 1 229.287 0.886 20 30 BCEDMP CC#CC[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000717824197 712681775 /nfs/dbraw/zinc/68/17/75/712681775.db2.gz VTFJOSRXHHCOMG-CYBMUJFWSA-N 2 1 224.348 0.835 20 30 BCEDMP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000717824203 712681786 /nfs/dbraw/zinc/68/17/86/712681786.db2.gz VTFJOSRXHHCOMG-ZDUSSCGKSA-N 2 1 224.348 0.835 20 30 BCEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000717840515 712691337 /nfs/dbraw/zinc/69/13/37/712691337.db2.gz IALSKDMUIUYDHR-JHJVBQTASA-N 2 1 222.332 0.587 20 30 BCEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248516752 323023922 /nfs/dbraw/zinc/02/39/22/323023922.db2.gz OYTPEVKRVUOEEK-QJPTWQEYSA-N 2 1 212.337 0.996 20 30 BCEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248516752 323023923 /nfs/dbraw/zinc/02/39/23/323023923.db2.gz OYTPEVKRVUOEEK-QJPTWQEYSA-N 2 1 212.337 0.996 20 30 BCEDMP Cc1[nH+]ccn1CCCCNC1=[NH+]C[C@H](C)N1 ZINC000285028264 136287444 /nfs/dbraw/zinc/28/74/44/136287444.db2.gz JRQABCZLROTRRM-JTQLQIEISA-N 2 1 235.335 0.909 20 30 BCEDMP C[N@@H+](CCCCNC1=[NH+]CCCN1)C1CC1 ZINC000569867723 323043471 /nfs/dbraw/zinc/04/34/71/323043471.db2.gz MNVKYSDQODYLDS-UHFFFAOYSA-N 2 1 224.352 0.800 20 30 BCEDMP C#CCC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363472910 344135050 /nfs/dbraw/zinc/13/50/50/344135050.db2.gz VYFVZODSZHCNRR-HNNXBMFYSA-N 2 1 249.402 0.969 20 30 BCEDMP C=CC[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000131675733 344234155 /nfs/dbraw/zinc/23/41/55/344234155.db2.gz PJMOLKZXDYICQH-UHFFFAOYSA-N 2 1 209.337 0.542 20 30 BCEDMP CC(C)(CC#N)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600736293 344365616 /nfs/dbraw/zinc/36/56/16/344365616.db2.gz OKXKLDULHCUYIW-LBPRGKRZSA-N 2 1 239.363 0.973 20 30 BCEDMP N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000378867410 345687962 /nfs/dbraw/zinc/68/79/62/345687962.db2.gz FCWQDBXPCUQQPR-WISYIIOYSA-N 2 1 205.305 0.830 20 30 BCEDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309553804 347099678 /nfs/dbraw/zinc/09/96/78/347099678.db2.gz JBFHXLYYSRFDEK-WOPDTQHZSA-N 2 1 223.320 0.335 20 30 BCEDMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309553804 347099680 /nfs/dbraw/zinc/09/96/80/347099680.db2.gz JBFHXLYYSRFDEK-WOPDTQHZSA-N 2 1 223.320 0.335 20 30 BCEDMP C[N@H+]1CCC[C@@H]1CCN1CC[C@](O)(CC#N)C1 ZINC000592150148 347740884 /nfs/dbraw/zinc/74/08/84/347740884.db2.gz AFNZKWMGYCQPPO-CHWSQXEVSA-N 2 1 237.347 0.821 20 30 BCEDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@](O)(CC#N)C1 ZINC000592150148 347740886 /nfs/dbraw/zinc/74/08/86/347740886.db2.gz AFNZKWMGYCQPPO-CHWSQXEVSA-N 2 1 237.347 0.821 20 30 BCEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@](O)(CC#N)C1 ZINC000592150148 347740887 /nfs/dbraw/zinc/74/08/87/347740887.db2.gz AFNZKWMGYCQPPO-CHWSQXEVSA-N 2 1 237.347 0.821 20 30 BCEDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150148 347740890 /nfs/dbraw/zinc/74/08/90/347740890.db2.gz AFNZKWMGYCQPPO-CHWSQXEVSA-N 2 1 237.347 0.821 20 30 BCEDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150148 347740892 /nfs/dbraw/zinc/74/08/92/347740892.db2.gz AFNZKWMGYCQPPO-CHWSQXEVSA-N 2 1 237.347 0.821 20 30 BCEDMP CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000598586688 348995708 /nfs/dbraw/zinc/99/57/08/348995708.db2.gz WPBADMCSOINVKT-TUAOUCFPSA-N 2 1 237.347 0.438 20 30 BCEDMP CC(C)NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262474218 535123883 /nfs/dbraw/zinc/12/38/83/535123883.db2.gz OYEJKJCTFCVVLV-SECBINFHSA-N 2 1 221.308 0.511 20 30 BCEDMP CN(C)CC[N@@H+](C)CCCN(C)CCC#N ZINC000411733135 191208494 /nfs/dbraw/zinc/20/84/94/191208494.db2.gz FLYBJOOYMXCGEW-UHFFFAOYSA-N 2 1 226.368 0.715 20 30 BCEDMP CN(CCC#N)CCCN(C)CC[NH+](C)C ZINC000411733135 191208497 /nfs/dbraw/zinc/20/84/97/191208497.db2.gz FLYBJOOYMXCGEW-UHFFFAOYSA-N 2 1 226.368 0.715 20 30 BCEDMP N#CCNC(=O)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000331001315 353210456 /nfs/dbraw/zinc/21/04/56/353210456.db2.gz QMZRDSPPGZAZRW-JTQLQIEISA-N 2 1 247.302 0.229 20 30 BCEDMP N#CCNC(=O)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000331001315 353210457 /nfs/dbraw/zinc/21/04/57/353210457.db2.gz QMZRDSPPGZAZRW-JTQLQIEISA-N 2 1 247.302 0.229 20 30 BCEDMP C=CC[C@@H](CO)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000349826823 355486033 /nfs/dbraw/zinc/48/60/33/355486033.db2.gz ASPYGIQILYCSAJ-ZDUSSCGKSA-N 2 1 242.363 0.624 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000420288865 192202276 /nfs/dbraw/zinc/20/22/76/192202276.db2.gz JPKVNTCCJGFGGR-LLVKDONJSA-N 2 1 239.363 0.690 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000420288865 192202278 /nfs/dbraw/zinc/20/22/78/192202278.db2.gz JPKVNTCCJGFGGR-LLVKDONJSA-N 2 1 239.363 0.690 20 30 BCEDMP C=CCN1CC[C@@H]([NH2+][C@@H](CN)C(C)(C)C)C1=O ZINC000420364911 192223405 /nfs/dbraw/zinc/22/34/05/192223405.db2.gz PNQJLNCUSKQATP-MNOVXSKESA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000134402876 358789701 /nfs/dbraw/zinc/78/97/01/358789701.db2.gz JGXOMBFZHHUTFC-QWRGUYRKSA-N 2 1 225.336 0.218 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000134402876 358789703 /nfs/dbraw/zinc/78/97/03/358789703.db2.gz JGXOMBFZHHUTFC-QWRGUYRKSA-N 2 1 225.336 0.218 20 30 BCEDMP C=CCNC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435631091 201279927 /nfs/dbraw/zinc/27/99/27/201279927.db2.gz ZURBHXPMLZXYKW-LBPRGKRZSA-N 2 1 239.363 0.753 20 30 BCEDMP C=CCNC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435631091 201279928 /nfs/dbraw/zinc/27/99/28/201279928.db2.gz ZURBHXPMLZXYKW-LBPRGKRZSA-N 2 1 239.363 0.753 20 30 BCEDMP C=CCSCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000381285037 367374524 /nfs/dbraw/zinc/37/45/24/367374524.db2.gz ZGKAODAUSMVEIO-LBPRGKRZSA-N 2 1 244.404 0.950 20 30 BCEDMP C=CCSCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000381285037 367374530 /nfs/dbraw/zinc/37/45/30/367374530.db2.gz ZGKAODAUSMVEIO-LBPRGKRZSA-N 2 1 244.404 0.950 20 30 BCEDMP C#CC[NH+](C)CCCN[C@H]1C[N@H+](C)C[C@H]1C ZINC000382047700 367481998 /nfs/dbraw/zinc/48/19/98/367481998.db2.gz CKEBEVRSELNVCA-OLZOCXBDSA-N 2 1 223.364 0.481 20 30 BCEDMP C#CC[N@@H+](C)CCCN[C@H]1C[NH+](C)C[C@H]1C ZINC000382047700 367482003 /nfs/dbraw/zinc/48/20/03/367482003.db2.gz CKEBEVRSELNVCA-OLZOCXBDSA-N 2 1 223.364 0.481 20 30 BCEDMP C#CC[N@H+](C)CCCN[C@H]1C[NH+](C)C[C@H]1C ZINC000382047700 367482009 /nfs/dbraw/zinc/48/20/09/367482009.db2.gz CKEBEVRSELNVCA-OLZOCXBDSA-N 2 1 223.364 0.481 20 30 BCEDMP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000619673343 369522837 /nfs/dbraw/zinc/52/28/37/369522837.db2.gz GXHZFMGVLYWDKL-WCQYABFASA-N 2 1 237.347 0.725 20 30 BCEDMP C[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)C[NH3+] ZINC000061950769 369892422 /nfs/dbraw/zinc/89/24/22/369892422.db2.gz QPXAKGZXNNMEIY-LBPRGKRZSA-N 2 1 219.288 0.310 20 30 BCEDMP C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)C[NH3+] ZINC000061950769 369892428 /nfs/dbraw/zinc/89/24/28/369892428.db2.gz QPXAKGZXNNMEIY-LBPRGKRZSA-N 2 1 219.288 0.310 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784134 370535674 /nfs/dbraw/zinc/53/56/74/370535674.db2.gz KKMYEOCYDNLIRU-DYEKYZERSA-N 2 1 249.358 0.587 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784134 370535676 /nfs/dbraw/zinc/53/56/76/370535676.db2.gz KKMYEOCYDNLIRU-DYEKYZERSA-N 2 1 249.358 0.587 20 30 BCEDMP C[N@@H+](CCCC#N)CCCN1CC[NH+](C)CC1 ZINC000174723795 384354646 /nfs/dbraw/zinc/35/46/46/384354646.db2.gz YJUQVOQYXQDWCX-UHFFFAOYSA-N 2 1 238.379 0.859 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000491633446 385263834 /nfs/dbraw/zinc/26/38/34/385263834.db2.gz QDHJSHZHJSHCLT-QWHCGFSZSA-N 2 1 249.358 0.342 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000491633446 385263838 /nfs/dbraw/zinc/26/38/38/385263838.db2.gz QDHJSHZHJSHCLT-QWHCGFSZSA-N 2 1 249.358 0.342 20 30 BCEDMP C=CC[C@H](CO)C[NH2+]C1CC[NH+](C)CC1 ZINC000308910603 385283873 /nfs/dbraw/zinc/28/38/73/385283873.db2.gz DPWUBBICKMYCKZ-NSHDSACASA-N 2 1 212.337 0.855 20 30 BCEDMP C#CCNC(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261776028 533141285 /nfs/dbraw/zinc/14/12/85/533141285.db2.gz OROZZOZUHQWLHH-CMPLNLGQSA-N 2 1 234.347 0.267 20 30 BCEDMP C#CCNC(NC[C@H]1CC[N@H+](C2CC2)C1)=[NH+]CC ZINC000262643948 533143088 /nfs/dbraw/zinc/14/30/88/533143088.db2.gz QMRWJJPGAVRDAQ-GFCCVEGCSA-N 2 1 248.374 0.659 20 30 BCEDMP C=CCN1CC[C@H]([N@H+](C)CCC[NH3+])C1=O ZINC000647847162 385896332 /nfs/dbraw/zinc/89/63/32/385896332.db2.gz CWDAIYLZWJREOW-JTQLQIEISA-N 2 1 211.309 0.054 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+](C)CCC[NH3+])C1=O ZINC000647847162 385896334 /nfs/dbraw/zinc/89/63/34/385896334.db2.gz CWDAIYLZWJREOW-JTQLQIEISA-N 2 1 211.309 0.054 20 30 BCEDMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424145705 387769237 /nfs/dbraw/zinc/76/92/37/387769237.db2.gz OGYBPJVCIAKEGC-WDEREUQCSA-N 2 1 238.335 0.170 20 30 BCEDMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424145705 387769244 /nfs/dbraw/zinc/76/92/44/387769244.db2.gz OGYBPJVCIAKEGC-WDEREUQCSA-N 2 1 238.335 0.170 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCOCC1 ZINC000328044452 387779213 /nfs/dbraw/zinc/77/92/13/387779213.db2.gz XZVFSGVIQFTLDV-UHFFFAOYSA-N 2 1 210.321 0.710 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCOCC1 ZINC000328044452 387779216 /nfs/dbraw/zinc/77/92/16/387779216.db2.gz XZVFSGVIQFTLDV-UHFFFAOYSA-N 2 1 210.321 0.710 20 30 BCEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000451610490 388284079 /nfs/dbraw/zinc/28/40/79/388284079.db2.gz GEHLLTUCRBHZQG-UPJWGTAASA-N 2 1 240.347 0.375 20 30 BCEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000451610490 388284080 /nfs/dbraw/zinc/28/40/80/388284080.db2.gz GEHLLTUCRBHZQG-UPJWGTAASA-N 2 1 240.347 0.375 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000491419418 388293145 /nfs/dbraw/zinc/29/31/45/388293145.db2.gz URIVREIWSDGSHN-LBPRGKRZSA-N 2 1 249.358 0.366 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N(CC)CC ZINC000491496760 388299308 /nfs/dbraw/zinc/29/93/08/388299308.db2.gz STJMEQVUAPEWEL-UHFFFAOYSA-N 2 1 224.352 0.808 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC000491725915 388315112 /nfs/dbraw/zinc/31/51/12/388315112.db2.gz FLWSHWCNXXDYQU-UHFFFAOYSA-N 2 1 239.363 0.398 20 30 BCEDMP C#CCNC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000491749643 388317608 /nfs/dbraw/zinc/31/76/08/388317608.db2.gz GVNMSBKUIJUESH-YHWZYXNKSA-N 2 1 249.358 0.341 20 30 BCEDMP C#CC[N@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000491147946 388273329 /nfs/dbraw/zinc/27/33/29/388273329.db2.gz TZRMHVTYDNDPBL-UHFFFAOYSA-N 2 1 237.347 0.106 20 30 BCEDMP C#CC[N@@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000491147946 388273332 /nfs/dbraw/zinc/27/33/32/388273332.db2.gz TZRMHVTYDNDPBL-UHFFFAOYSA-N 2 1 237.347 0.106 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000225884941 134356245 /nfs/dbraw/zinc/35/62/45/134356245.db2.gz JGXOMBFZHHUTFC-WDEREUQCSA-N 2 1 225.336 0.218 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000225884941 134356246 /nfs/dbraw/zinc/35/62/46/134356246.db2.gz JGXOMBFZHHUTFC-WDEREUQCSA-N 2 1 225.336 0.218 20 30 BCEDMP C=CCC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338359872 135033792 /nfs/dbraw/zinc/03/37/92/135033792.db2.gz JIHKTRKCQYTTBN-UHFFFAOYSA-N 2 1 239.363 0.658 20 30 BCEDMP C=CCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338359872 135033795 /nfs/dbraw/zinc/03/37/95/135033795.db2.gz JIHKTRKCQYTTBN-UHFFFAOYSA-N 2 1 239.363 0.658 20 30 BCEDMP Cc1[nH+]ccn1CCNC(=[NH2+])NC(C)C ZINC000261532024 135162095 /nfs/dbraw/zinc/16/20/95/135162095.db2.gz IUBIAXBNPWTZRI-UHFFFAOYSA-N 2 1 209.297 0.504 20 30 BCEDMP C[C@@H](CNC1=[NH+]C[C@H](C)N1)[N@@H+](C)C1CC1 ZINC000261538356 135175371 /nfs/dbraw/zinc/17/53/71/135175371.db2.gz XVBYDHJRKHJZES-IUCAKERBSA-N 2 1 210.325 0.406 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531324 135226573 /nfs/dbraw/zinc/22/65/73/135226573.db2.gz ZPLFQSPKIJEJQM-GHMZBOCLSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531324 135226574 /nfs/dbraw/zinc/22/65/74/135226574.db2.gz ZPLFQSPKIJEJQM-GHMZBOCLSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261585820 135226738 /nfs/dbraw/zinc/22/67/38/135226738.db2.gz QQMKMLFVHOKBGV-PWSUYJOCSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261585820 135226739 /nfs/dbraw/zinc/22/67/39/135226739.db2.gz QQMKMLFVHOKBGV-PWSUYJOCSA-N 2 1 225.336 0.348 20 30 BCEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000261996059 135270669 /nfs/dbraw/zinc/27/06/69/135270669.db2.gz NUHSJYHHIKHMLZ-LLVKDONJSA-N 2 1 236.363 0.951 20 30 BCEDMP CN1CC[NH+]=C1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000262419834 135296110 /nfs/dbraw/zinc/29/61/10/135296110.db2.gz BBCXWUJCZJFCRJ-LBPRGKRZSA-N 2 1 236.363 0.894 20 30 BCEDMP CCC[N@H+]1CCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262639557 135310335 /nfs/dbraw/zinc/31/03/35/135310335.db2.gz HKUPQSKOSOKYDM-QWRGUYRKSA-N 2 1 224.352 0.798 20 30 BCEDMP C[C@@H]1C[NH+]=C(NCC[N@H+]2CC=CCC2)N1 ZINC000262666565 135312480 /nfs/dbraw/zinc/31/24/80/135312480.db2.gz OZDTUZWMIWRFIZ-SNVBAGLBSA-N 2 1 208.309 0.186 20 30 BCEDMP C[C@@H]1C[NH+]=C(NCC[N@@H+]2CC=CCC2)N1 ZINC000262666565 135312481 /nfs/dbraw/zinc/31/24/81/135312481.db2.gz OZDTUZWMIWRFIZ-SNVBAGLBSA-N 2 1 208.309 0.186 20 30 BCEDMP C=CCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687309 398036446 /nfs/dbraw/zinc/03/64/46/398036446.db2.gz MFWJZAQQAADZSB-UHFFFAOYSA-N 2 1 239.363 0.658 20 30 BCEDMP C=CCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687309 398036447 /nfs/dbraw/zinc/03/64/47/398036447.db2.gz MFWJZAQQAADZSB-UHFFFAOYSA-N 2 1 239.363 0.658 20 30 BCEDMP C[C@@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CC[N@H+]1C ZINC000353978871 176376414 /nfs/dbraw/zinc/37/64/14/176376414.db2.gz OGQWYPPVMJVPHE-MNOVXSKESA-N 2 1 248.334 0.222 20 30 BCEDMP C[C@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CC[N@H+]1C ZINC000353978873 177370753 /nfs/dbraw/zinc/37/07/53/177370753.db2.gz OGQWYPPVMJVPHE-WDEREUQCSA-N 2 1 248.334 0.222 20 30 BCEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248516750 323023930 /nfs/dbraw/zinc/02/39/30/323023930.db2.gz OYTPEVKRVUOEEK-GRYCIOLGSA-N 2 1 212.337 0.996 20 30 BCEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248516750 323023931 /nfs/dbraw/zinc/02/39/31/323023931.db2.gz OYTPEVKRVUOEEK-GRYCIOLGSA-N 2 1 212.337 0.996 20 30 BCEDMP CC[NH+]1CCN(CCCC[NH2+]CCC#N)CC1 ZINC000571634553 323150077 /nfs/dbraw/zinc/15/00/77/323150077.db2.gz VKKVAFFEHSLXJB-UHFFFAOYSA-N 2 1 238.379 0.907 20 30 BCEDMP C=CCC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000320666486 323182913 /nfs/dbraw/zinc/18/29/13/323182913.db2.gz RMUSPVJGTJZYOA-YPMHNXCESA-N 2 1 242.363 0.358 20 30 BCEDMP C=CCC[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000320666486 323182914 /nfs/dbraw/zinc/18/29/14/323182914.db2.gz RMUSPVJGTJZYOA-YPMHNXCESA-N 2 1 242.363 0.358 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC000491508166 488033614 /nfs/dbraw/zinc/03/36/14/488033614.db2.gz YPOUPNFIROJWTB-GFCCVEGCSA-N 2 1 237.347 0.152 20 30 BCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000491508166 488033620 /nfs/dbraw/zinc/03/36/20/488033620.db2.gz YPOUPNFIROJWTB-GFCCVEGCSA-N 2 1 237.347 0.152 20 30 BCEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000491508166 488033626 /nfs/dbraw/zinc/03/36/26/488033626.db2.gz YPOUPNFIROJWTB-GFCCVEGCSA-N 2 1 237.347 0.152 20 30 BCEDMP C=C[C@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000309655973 490172133 /nfs/dbraw/zinc/17/21/33/490172133.db2.gz VSMLSDLAUMPIGF-GFCCVEGCSA-N 2 1 224.348 0.997 20 30 BCEDMP C=CCNC(=[NH2+])NCCn1cc[nH+]c1C ZINC000261747738 534845372 /nfs/dbraw/zinc/84/53/72/534845372.db2.gz JFVQLIVHTYLKFB-UHFFFAOYSA-N 2 1 207.281 0.282 20 30 BCEDMP C#CC[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000491045791 526802994 /nfs/dbraw/zinc/80/29/94/526802994.db2.gz MYRHULQZVGVCNQ-UHFFFAOYSA-N 2 1 237.391 0.968 20 30 BCEDMP CCC[N@@H+](CC)CCNC1=[NH+]CCN1C ZINC000261538599 535297441 /nfs/dbraw/zinc/29/74/41/535297441.db2.gz YRXWQTBSTMPPIV-UHFFFAOYSA-N 2 1 212.341 0.609 20 30 BCEDMP CC[C@@H](C)[N@@H+](C)CCNC1=[NH+]CCN1C ZINC000261530926 535549105 /nfs/dbraw/zinc/54/91/05/535549105.db2.gz DNKLPAKNXHHQAQ-SNVBAGLBSA-N 2 1 212.341 0.608 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000261993096 535549397 /nfs/dbraw/zinc/54/93/97/535549397.db2.gz MXHSKQOVQANACJ-HBNTYKKESA-N 2 1 224.352 0.783 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CC12CC2 ZINC000263066221 535597770 /nfs/dbraw/zinc/59/77/70/535597770.db2.gz OEKPPOGDSNGSLO-QWRGUYRKSA-N 2 1 236.363 0.928 20 30 BCEDMP CCNC(NCCn1cc[nH+]c1C)=[NH+]CC ZINC000264134289 535787005 /nfs/dbraw/zinc/78/70/05/535787005.db2.gz ZEVOMBBXTNFZSZ-UHFFFAOYSA-N 2 1 223.324 0.767 20 30 BCEDMP CNC(NCCCC[N@@H+](C)C1CC1)=[NH+]C ZINC000849039542 582838448 /nfs/dbraw/zinc/83/84/48/582838448.db2.gz DZGPDCRTRHMDOH-UHFFFAOYSA-N 2 1 212.341 0.656 20 30 BCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880140891 583472890 /nfs/dbraw/zinc/47/28/90/583472890.db2.gz FCBQKSAAGRRBER-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCNC(=O)CCN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880140891 583472892 /nfs/dbraw/zinc/47/28/92/583472892.db2.gz FCBQKSAAGRRBER-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCNC(=O)CCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140891 583472895 /nfs/dbraw/zinc/47/28/95/583472895.db2.gz FCBQKSAAGRRBER-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899272717 584191884 /nfs/dbraw/zinc/19/18/84/584191884.db2.gz NPAITVSQBYDULU-NSHDSACASA-N 2 1 236.363 0.854 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C)CC1 ZINC000899905061 584251474 /nfs/dbraw/zinc/25/14/74/584251474.db2.gz QFLIFWAQCDZJCO-UHFFFAOYSA-N 2 1 225.336 0.268 20 30 BCEDMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(CCC#N)CC1 ZINC000903475983 584776758 /nfs/dbraw/zinc/77/67/58/584776758.db2.gz JQAASXPKMUUQLF-OLZOCXBDSA-N 2 1 236.363 0.373 20 30 BCEDMP C=CC[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903905353 584820963 /nfs/dbraw/zinc/82/09/63/584820963.db2.gz CSLRFTACHKVJQC-LBPRGKRZSA-N 2 1 236.363 0.964 20 30 BCEDMP C=C(C)C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000778232449 585728614 /nfs/dbraw/zinc/72/86/14/585728614.db2.gz ZKEBKZYAVFMVLF-GFCCVEGCSA-N 2 1 212.337 0.951 20 30 BCEDMP C=C(C)C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000778232449 585728615 /nfs/dbraw/zinc/72/86/15/585728615.db2.gz ZKEBKZYAVFMVLF-GFCCVEGCSA-N 2 1 212.337 0.951 20 30 BCEDMP C[C@@H]1C[N@H+](C2CC2)CC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779786481 585763238 /nfs/dbraw/zinc/76/32/38/585763238.db2.gz RFOOVOGDFKWONB-BDAKNGLRSA-N 2 1 235.335 0.394 20 30 BCEDMP C[C@@H]1C[N@@H+](C2CC2)CC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779786481 585763239 /nfs/dbraw/zinc/76/32/39/585763239.db2.gz RFOOVOGDFKWONB-BDAKNGLRSA-N 2 1 235.335 0.394 20 30 BCEDMP C[C@H]1CNC(NN=C2CC[N@@H+](C)[C@@H](C)C2)=[NH+]1 ZINC000779794150 585763915 /nfs/dbraw/zinc/76/39/15/585763915.db2.gz CZKCKTARZOCARL-IUCAKERBSA-N 2 1 223.324 0.394 20 30 BCEDMP C#CCNC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000815016029 586663869 /nfs/dbraw/zinc/66/38/69/586663869.db2.gz WENRYBNEUBJTQG-UHFFFAOYSA-N 2 1 237.347 0.152 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)NC1C[NH+](C(C)C)C1 ZINC000837546894 587881159 /nfs/dbraw/zinc/88/11/59/587881159.db2.gz VHLAUEZSOFDZOY-UHFFFAOYSA-N 2 1 225.336 0.313 20 30 BCEDMP NC(=[NH2+])N=NC1CCC[N@H+]2CCCC[C@H]12 ZINC000848405032 588378248 /nfs/dbraw/zinc/37/82/48/588378248.db2.gz XEQTZMASKNURHO-SECBINFHSA-N 2 1 209.297 0.474 20 30 BCEDMP C1C[NH+]=C(N=NC2CCC[N@@H+]3CCCC[C@H]23)N1 ZINC000848411661 588380592 /nfs/dbraw/zinc/38/05/92/588380592.db2.gz BENGPGMHEXDHNN-LLVKDONJSA-N 2 1 235.335 0.540 20 30 BCEDMP C1C[NH+]=C(N=NC2CCC[N@H+]3CCCC[C@H]23)N1 ZINC000848411661 588380593 /nfs/dbraw/zinc/38/05/93/588380593.db2.gz BENGPGMHEXDHNN-LLVKDONJSA-N 2 1 235.335 0.540 20 30 BCEDMP C[NH+]=C(NC[C@@H](C)[N@@H+](C)C1CC1)NC1CC1 ZINC000849001684 588431291 /nfs/dbraw/zinc/43/12/91/588431291.db2.gz QPFATIVERPNBAY-SECBINFHSA-N 2 1 224.352 0.797 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C#N ZINC000849003860 588431772 /nfs/dbraw/zinc/43/17/72/588431772.db2.gz KHROODVZFNARNW-QWRGUYRKSA-N 2 1 237.351 0.744 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cn1cncn1 ZINC000850472203 588549083 /nfs/dbraw/zinc/54/90/83/588549083.db2.gz WOJHMPWBPSZCGG-GFCCVEGCSA-N 2 1 235.335 0.211 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cn1cncn1 ZINC000850472203 588549085 /nfs/dbraw/zinc/54/90/85/588549085.db2.gz WOJHMPWBPSZCGG-GFCCVEGCSA-N 2 1 235.335 0.211 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cn1cncn1 ZINC000850472204 588549216 /nfs/dbraw/zinc/54/92/16/588549216.db2.gz WOJHMPWBPSZCGG-LBPRGKRZSA-N 2 1 235.335 0.211 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cn1cncn1 ZINC000850472204 588549217 /nfs/dbraw/zinc/54/92/17/588549217.db2.gz WOJHMPWBPSZCGG-LBPRGKRZSA-N 2 1 235.335 0.211 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872153429 589885362 /nfs/dbraw/zinc/88/53/62/589885362.db2.gz ABNKNENJHSDVED-OUCADQQQSA-N 2 1 249.358 0.315 20 30 BCEDMP C#CCCC[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000879355559 590752426 /nfs/dbraw/zinc/75/24/26/590752426.db2.gz FOOICPMMULAINV-UHFFFAOYSA-N 2 1 237.347 0.106 20 30 BCEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579652 590817524 /nfs/dbraw/zinc/81/75/24/590817524.db2.gz AQDFOZQPDJPRNG-FRRDWIJNSA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579652 590817528 /nfs/dbraw/zinc/81/75/28/590817528.db2.gz AQDFOZQPDJPRNG-FRRDWIJNSA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579652 590817531 /nfs/dbraw/zinc/81/75/31/590817531.db2.gz AQDFOZQPDJPRNG-FRRDWIJNSA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579652 590817535 /nfs/dbraw/zinc/81/75/35/590817535.db2.gz AQDFOZQPDJPRNG-FRRDWIJNSA-N 2 1 237.347 0.941 20 30 BCEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000104172199 634566421 /nfs/dbraw/zinc/56/64/21/634566421.db2.gz SIJZQJKSZWNFKK-NSHDSACASA-N 2 1 242.367 0.269 20 30 BCEDMP CCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000104172179 634567048 /nfs/dbraw/zinc/56/70/48/634567048.db2.gz DDVMUHMNQTWYRK-SNVBAGLBSA-N 2 1 212.341 0.643 20 30 BCEDMP C[C@@H]1C[C@@H]1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104174127 634568428 /nfs/dbraw/zinc/56/84/28/634568428.db2.gz GQEQNASLCUKODR-MNOVXSKESA-N 2 1 240.351 0.021 20 30 BCEDMP COCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000155921203 632118064 /nfs/dbraw/zinc/11/80/64/632118064.db2.gz LSXNFYDSZQIZEL-JTQLQIEISA-N 2 1 240.351 0.021 20 30 BCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001023084318 632124825 /nfs/dbraw/zinc/12/48/25/632124825.db2.gz NGTPTWDPXLOCGJ-SDDRHHMPSA-N 2 1 237.347 0.361 20 30 BCEDMP CCNC(NC[C@H](C)[NH+](C)C)=[NH+]CC ZINC000066245750 632860131 /nfs/dbraw/zinc/86/01/31/632860131.db2.gz NOLLHEOTZJTGKW-VIFPVBQESA-N 2 1 200.330 0.512 20 30 BCEDMP CNC(NCCC[N@@H+](C)C(C)C)=[NH+]C ZINC000066245426 632861758 /nfs/dbraw/zinc/86/17/58/632861758.db2.gz YUBUATQXUBLZMI-UHFFFAOYSA-N 2 1 200.330 0.512 20 30 BCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028981168 635860536 /nfs/dbraw/zinc/86/05/36/635860536.db2.gz JDGTZKWNYNHZRS-CHWSQXEVSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028981168 635860542 /nfs/dbraw/zinc/86/05/42/635860542.db2.gz JDGTZKWNYNHZRS-CHWSQXEVSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001028981168 635860548 /nfs/dbraw/zinc/86/05/48/635860548.db2.gz JDGTZKWNYNHZRS-CHWSQXEVSA-N 2 1 249.358 0.009 20 30 BCEDMP CC[N@@H+](CCNC(=[NH2+])N1CCOCC1)C1CC1 ZINC000303983228 636319613 /nfs/dbraw/zinc/31/96/13/636319613.db2.gz QXXXMYLMIHRBSL-UHFFFAOYSA-N 2 1 240.351 0.118 20 30 BCEDMP C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905449139 637810042 /nfs/dbraw/zinc/81/00/42/637810042.db2.gz CTYIBORUTIKZLX-WCQYABFASA-N 2 1 242.363 0.358 20 30 BCEDMP C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000905449139 637810045 /nfs/dbraw/zinc/81/00/45/637810045.db2.gz CTYIBORUTIKZLX-WCQYABFASA-N 2 1 242.363 0.358 20 30 BCEDMP C#CC[NH2+]CC(=O)Nc1ccccc1C[NH2+]C ZINC000911686071 639726267 /nfs/dbraw/zinc/72/62/67/639726267.db2.gz YCJAWBIFVYHJKY-UHFFFAOYSA-N 2 1 231.299 0.567 20 30 BCEDMP C#CC[NH2+]CC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000911687887 639726826 /nfs/dbraw/zinc/72/68/26/639726826.db2.gz JCIANRCZUFDSDV-UHFFFAOYSA-N 2 1 231.299 0.567 20 30 BCEDMP C#CCOCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931313372 640149617 /nfs/dbraw/zinc/14/96/17/640149617.db2.gz AYNPCIGKMRJIET-OKILXGFUSA-N 2 1 236.359 0.910 20 30 BCEDMP C#CCOCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931313372 640149623 /nfs/dbraw/zinc/14/96/23/640149623.db2.gz AYNPCIGKMRJIET-OKILXGFUSA-N 2 1 236.359 0.910 20 30 BCEDMP C#CCOCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931313372 640149627 /nfs/dbraw/zinc/14/96/27/640149627.db2.gz AYNPCIGKMRJIET-OKILXGFUSA-N 2 1 236.359 0.910 20 30 BCEDMP C#CCOCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931313372 640149635 /nfs/dbraw/zinc/14/96/35/640149635.db2.gz AYNPCIGKMRJIET-OKILXGFUSA-N 2 1 236.359 0.910 20 30 BCEDMP C[C@@H](C#N)OCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933731593 640752718 /nfs/dbraw/zinc/75/27/18/640752718.db2.gz CUTQWATVPXKEKK-RWMBFGLXSA-N 2 1 237.347 0.799 20 30 BCEDMP C[C@@H](C#N)OCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933731593 640752726 /nfs/dbraw/zinc/75/27/26/640752726.db2.gz CUTQWATVPXKEKK-RWMBFGLXSA-N 2 1 237.347 0.799 20 30 BCEDMP C[C@@H](C#N)OCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933731593 640752734 /nfs/dbraw/zinc/75/27/34/640752734.db2.gz CUTQWATVPXKEKK-RWMBFGLXSA-N 2 1 237.347 0.799 20 30 BCEDMP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000933297220 642512252 /nfs/dbraw/zinc/51/22/52/642512252.db2.gz ZRKNIVHGWCVUOP-CYBMUJFWSA-N 2 1 236.359 0.977 20 30 BCEDMP C#CCC1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000933297220 642512260 /nfs/dbraw/zinc/51/22/60/642512260.db2.gz ZRKNIVHGWCVUOP-CYBMUJFWSA-N 2 1 236.359 0.977 20 30 BCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000967897146 642805196 /nfs/dbraw/zinc/80/51/96/642805196.db2.gz XLYFVHINFPCGFV-VXGBXAGGSA-N 2 1 237.347 0.457 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC)C1 ZINC000968956710 642820804 /nfs/dbraw/zinc/82/08/04/642820804.db2.gz VCNJUIIAJTVXMQ-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC)C1 ZINC000968956710 642820808 /nfs/dbraw/zinc/82/08/08/642820808.db2.gz VCNJUIIAJTVXMQ-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000968924408 642822017 /nfs/dbraw/zinc/82/20/17/642822017.db2.gz GLKIESVYIXJYFL-GFCCVEGCSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010370608 642860054 /nfs/dbraw/zinc/86/00/54/642860054.db2.gz ZAVYTWBMJRIPBK-VXGBXAGGSA-N 2 1 237.347 0.457 20 30 BCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370608 642860056 /nfs/dbraw/zinc/86/00/56/642860056.db2.gz ZAVYTWBMJRIPBK-VXGBXAGGSA-N 2 1 237.347 0.457 20 30 BCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370608 642860060 /nfs/dbraw/zinc/86/00/60/642860060.db2.gz ZAVYTWBMJRIPBK-VXGBXAGGSA-N 2 1 237.347 0.457 20 30 BCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010381848 642861999 /nfs/dbraw/zinc/86/19/99/642861999.db2.gz DFDURQWITNOMDZ-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010381848 642861994 /nfs/dbraw/zinc/86/19/94/642861994.db2.gz DFDURQWITNOMDZ-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010381848 642861997 /nfs/dbraw/zinc/86/19/97/642861997.db2.gz DFDURQWITNOMDZ-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010381846 642862094 /nfs/dbraw/zinc/86/20/94/642862094.db2.gz DFDURQWITNOMDZ-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010381846 642862095 /nfs/dbraw/zinc/86/20/95/642862095.db2.gz DFDURQWITNOMDZ-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010381846 642862096 /nfs/dbraw/zinc/86/20/96/642862096.db2.gz DFDURQWITNOMDZ-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP CN(C(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000181464777 642874782 /nfs/dbraw/zinc/87/47/82/642874782.db2.gz ZWXOUTSUYNTOCQ-JTQLQIEISA-N 2 1 236.363 0.880 20 30 BCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015995434 642941413 /nfs/dbraw/zinc/94/14/13/642941413.db2.gz VBTRMJHBKSOJDE-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015995434 642941419 /nfs/dbraw/zinc/94/14/19/642941419.db2.gz VBTRMJHBKSOJDE-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015995434 642941424 /nfs/dbraw/zinc/94/14/24/642941424.db2.gz VBTRMJHBKSOJDE-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000969353049 643151075 /nfs/dbraw/zinc/15/10/75/643151075.db2.gz NCUVVKYHFZNJBL-GFCCVEGCSA-N 2 1 248.330 0.568 20 30 BCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969380332 643158321 /nfs/dbraw/zinc/15/83/21/643158321.db2.gz DBDMTJJUKXTLOL-WCQYABFASA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969380332 643158330 /nfs/dbraw/zinc/15/83/30/643158330.db2.gz DBDMTJJUKXTLOL-WCQYABFASA-N 2 1 249.358 0.150 20 30 BCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001021053752 643394739 /nfs/dbraw/zinc/39/47/39/643394739.db2.gz YOEFNHBCGGALLA-HAQNSBGRSA-N 2 1 248.330 0.614 20 30 BCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999831796 643742426 /nfs/dbraw/zinc/74/24/26/643742426.db2.gz LVCOZTJNNOXJFN-HIFPTAJRSA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001000921160 643798927 /nfs/dbraw/zinc/79/89/27/643798927.db2.gz XHLHZDFVVFZLTN-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C[NH+]=C(NCC1CC1)NC[C@H]1CC[N@@H+](C)C1 ZINC000080520521 644273445 /nfs/dbraw/zinc/27/34/45/644273445.db2.gz IFFROZMGVMQVCN-LLVKDONJSA-N 2 1 224.352 0.513 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000923295071 644332392 /nfs/dbraw/zinc/33/23/92/644332392.db2.gz RNCZDKJYTDELSU-NWDGAFQWSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000923295071 644332386 /nfs/dbraw/zinc/33/23/86/644332386.db2.gz RNCZDKJYTDELSU-NWDGAFQWSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923332311 644351847 /nfs/dbraw/zinc/35/18/47/644351847.db2.gz KXVDLGHCKBKGAY-WUHRBBMRSA-N 2 1 224.348 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331771 644360670 /nfs/dbraw/zinc/36/06/70/644360670.db2.gz ICOQCNZZCFCRBG-QWHCGFSZSA-N 2 1 224.348 0.999 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923357806 644366528 /nfs/dbraw/zinc/36/65/28/644366528.db2.gz RWQNVSOPSOMMLS-RYUDHWBXSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000923357806 644366534 /nfs/dbraw/zinc/36/65/34/644366534.db2.gz RWQNVSOPSOMMLS-RYUDHWBXSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923355540 644373744 /nfs/dbraw/zinc/37/37/44/644373744.db2.gz NJGDIQXRUZEMFH-NWDGAFQWSA-N 2 1 212.337 0.984 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000923378971 644391933 /nfs/dbraw/zinc/39/19/33/644391933.db2.gz MFMHEUQWKKMUJT-NEPJUHHUSA-N 2 1 228.336 0.363 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+](C)CCOCC[NH3+] ZINC000923403082 644407965 /nfs/dbraw/zinc/40/79/65/644407965.db2.gz NTJHOCRKVZXJEH-NSHDSACASA-N 2 1 216.325 0.221 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499125 644473107 /nfs/dbraw/zinc/47/31/07/644473107.db2.gz KCRVIUVPJWKTPH-GRYCIOLGSA-N 2 1 239.363 0.594 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521005 644482391 /nfs/dbraw/zinc/48/23/91/644482391.db2.gz XLFQOXIWNSYFCS-SDDRHHMPSA-N 2 1 237.347 0.218 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521005 644482393 /nfs/dbraw/zinc/48/23/93/644482393.db2.gz XLFQOXIWNSYFCS-SDDRHHMPSA-N 2 1 237.347 0.218 20 30 BCEDMP C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000923552012 644496317 /nfs/dbraw/zinc/49/63/17/644496317.db2.gz RYYCHUKDWVHBSJ-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000923552012 644496320 /nfs/dbraw/zinc/49/63/20/644496320.db2.gz RYYCHUKDWVHBSJ-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC000958378897 644792296 /nfs/dbraw/zinc/79/22/96/644792296.db2.gz RKHKSSNRAKQYSD-XQHKEYJVSA-N 2 1 249.358 0.313 20 30 BCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958378897 644792299 /nfs/dbraw/zinc/79/22/99/644792299.db2.gz RKHKSSNRAKQYSD-XQHKEYJVSA-N 2 1 249.358 0.313 20 30 BCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958378897 644792303 /nfs/dbraw/zinc/79/23/03/644792303.db2.gz RKHKSSNRAKQYSD-XQHKEYJVSA-N 2 1 249.358 0.313 20 30 BCEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303883849 644853820 /nfs/dbraw/zinc/85/38/20/644853820.db2.gz IUQZQAWQQNHIEM-LLVKDONJSA-N 2 1 224.352 0.739 20 30 BCEDMP CCCNC(=[NH2+])NCCC[N@@H+](C)CCOC ZINC000303911822 644857587 /nfs/dbraw/zinc/85/75/87/644857587.db2.gz ZVJOKDKROGTJPE-UHFFFAOYSA-N 2 1 230.356 0.269 20 30 BCEDMP CCOCCCNC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000303973017 644860481 /nfs/dbraw/zinc/86/04/81/644860481.db2.gz GIZMLPRSXQMQAO-UHFFFAOYSA-N 2 1 244.383 0.658 20 30 BCEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)COC ZINC000303969063 644861747 /nfs/dbraw/zinc/86/17/47/644861747.db2.gz BJHRUBWNUBRXFE-WDEREUQCSA-N 2 1 244.383 0.656 20 30 BCEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925629869 646374354 /nfs/dbraw/zinc/37/43/54/646374354.db2.gz MBVBQNQBYLUAHM-GRYCIOLGSA-N 2 1 212.337 0.901 20 30 BCEDMP N#Cc1ccc(NCC[NH2+][C@H]2CCC[C@@H]2[NH3+])nc1 ZINC000925892987 646534450 /nfs/dbraw/zinc/53/44/50/646534450.db2.gz JDSIQJGNYYGXCI-RYUDHWBXSA-N 2 1 245.330 0.835 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712139 711535262 /nfs/dbraw/zinc/53/52/62/711535262.db2.gz NCIFSAPQVMSETE-GHMZBOCLSA-N 2 1 225.336 0.348 20 30 BCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039026824 710717619 /nfs/dbraw/zinc/71/76/19/710717619.db2.gz IJHYREIYSHCNQL-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039026824 710717625 /nfs/dbraw/zinc/71/76/25/710717625.db2.gz IJHYREIYSHCNQL-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039026824 710717629 /nfs/dbraw/zinc/71/76/29/710717629.db2.gz IJHYREIYSHCNQL-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039026823 710717764 /nfs/dbraw/zinc/71/77/64/710717764.db2.gz IJHYREIYSHCNQL-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039026823 710717767 /nfs/dbraw/zinc/71/77/67/710717767.db2.gz IJHYREIYSHCNQL-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039026823 710717771 /nfs/dbraw/zinc/71/77/71/710717771.db2.gz IJHYREIYSHCNQL-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C[N@H+]1CC[C@@H]2C[NH+](CCOCCC#N)C[C@@H]2C1 ZINC000385177469 711007400 /nfs/dbraw/zinc/00/74/00/711007400.db2.gz ASWIWNUZZXWOQW-OLZOCXBDSA-N 2 1 237.347 0.800 20 30 BCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000970478583 711477932 /nfs/dbraw/zinc/47/79/32/711477932.db2.gz MGWOAJFGBHWMMY-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000714994982 712503195 /nfs/dbraw/zinc/50/31/95/712503195.db2.gz DLDQKNKPXJUJFO-NEPJUHHUSA-N 2 1 239.363 0.738 20 30 BCEDMP C=CC[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000714997025 712503382 /nfs/dbraw/zinc/50/33/82/712503382.db2.gz XRRRYDGMVCDGFV-CHWSQXEVSA-N 2 1 223.364 0.931 20 30 BCEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000203305164 136208604 /nfs/dbraw/zinc/20/86/04/136208604.db2.gz MITZELJONFIRHP-JTQLQIEISA-N 2 1 224.352 0.785 20 30 BCEDMP C=CC[C@H](CO)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423020275 398162589 /nfs/dbraw/zinc/16/25/89/398162589.db2.gz ZRBBVJYMBUNPDK-SRVKXCTJSA-N 2 1 212.337 0.759 20 30 BCEDMP C[C@H](CNC1=[NH+]CCN1C)[N@H+]1CCC[C@@H](C)C1 ZINC000262669768 136374764 /nfs/dbraw/zinc/37/47/64/136374764.db2.gz QMOLGNMNJQKYHQ-VXGBXAGGSA-N 2 1 238.379 0.998 20 30 BCEDMP N#CCC1(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000085283363 344516663 /nfs/dbraw/zinc/51/66/63/344516663.db2.gz IEYCBAYHKXMBLB-PHIMTYICSA-N 2 1 205.305 0.831 20 30 BCEDMP N#CCC1(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000085283363 344516665 /nfs/dbraw/zinc/51/66/65/344516665.db2.gz IEYCBAYHKXMBLB-PHIMTYICSA-N 2 1 205.305 0.831 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252879284 345591233 /nfs/dbraw/zinc/59/12/33/345591233.db2.gz XSKLPUUQZRCLDO-SDDRHHMPSA-N 2 1 237.347 0.348 20 30 BCEDMP CNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000195522116 347457356 /nfs/dbraw/zinc/45/73/56/347457356.db2.gz NXFPOIMUBVXJDV-JTQLQIEISA-N 2 1 236.319 0.951 20 30 BCEDMP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000592047392 347724415 /nfs/dbraw/zinc/72/44/15/347724415.db2.gz KZASWERCKAZXNC-MNOVXSKESA-N 2 1 238.335 0.218 20 30 BCEDMP C=C[C@H](CO)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623574181 363004000 /nfs/dbraw/zinc/00/40/00/363004000.db2.gz GYTAYDURRIGACB-MNOVXSKESA-N 2 1 212.337 0.996 20 30 BCEDMP C=C[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623574181 363004006 /nfs/dbraw/zinc/00/40/06/363004006.db2.gz GYTAYDURRIGACB-MNOVXSKESA-N 2 1 212.337 0.996 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070074594 353253365 /nfs/dbraw/zinc/25/33/65/353253365.db2.gz IKQMQAXXVAYIAR-SRVKXCTJSA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070074594 353253367 /nfs/dbraw/zinc/25/33/67/353253367.db2.gz IKQMQAXXVAYIAR-SRVKXCTJSA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252740491 353302675 /nfs/dbraw/zinc/30/26/75/353302675.db2.gz JGXOMBFZHHUTFC-GHMZBOCLSA-N 2 1 225.336 0.218 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252740491 353302677 /nfs/dbraw/zinc/30/26/77/353302677.db2.gz JGXOMBFZHHUTFC-GHMZBOCLSA-N 2 1 225.336 0.218 20 30 BCEDMP C=CC[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000282442969 353478930 /nfs/dbraw/zinc/47/89/30/353478930.db2.gz IFVHLVWUPKDDFL-UHFFFAOYSA-N 2 1 225.336 0.268 20 30 BCEDMP C=CC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000282442969 353478935 /nfs/dbraw/zinc/47/89/35/353478935.db2.gz IFVHLVWUPKDDFL-UHFFFAOYSA-N 2 1 225.336 0.268 20 30 BCEDMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000336781990 353704535 /nfs/dbraw/zinc/70/45/35/353704535.db2.gz WIUAUKWEIGXILB-GRYCIOLGSA-N 2 1 225.336 0.581 20 30 BCEDMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000336781992 353704655 /nfs/dbraw/zinc/70/46/55/353704655.db2.gz WIUAUKWEIGXILB-QJPTWQEYSA-N 2 1 225.336 0.581 20 30 BCEDMP NC(=[NH2+])N=NC1CC[N@@H+](Cc2ccccc2)C1 ZINC000252453826 363261521 /nfs/dbraw/zinc/26/15/21/363261521.db2.gz WKWBNOISLIHRJV-UHFFFAOYSA-N 2 1 231.303 0.731 20 30 BCEDMP C=C[C@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639325733 355725170 /nfs/dbraw/zinc/72/51/70/355725170.db2.gz BGLYCDCGSAHWSY-LLVKDONJSA-N 2 1 242.363 0.358 20 30 BCEDMP C[N@H+](C[C@@H](O)C[NH2+]CCCC#N)C1CC1 ZINC000582602272 357348263 /nfs/dbraw/zinc/34/82/63/357348263.db2.gz UQDZHTYLOMZIBV-NSHDSACASA-N 2 1 211.309 0.335 20 30 BCEDMP C[N@@H+](C[C@@H](O)C[NH2+]CCCC#N)C1CC1 ZINC000582602272 357348266 /nfs/dbraw/zinc/34/82/66/357348266.db2.gz UQDZHTYLOMZIBV-NSHDSACASA-N 2 1 211.309 0.335 20 30 BCEDMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC#N)CC1 ZINC000397187302 357508777 /nfs/dbraw/zinc/50/87/77/357508777.db2.gz MODMSMYWEQGQND-CYBMUJFWSA-N 2 1 239.363 0.925 20 30 BCEDMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC#N)CC1 ZINC000397187302 357508780 /nfs/dbraw/zinc/50/87/80/357508780.db2.gz MODMSMYWEQGQND-CYBMUJFWSA-N 2 1 239.363 0.925 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368391 358439192 /nfs/dbraw/zinc/43/91/92/358439192.db2.gz QKWOUKSNCJCYFB-ZDUSSCGKSA-N 2 1 221.348 0.331 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NC1CC1 ZINC000382016518 367478176 /nfs/dbraw/zinc/47/81/76/367478176.db2.gz OLKFUALREADACW-UHFFFAOYSA-N 2 1 208.309 0.218 20 30 BCEDMP C=CCNC(=[NH2+])NCCC[N@H+](C)C(C)C ZINC000066245417 368642639 /nfs/dbraw/zinc/64/26/39/368642639.db2.gz BEZFRLPZTIERPP-UHFFFAOYSA-N 2 1 212.341 0.807 20 30 BCEDMP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000619673344 369522403 /nfs/dbraw/zinc/52/24/03/369522403.db2.gz GXHZFMGVLYWDKL-YPMHNXCESA-N 2 1 237.347 0.725 20 30 BCEDMP C[C@@H](C[NH2+]CCC#N)CN1CC[NH+](C)CC1 ZINC000568501470 326360295 /nfs/dbraw/zinc/36/02/95/326360295.db2.gz XIWGNKBVJVLINB-LBPRGKRZSA-N 2 1 224.352 0.373 20 30 BCEDMP C#CCNC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367849812 384176343 /nfs/dbraw/zinc/17/63/43/384176343.db2.gz ZIGYTJYBIGKZRW-JSGCOSHPSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405410251 384296094 /nfs/dbraw/zinc/29/60/94/384296094.db2.gz TXYHGTYMHAAFFY-DTWKUNHWSA-N 2 1 211.309 0.004 20 30 BCEDMP CC[C@@H](CC#N)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000564465331 384870828 /nfs/dbraw/zinc/87/08/28/384870828.db2.gz LDNUUHTZBGSLTM-CMPLNLGQSA-N 2 1 225.336 0.723 20 30 BCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COCC)CC1 ZINC000644549096 384951995 /nfs/dbraw/zinc/95/19/95/384951995.db2.gz QCSQCFBICWJJDW-ZDUSSCGKSA-N 2 1 242.363 0.624 20 30 BCEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414978569 386034357 /nfs/dbraw/zinc/03/43/57/386034357.db2.gz RYJZWIBROMKPMC-NWDGAFQWSA-N 2 1 211.353 0.834 20 30 BCEDMP C#CCN(CC(O)C[N@@H+](CC#C)C1CC1)C1CC1 ZINC000278342821 387553075 /nfs/dbraw/zinc/55/30/75/387553075.db2.gz MBXNONDOXSWVDL-UHFFFAOYSA-N 2 1 246.354 0.543 20 30 BCEDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000446756457 388037081 /nfs/dbraw/zinc/03/70/81/388037081.db2.gz IPLLDMSTYDCCBA-AVGNSLFASA-N 2 1 237.347 0.725 20 30 BCEDMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000446756457 388037084 /nfs/dbraw/zinc/03/70/84/388037084.db2.gz IPLLDMSTYDCCBA-AVGNSLFASA-N 2 1 237.347 0.725 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cn1cccn1 ZINC000491071202 388268106 /nfs/dbraw/zinc/26/81/06/388268106.db2.gz IMNFPTLFNBSYLZ-CYBMUJFWSA-N 2 1 234.347 0.816 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cn1cccn1 ZINC000491071202 388268107 /nfs/dbraw/zinc/26/81/07/388268107.db2.gz IMNFPTLFNBSYLZ-CYBMUJFWSA-N 2 1 234.347 0.816 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000328285204 388590742 /nfs/dbraw/zinc/59/07/42/388590742.db2.gz QECSBXAEQQVHOP-QWHCGFSZSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000328285204 388590745 /nfs/dbraw/zinc/59/07/45/388590745.db2.gz QECSBXAEQQVHOP-QWHCGFSZSA-N 2 1 224.348 0.956 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000565775737 388968373 /nfs/dbraw/zinc/96/83/73/388968373.db2.gz VZXSIWCLKXDKBQ-RYUDHWBXSA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH3+])C2)C1=O ZINC000565775737 388968375 /nfs/dbraw/zinc/96/83/75/388968375.db2.gz VZXSIWCLKXDKBQ-RYUDHWBXSA-N 2 1 237.347 0.444 20 30 BCEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000264067171 533511264 /nfs/dbraw/zinc/51/12/64/533511264.db2.gz BRYWXEUAQZYYHT-JTQLQIEISA-N 2 1 210.325 0.419 20 30 BCEDMP CC[N@@H+](CC[NH+]=C(N(C)C)N(C)C)C1CC1 ZINC000104191627 134159141 /nfs/dbraw/zinc/15/91/41/134159141.db2.gz VKPTVSQESWKERM-UHFFFAOYSA-N 2 1 226.368 0.950 20 30 BCEDMP C=CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363179818 134215231 /nfs/dbraw/zinc/21/52/31/134215231.db2.gz RHIRGBVZJSBJES-ZDUSSCGKSA-N 2 1 223.364 0.884 20 30 BCEDMP C=CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363179818 134215232 /nfs/dbraw/zinc/21/52/32/134215232.db2.gz RHIRGBVZJSBJES-ZDUSSCGKSA-N 2 1 223.364 0.884 20 30 BCEDMP C=CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363179817 134215304 /nfs/dbraw/zinc/21/53/04/134215304.db2.gz RHIRGBVZJSBJES-CYBMUJFWSA-N 2 1 223.364 0.884 20 30 BCEDMP C=CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363179817 134215305 /nfs/dbraw/zinc/21/53/05/134215305.db2.gz RHIRGBVZJSBJES-CYBMUJFWSA-N 2 1 223.364 0.884 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553691 134248241 /nfs/dbraw/zinc/24/82/41/134248241.db2.gz ZPLFQSPKIJEJQM-QWRGUYRKSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217553691 134248242 /nfs/dbraw/zinc/24/82/42/134248242.db2.gz ZPLFQSPKIJEJQM-QWRGUYRKSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261898247 135112565 /nfs/dbraw/zinc/11/25/65/135112565.db2.gz VKQKSNACKMBHIW-JTQLQIEISA-N 2 1 222.336 0.561 20 30 BCEDMP C=CCNC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC ZINC000264322377 135137979 /nfs/dbraw/zinc/13/79/79/135137979.db2.gz XYNTZECCKQLUKX-JTQLQIEISA-N 2 1 212.341 0.807 20 30 BCEDMP Cc1[nH+]ccn1CCNC(=[NH2+])NC(C)(C)C ZINC000261568360 135210050 /nfs/dbraw/zinc/21/00/50/135210050.db2.gz FKUCDRRALQVSBJ-UHFFFAOYSA-N 2 1 223.324 0.894 20 30 BCEDMP CN1CC[NH+]=C1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261571722 135213862 /nfs/dbraw/zinc/21/38/62/135213862.db2.gz HTVGFQKWIRHEAT-JTQLQIEISA-N 2 1 222.336 0.362 20 30 BCEDMP C[NH+]=C(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)N(C)C ZINC000261945099 135264740 /nfs/dbraw/zinc/26/47/40/135264740.db2.gz FPISRDULRZCRHX-MWLCHTKSSA-N 2 1 224.352 0.606 20 30 BCEDMP C[C@H](C[NH+]=C(N(C)C)N(C)C)[N@@H+](C)C1CC1 ZINC000262009589 135272222 /nfs/dbraw/zinc/27/22/22/135272222.db2.gz SWEBHCPRXQOXQD-SNVBAGLBSA-N 2 1 226.368 0.948 20 30 BCEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000262025973 135273671 /nfs/dbraw/zinc/27/36/71/135273671.db2.gz ZJVDNGLNNSNJDS-JTQLQIEISA-N 2 1 233.319 0.760 20 30 BCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCCC1 ZINC000262193342 135285246 /nfs/dbraw/zinc/28/52/46/135285246.db2.gz ZARBEZJWRGZJGI-NSHDSACASA-N 2 1 224.352 0.609 20 30 BCEDMP CC[C@@H](C)NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000262466567 135301210 /nfs/dbraw/zinc/30/12/10/135301210.db2.gz YDCJPEYMFNUILS-ZJUUUORDSA-N 2 1 235.335 0.901 20 30 BCEDMP CN(C)C(=[NH+]CC[N@H+]1CC=CCC1)N(C)C ZINC000262502208 135303371 /nfs/dbraw/zinc/30/33/71/135303371.db2.gz YSSAUAMJOBYKTE-UHFFFAOYSA-N 2 1 224.352 0.728 20 30 BCEDMP CN(C)C(=[NH+]CC[N@@H+]1CC=CCC1)N(C)C ZINC000262502208 135303372 /nfs/dbraw/zinc/30/33/72/135303372.db2.gz YSSAUAMJOBYKTE-UHFFFAOYSA-N 2 1 224.352 0.728 20 30 BCEDMP CC1(C)CCC[N@H+]1CCNC(=[NH2+])N1CCC1 ZINC000263128665 135334845 /nfs/dbraw/zinc/33/48/45/135334845.db2.gz MTUIDRLIKHAFFC-UHFFFAOYSA-N 2 1 224.352 0.881 20 30 BCEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)NC1CCC1 ZINC000263137928 135335105 /nfs/dbraw/zinc/33/51/05/135335105.db2.gz NWSNOIHYACSSTL-UHFFFAOYSA-N 2 1 222.336 0.705 20 30 BCEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)NC1CCC1 ZINC000263137928 135335106 /nfs/dbraw/zinc/33/51/06/135335106.db2.gz NWSNOIHYACSSTL-UHFFFAOYSA-N 2 1 222.336 0.705 20 30 BCEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)N1CCC1 ZINC000263143423 135335789 /nfs/dbraw/zinc/33/57/89/135335789.db2.gz OMWNORNIMXSIJP-UHFFFAOYSA-N 2 1 208.309 0.269 20 30 BCEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)N1CCC1 ZINC000263143423 135335791 /nfs/dbraw/zinc/33/57/91/135335791.db2.gz OMWNORNIMXSIJP-UHFFFAOYSA-N 2 1 208.309 0.269 20 30 BCEDMP C=CCNC(NC[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000263249447 135343027 /nfs/dbraw/zinc/34/30/27/135343027.db2.gz ODYPMZLGSNWMHO-NSHDSACASA-N 2 1 236.363 0.822 20 30 BCEDMP C=C(C)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684842 398035323 /nfs/dbraw/zinc/03/53/23/398035323.db2.gz DKPGZNCOWBEQHI-UHFFFAOYSA-N 2 1 239.363 0.658 20 30 BCEDMP C=C(C)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684842 398035328 /nfs/dbraw/zinc/03/53/28/398035328.db2.gz DKPGZNCOWBEQHI-UHFFFAOYSA-N 2 1 239.363 0.658 20 30 BCEDMP C#CC[N@H+](C)CCCNC(NC1CC1)=[NH+]C ZINC000491787104 398068821 /nfs/dbraw/zinc/06/88/21/398068821.db2.gz VAKKZELFPYLUSO-UHFFFAOYSA-N 2 1 222.336 0.269 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000491674945 398058625 /nfs/dbraw/zinc/05/86/25/398058625.db2.gz STSJQYNQWMGPBW-RYUDHWBXSA-N 2 1 237.347 0.198 20 30 BCEDMP C=CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082653973 166354459 /nfs/dbraw/zinc/35/44/59/166354459.db2.gz WMBQEAIRLRBOOO-GFCCVEGCSA-N 2 1 237.347 0.316 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000069721231 166364880 /nfs/dbraw/zinc/36/48/80/166364880.db2.gz OCZULTULOVMLJM-NSHDSACASA-N 2 1 225.336 0.492 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000069721231 166364882 /nfs/dbraw/zinc/36/48/82/166364882.db2.gz OCZULTULOVMLJM-NSHDSACASA-N 2 1 225.336 0.492 20 30 BCEDMP C=CCCC[N@H+](C)C[C@](C)(O)C[NH2+]C ZINC000652338090 411204969 /nfs/dbraw/zinc/20/49/69/411204969.db2.gz AJONZYLQTHRFJC-LLVKDONJSA-N 2 1 200.326 0.855 20 30 BCEDMP C=CC[C@]1(C(=O)NCC(F)(F)C[NH3+])CCC[NH2+]1 ZINC000662767075 412296291 /nfs/dbraw/zinc/29/62/91/412296291.db2.gz RKOVENCWRVGZTP-SNVBAGLBSA-N 2 1 247.289 0.395 20 30 BCEDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000358166861 173165886 /nfs/dbraw/zinc/16/58/86/173165886.db2.gz PKPIBNZYSSHUTF-AWEZNQCLSA-N 2 1 245.326 0.714 20 30 BCEDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000358166861 173165888 /nfs/dbraw/zinc/16/58/88/173165888.db2.gz PKPIBNZYSSHUTF-AWEZNQCLSA-N 2 1 245.326 0.714 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397487044 323020354 /nfs/dbraw/zinc/02/03/54/323020354.db2.gz VWWWXCXTQYAWKU-WOPDTQHZSA-N 2 1 239.363 0.594 20 30 BCEDMP C=CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397487044 323020355 /nfs/dbraw/zinc/02/03/55/323020355.db2.gz VWWWXCXTQYAWKU-WOPDTQHZSA-N 2 1 239.363 0.594 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NC(C)C ZINC000328320616 323195743 /nfs/dbraw/zinc/19/57/43/323195743.db2.gz YZLOMBFEJNHKAL-UHFFFAOYSA-N 2 1 210.325 0.464 20 30 BCEDMP CC(C)(C)NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000262485183 534663218 /nfs/dbraw/zinc/66/32/18/534663218.db2.gz UBLPYKCNYXQSCP-VIFPVBQESA-N 2 1 235.335 0.901 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000267461453 534842783 /nfs/dbraw/zinc/84/27/83/534842783.db2.gz VGOUBTACPBITPP-NSHDSACASA-N 2 1 240.351 0.045 20 30 BCEDMP C=CC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000335397086 534854921 /nfs/dbraw/zinc/85/49/21/534854921.db2.gz UUVACXPWTAYSQX-NSHDSACASA-N 2 1 210.321 0.860 20 30 BCEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(N)=[NH2+])C1 ZINC000305233025 527970386 /nfs/dbraw/zinc/97/03/86/527970386.db2.gz ZGWBOVUSFLTBBD-JTQLQIEISA-N 2 1 212.341 0.628 20 30 BCEDMP CC[N@H+]1CCCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262644511 535501966 /nfs/dbraw/zinc/50/19/66/535501966.db2.gz IRGQKWLTKCZUEQ-QWRGUYRKSA-N 2 1 224.352 0.798 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000261993097 535549888 /nfs/dbraw/zinc/54/98/88/535549888.db2.gz MXHSKQOVQANACJ-MXWKQRLJSA-N 2 1 224.352 0.783 20 30 BCEDMP C=C(C)CNC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000104192995 583163300 /nfs/dbraw/zinc/16/33/00/583163300.db2.gz BPJJOHBYQIKMIO-JTQLQIEISA-N 2 1 224.352 0.950 20 30 BCEDMP CNC(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)=[NH+]C ZINC000853012596 588715362 /nfs/dbraw/zinc/71/53/62/588715362.db2.gz BOZZXEYXWZDLEX-LBPRGKRZSA-N 2 1 238.379 0.903 20 30 BCEDMP CNC(NC[C@H]1CCC[N@@H+](CC2CC2)C1)=[NH+]C ZINC000853012595 588715531 /nfs/dbraw/zinc/71/55/31/588715531.db2.gz BOZZXEYXWZDLEX-GFCCVEGCSA-N 2 1 238.379 0.903 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000899935596 584257669 /nfs/dbraw/zinc/25/76/69/584257669.db2.gz PHYUJSVMIOUBPP-UHFFFAOYSA-N 2 1 239.363 0.658 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903809830 584803732 /nfs/dbraw/zinc/80/37/32/584803732.db2.gz MYIZNLOISREEID-GFCCVEGCSA-N 2 1 242.363 0.753 20 30 BCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000732061998 584933589 /nfs/dbraw/zinc/93/35/89/584933589.db2.gz NKXKASBGMXZIAE-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000732061998 584933590 /nfs/dbraw/zinc/93/35/90/584933590.db2.gz NKXKASBGMXZIAE-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000732061998 584933591 /nfs/dbraw/zinc/93/35/91/584933591.db2.gz NKXKASBGMXZIAE-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C)C1 ZINC000732061998 584933592 /nfs/dbraw/zinc/93/35/92/584933592.db2.gz NKXKASBGMXZIAE-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP CC[N@@H+]1CCC(=NN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000741451427 585114216 /nfs/dbraw/zinc/11/42/16/585114216.db2.gz OSAQCDWQPLXWCA-LBPRGKRZSA-N 2 1 238.379 0.952 20 30 BCEDMP CC[N@H+]1CCC(=NN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000741451427 585114217 /nfs/dbraw/zinc/11/42/17/585114217.db2.gz OSAQCDWQPLXWCA-LBPRGKRZSA-N 2 1 238.379 0.952 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000748405046 585192450 /nfs/dbraw/zinc/19/24/50/585192450.db2.gz CCCBVXKWYSPYTP-LBPRGKRZSA-N 2 1 237.347 0.104 20 30 BCEDMP CN1CCN(N=C2CC[N@H+]3CCC[C@H]23)CC1 ZINC000765545027 585489508 /nfs/dbraw/zinc/48/95/08/585489508.db2.gz ZBWYDOBOLAGNFH-GFCCVEGCSA-N 2 1 222.336 0.458 20 30 BCEDMP CN1CCN(N=C2CCN3CCC[C@H]23)CC1 ZINC000765545027 585489509 /nfs/dbraw/zinc/48/95/09/585489509.db2.gz ZBWYDOBOLAGNFH-GFCCVEGCSA-N 2 1 222.336 0.458 20 30 BCEDMP C[C@H]1CNC(NN=C2CCC[N@@H+](C)CC2)=[NH+]1 ZINC000779792019 585763448 /nfs/dbraw/zinc/76/34/48/585763448.db2.gz HOYYKEGQSJHFCI-VIFPVBQESA-N 2 1 223.324 0.395 20 30 BCEDMP C[C@@H]1CNC(NN=C2C[C@H](C)[N@@H+](C3CC3)C2)=[NH+]1 ZINC000779799559 585764775 /nfs/dbraw/zinc/76/47/75/585764775.db2.gz VKOBZGRGHZDPDO-BDAKNGLRSA-N 2 1 235.335 0.536 20 30 BCEDMP C[C@@H]1CNC(NN=C2C[C@H](C)[N@H+](C3CC3)C2)=[NH+]1 ZINC000779799559 585764776 /nfs/dbraw/zinc/76/47/76/585764776.db2.gz VKOBZGRGHZDPDO-BDAKNGLRSA-N 2 1 235.335 0.536 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000816950401 586773583 /nfs/dbraw/zinc/77/35/83/586773583.db2.gz RHGICVHKELZZJK-RYUDHWBXSA-N 2 1 237.347 0.267 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000818621212 586908121 /nfs/dbraw/zinc/90/81/21/586908121.db2.gz NUUIUVGRDBJVRF-TXEJJXNPSA-N 2 1 239.363 0.655 20 30 BCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000819022369 586924421 /nfs/dbraw/zinc/92/44/21/586924421.db2.gz KSMLQXBENFKYKX-ZDUSSCGKSA-N 2 1 224.348 0.997 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000826722799 587360052 /nfs/dbraw/zinc/36/00/52/587360052.db2.gz XHODPQFQWIJTPN-LLVKDONJSA-N 2 1 239.363 0.562 20 30 BCEDMP C#CCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000844337382 588185541 /nfs/dbraw/zinc/18/55/41/588185541.db2.gz DUSWXKFTYADWFE-UHFFFAOYSA-N 2 1 236.359 0.836 20 30 BCEDMP C#C[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000847019391 588302251 /nfs/dbraw/zinc/30/22/51/588302251.db2.gz PRQWIKLPXVHIIC-QWHCGFSZSA-N 2 1 224.348 0.644 20 30 BCEDMP C#C[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000847019391 588302252 /nfs/dbraw/zinc/30/22/52/588302252.db2.gz PRQWIKLPXVHIIC-QWHCGFSZSA-N 2 1 224.348 0.644 20 30 BCEDMP C#C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000847019391 588302253 /nfs/dbraw/zinc/30/22/53/588302253.db2.gz PRQWIKLPXVHIIC-QWHCGFSZSA-N 2 1 224.348 0.644 20 30 BCEDMP C#C[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000847019391 588302254 /nfs/dbraw/zinc/30/22/54/588302254.db2.gz PRQWIKLPXVHIIC-QWHCGFSZSA-N 2 1 224.348 0.644 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000848032928 588348768 /nfs/dbraw/zinc/34/87/68/588348768.db2.gz GFRYSDJVONDHHX-UHFFFAOYSA-N 2 1 239.363 0.657 20 30 BCEDMP NC(=[NH2+])N=NC1CCC[N@H+]2CCCC[C@@H]12 ZINC000848405033 588377961 /nfs/dbraw/zinc/37/79/61/588377961.db2.gz XEQTZMASKNURHO-VIFPVBQESA-N 2 1 209.297 0.474 20 30 BCEDMP CCCC[N@@H+](C)CCNC1=[NH+]C[C@H](C)N1 ZINC000849005375 588432028 /nfs/dbraw/zinc/43/20/28/588432028.db2.gz AZSUKRCXJSATCU-JTQLQIEISA-N 2 1 212.341 0.656 20 30 BCEDMP CNC(NC[C@H]1CCCC[N@H+]1C1CC1)=[NH+]C ZINC000849023215 588439532 /nfs/dbraw/zinc/43/95/32/588439532.db2.gz YXFSRQAFUBSEDW-LLVKDONJSA-N 2 1 224.352 0.798 20 30 BCEDMP C[C@@H]1C[NH+]=C(NCC[N@H+]2CCCC2(C)C)N1 ZINC000849039057 588446718 /nfs/dbraw/zinc/44/67/18/588446718.db2.gz GHNVEQQGVUPYPC-SNVBAGLBSA-N 2 1 224.352 0.798 20 30 BCEDMP CNC(NCCCC[N@H+]1CCC[C@@H]1CO)=[NH+]C ZINC000849214587 588462009 /nfs/dbraw/zinc/46/20/09/588462009.db2.gz SUCJXGIWFZFCNX-LLVKDONJSA-N 2 1 242.367 0.018 20 30 BCEDMP C#CCOCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000852078247 588660194 /nfs/dbraw/zinc/66/01/94/588660194.db2.gz OCCRNPGTJGSBKS-ZDUSSCGKSA-N 2 1 222.332 0.664 20 30 BCEDMP C#CCOCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000852078247 588660195 /nfs/dbraw/zinc/66/01/95/588660195.db2.gz OCCRNPGTJGSBKS-ZDUSSCGKSA-N 2 1 222.332 0.664 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000852078247 588660196 /nfs/dbraw/zinc/66/01/96/588660196.db2.gz OCCRNPGTJGSBKS-ZDUSSCGKSA-N 2 1 222.332 0.664 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863557132 589299010 /nfs/dbraw/zinc/29/90/10/589299010.db2.gz JQKRYSZEHZHPGC-CYBMUJFWSA-N 2 1 249.358 0.586 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863557132 589299012 /nfs/dbraw/zinc/29/90/12/589299012.db2.gz JQKRYSZEHZHPGC-CYBMUJFWSA-N 2 1 249.358 0.586 20 30 BCEDMP CNC(NC[C@@H]1CC[N@H+]1C1CCCC1)=[NH+]C ZINC000864356927 589354978 /nfs/dbraw/zinc/35/49/78/589354978.db2.gz QYBDSMQYWJJIRO-NSHDSACASA-N 2 1 224.352 0.798 20 30 BCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CC1 ZINC000876736020 590234041 /nfs/dbraw/zinc/23/40/41/590234041.db2.gz INSUECGQZXZPIV-JTQLQIEISA-N 2 1 245.754 0.667 20 30 BCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000876733460 590234651 /nfs/dbraw/zinc/23/46/51/590234651.db2.gz YIASFFHFKNLRNZ-ZJUUUORDSA-N 2 1 245.754 0.667 20 30 BCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000876809295 590245356 /nfs/dbraw/zinc/24/53/56/590245356.db2.gz RVOMHAPNSLSCTE-LURJTMIESA-N 2 1 241.669 0.167 20 30 BCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cnc[nH]1 ZINC000876882783 590252934 /nfs/dbraw/zinc/25/29/34/590252934.db2.gz ROZRRXREFWQWDK-MRVPVSSYSA-N 2 1 228.683 0.496 20 30 BCEDMP C=CC[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000877957572 590457723 /nfs/dbraw/zinc/45/77/23/590457723.db2.gz BCUYPNFUJSZMPV-LBPRGKRZSA-N 2 1 239.363 0.657 20 30 BCEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCOCCC#N)CC[C@@H]21 ZINC000879578422 590814141 /nfs/dbraw/zinc/81/41/41/590814141.db2.gz DWEOYHLQBUMKCT-OLZOCXBDSA-N 2 1 237.347 0.943 20 30 BCEDMP C[N@H+]1CC[C@@H]2C[NH+](CCOCCC#N)CC[C@@H]21 ZINC000879578422 590814145 /nfs/dbraw/zinc/81/41/45/590814145.db2.gz DWEOYHLQBUMKCT-OLZOCXBDSA-N 2 1 237.347 0.943 20 30 BCEDMP C[NH+]1CC[C@@H]2C[N@H+](CCOCCC#N)CC[C@@H]21 ZINC000879578422 590814147 /nfs/dbraw/zinc/81/41/47/590814147.db2.gz DWEOYHLQBUMKCT-OLZOCXBDSA-N 2 1 237.347 0.943 20 30 BCEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCOCCC#N)CC[C@@H]21 ZINC000879578422 590814150 /nfs/dbraw/zinc/81/41/50/590814150.db2.gz DWEOYHLQBUMKCT-OLZOCXBDSA-N 2 1 237.347 0.943 20 30 BCEDMP C[N@@H+]1CC[C@H]2C[NH+](CCOCCC#N)CC[C@@H]21 ZINC000879578424 590814939 /nfs/dbraw/zinc/81/49/39/590814939.db2.gz DWEOYHLQBUMKCT-STQMWFEESA-N 2 1 237.347 0.943 20 30 BCEDMP C[N@H+]1CC[C@H]2C[NH+](CCOCCC#N)CC[C@@H]21 ZINC000879578424 590814944 /nfs/dbraw/zinc/81/49/44/590814944.db2.gz DWEOYHLQBUMKCT-STQMWFEESA-N 2 1 237.347 0.943 20 30 BCEDMP C[NH+]1CC[C@H]2C[N@H+](CCOCCC#N)CC[C@@H]21 ZINC000879578424 590814947 /nfs/dbraw/zinc/81/49/47/590814947.db2.gz DWEOYHLQBUMKCT-STQMWFEESA-N 2 1 237.347 0.943 20 30 BCEDMP C[NH+]1CC[C@H]2C[N@@H+](CCOCCC#N)CC[C@@H]21 ZINC000879578424 590814952 /nfs/dbraw/zinc/81/49/52/590814952.db2.gz DWEOYHLQBUMKCT-STQMWFEESA-N 2 1 237.347 0.943 20 30 BCEDMP N#CC1(C[C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000885960571 592115855 /nfs/dbraw/zinc/11/58/55/592115855.db2.gz NDZIRYNKMVCKJQ-FRRDWIJNSA-N 2 1 249.358 0.582 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NCC(F)F ZINC000887360312 592490220 /nfs/dbraw/zinc/49/02/20/592490220.db2.gz CSSNHZJYBSLVPK-UHFFFAOYSA-N 2 1 232.278 0.321 20 30 BCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001022436522 631556084 /nfs/dbraw/zinc/55/60/84/631556084.db2.gz LNTWNDOVQRHVAW-TXEJJXNPSA-N 2 1 248.330 0.614 20 30 BCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001028447190 635675279 /nfs/dbraw/zinc/67/52/79/635675279.db2.gz NLWKSMIHOSNHAD-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447190 635675285 /nfs/dbraw/zinc/67/52/85/635675285.db2.gz NLWKSMIHOSNHAD-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028447190 635675289 /nfs/dbraw/zinc/67/52/89/635675289.db2.gz NLWKSMIHOSNHAD-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP CNC(NCC[C@H]1CCC[N@@H+](C)C1)=[NH+]C ZINC000849041152 632035546 /nfs/dbraw/zinc/03/55/46/632035546.db2.gz LVGWPDRKNMELSO-SNVBAGLBSA-N 2 1 212.341 0.513 20 30 BCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023084319 632125863 /nfs/dbraw/zinc/12/58/63/632125863.db2.gz NGTPTWDPXLOCGJ-UTUOFQBUSA-N 2 1 237.347 0.361 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001023090971 632127472 /nfs/dbraw/zinc/12/74/72/632127472.db2.gz CNAYWHGIPWQZSP-TXEJJXNPSA-N 2 1 246.314 0.062 20 30 BCEDMP C[C@@H](C#N)OCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000310470335 632746046 /nfs/dbraw/zinc/74/60/46/632746046.db2.gz BFESOJXLANHNJE-STQMWFEESA-N 2 1 237.347 0.943 20 30 BCEDMP C[C@@H](C#N)OCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000310470335 632746049 /nfs/dbraw/zinc/74/60/49/632746049.db2.gz BFESOJXLANHNJE-STQMWFEESA-N 2 1 237.347 0.943 20 30 BCEDMP C[C@@H](C#N)OCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000310470335 632746056 /nfs/dbraw/zinc/74/60/56/632746056.db2.gz BFESOJXLANHNJE-STQMWFEESA-N 2 1 237.347 0.943 20 30 BCEDMP C[C@@H](C#N)OCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000310470335 632746059 /nfs/dbraw/zinc/74/60/59/632746059.db2.gz BFESOJXLANHNJE-STQMWFEESA-N 2 1 237.347 0.943 20 30 BCEDMP CC[N@@H+](CCNC(=[NH2+])NC1CC1)C1CC1 ZINC000066246553 632861020 /nfs/dbraw/zinc/86/10/20/632861020.db2.gz LGERJQBRACAGNL-UHFFFAOYSA-N 2 1 210.325 0.537 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928427607 635905414 /nfs/dbraw/zinc/90/54/14/635905414.db2.gz KDWZSCIJTADEMA-RYUDHWBXSA-N 2 1 239.363 0.703 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCOC1 ZINC000327982107 633199907 /nfs/dbraw/zinc/19/99/07/633199907.db2.gz JAGPIBWYQOQHIW-LBPRGKRZSA-N 2 1 210.321 0.710 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCOC1 ZINC000327982107 633199911 /nfs/dbraw/zinc/19/99/11/633199911.db2.gz JAGPIBWYQOQHIW-LBPRGKRZSA-N 2 1 210.321 0.710 20 30 BCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001020025423 633806078 /nfs/dbraw/zinc/80/60/78/633806078.db2.gz OUMKBAVIHWMBIP-IJLUTSLNSA-N 2 1 237.347 0.503 20 30 BCEDMP COCC[N@@H+](C)CCCNC(=[NH2+])N(C)C1CC1 ZINC000181464972 633917281 /nfs/dbraw/zinc/91/72/81/633917281.db2.gz IEEYQOVEQXJHFX-UHFFFAOYSA-N 2 1 242.367 0.364 20 30 BCEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000194684478 634329448 /nfs/dbraw/zinc/32/94/48/634329448.db2.gz XASJPWGERLNUKX-NXEZZACHSA-N 2 1 212.341 0.641 20 30 BCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980397266 635221180 /nfs/dbraw/zinc/22/11/80/635221180.db2.gz ONRANPUICFKAAN-CHWSQXEVSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980397266 635221184 /nfs/dbraw/zinc/22/11/84/635221184.db2.gz ONRANPUICFKAAN-CHWSQXEVSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980397266 635221188 /nfs/dbraw/zinc/22/11/88/635221188.db2.gz ONRANPUICFKAAN-CHWSQXEVSA-N 2 1 249.358 0.104 20 30 BCEDMP C=CCNC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000085870012 636880349 /nfs/dbraw/zinc/88/03/49/636880349.db2.gz KPODFTYOPVWILB-UHFFFAOYSA-N 2 1 225.336 0.490 20 30 BCEDMP C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000905449134 637810113 /nfs/dbraw/zinc/81/01/13/637810113.db2.gz CTYIBORUTIKZLX-AAEUAGOBSA-N 2 1 242.363 0.358 20 30 BCEDMP C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000905449134 637810116 /nfs/dbraw/zinc/81/01/16/637810116.db2.gz CTYIBORUTIKZLX-AAEUAGOBSA-N 2 1 242.363 0.358 20 30 BCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431666 640200074 /nfs/dbraw/zinc/20/00/74/640200074.db2.gz ZDETYLQNYJSVSS-FRRDWIJNSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431666 640200077 /nfs/dbraw/zinc/20/00/77/640200077.db2.gz ZDETYLQNYJSVSS-FRRDWIJNSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971204812 642324861 /nfs/dbraw/zinc/32/48/61/642324861.db2.gz OYWUHVGNRUNBIK-STQMWFEESA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000971204812 642324865 /nfs/dbraw/zinc/32/48/65/642324865.db2.gz OYWUHVGNRUNBIK-STQMWFEESA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000971204812 642324876 /nfs/dbraw/zinc/32/48/76/642324876.db2.gz OYWUHVGNRUNBIK-STQMWFEESA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015709363 642922004 /nfs/dbraw/zinc/92/20/04/642922004.db2.gz UWBOEUSUUMFDMH-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001015709363 642922011 /nfs/dbraw/zinc/92/20/11/642922011.db2.gz UWBOEUSUUMFDMH-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015709363 642922028 /nfs/dbraw/zinc/92/20/28/642922028.db2.gz UWBOEUSUUMFDMH-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015709363 642922034 /nfs/dbraw/zinc/92/20/34/642922034.db2.gz UWBOEUSUUMFDMH-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015709362 642924944 /nfs/dbraw/zinc/92/49/44/642924944.db2.gz UWBOEUSUUMFDMH-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001015709362 642924949 /nfs/dbraw/zinc/92/49/49/642924949.db2.gz UWBOEUSUUMFDMH-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015709362 642924956 /nfs/dbraw/zinc/92/49/56/642924956.db2.gz UWBOEUSUUMFDMH-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001015709362 642924960 /nfs/dbraw/zinc/92/49/60/642924960.db2.gz UWBOEUSUUMFDMH-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001019153802 643019546 /nfs/dbraw/zinc/01/95/46/643019546.db2.gz LFNSKADXQXFPPU-LBPRGKRZSA-N 2 1 246.314 0.015 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001020585292 643221143 /nfs/dbraw/zinc/22/11/43/643221143.db2.gz PQBJXZFCUSSRID-AVGNSLFASA-N 2 1 249.358 0.341 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020591175 643223166 /nfs/dbraw/zinc/22/31/66/643223166.db2.gz GMSNGWUBBBMTLZ-LPWJVIDDSA-N 2 1 249.358 0.054 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923291798 644328798 /nfs/dbraw/zinc/32/87/98/644328798.db2.gz UONHXDFCHAHXDA-GRYCIOLGSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000923295070 644333347 /nfs/dbraw/zinc/33/33/47/644333347.db2.gz RNCZDKJYTDELSU-NEPJUHHUSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000923295070 644333349 /nfs/dbraw/zinc/33/33/49/644333349.db2.gz RNCZDKJYTDELSU-NEPJUHHUSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331769 644359911 /nfs/dbraw/zinc/35/99/11/644359911.db2.gz ICOQCNZZCFCRBG-OLZOCXBDSA-N 2 1 224.348 0.999 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923331715 644360897 /nfs/dbraw/zinc/36/08/97/644360897.db2.gz NSOPEIWRLDJERX-TUAOUCFPSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+](C)CCC[NH2+]C ZINC000923377862 644391007 /nfs/dbraw/zinc/39/10/07/644391007.db2.gz QPFPENIOLKSXHN-NSHDSACASA-N 2 1 200.326 0.855 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923518259 644482846 /nfs/dbraw/zinc/48/28/46/644482846.db2.gz BWCZXLLBFHOFAJ-YNEHKIRRSA-N 2 1 249.358 0.315 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521003 644483579 /nfs/dbraw/zinc/48/35/79/644483579.db2.gz XLFQOXIWNSYFCS-GRYCIOLGSA-N 2 1 237.347 0.218 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521003 644483585 /nfs/dbraw/zinc/48/35/85/644483585.db2.gz XLFQOXIWNSYFCS-GRYCIOLGSA-N 2 1 237.347 0.218 20 30 BCEDMP C#CCN1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000923552010 644493615 /nfs/dbraw/zinc/49/36/15/644493615.db2.gz RYYCHUKDWVHBSJ-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000923552010 644493622 /nfs/dbraw/zinc/49/36/22/644493622.db2.gz RYYCHUKDWVHBSJ-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000923556929 644501062 /nfs/dbraw/zinc/50/10/62/644501062.db2.gz ZZYRXHZXPMJFBT-NWDGAFQWSA-N 2 1 237.347 0.150 20 30 BCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000923556929 644501068 /nfs/dbraw/zinc/50/10/68/644501068.db2.gz ZZYRXHZXPMJFBT-NWDGAFQWSA-N 2 1 237.347 0.150 20 30 BCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=C)C[NH+](C)C)C1 ZINC000923563994 644504129 /nfs/dbraw/zinc/50/41/29/644504129.db2.gz MODAZYJFYGDQQX-CYBMUJFWSA-N 2 1 249.358 0.318 20 30 BCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=C)C[NH+](C)C)C1 ZINC000923563994 644504134 /nfs/dbraw/zinc/50/41/34/644504134.db2.gz MODAZYJFYGDQQX-CYBMUJFWSA-N 2 1 249.358 0.318 20 30 BCEDMP CC(C)[N@H+]1CC(=NNC2=[NH+][C@@H](C)CN2)[C@H](C)C1 ZINC000779797739 644715075 /nfs/dbraw/zinc/71/50/75/644715075.db2.gz IQZVYJQCSPGTTE-ZJUUUORDSA-N 2 1 237.351 0.640 20 30 BCEDMP CC(C)[N@@H+]1CC(=NNC2=[NH+][C@@H](C)CN2)[C@H](C)C1 ZINC000779797739 644715082 /nfs/dbraw/zinc/71/50/82/644715082.db2.gz IQZVYJQCSPGTTE-ZJUUUORDSA-N 2 1 237.351 0.640 20 30 BCEDMP CNC(NC[C@@H](Cc1ccccc1)[NH+](C)C)=[NH+]C ZINC000303265125 644813118 /nfs/dbraw/zinc/81/31/18/644813118.db2.gz UECDBSWLGNPLAH-CYBMUJFWSA-N 2 1 248.374 0.954 20 30 BCEDMP CNC(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)=[NH+]C ZINC000303262737 644813229 /nfs/dbraw/zinc/81/32/29/644813229.db2.gz QFHLMAMHJFIGEF-LLVKDONJSA-N 2 1 242.367 0.138 20 30 BCEDMP CC[C@H](C)[N@@H+](C)CCNC(NC)=[NH+]C ZINC000303413616 644822003 /nfs/dbraw/zinc/82/20/03/644822003.db2.gz ZHHGEMMOQKJDTH-VIFPVBQESA-N 2 1 200.330 0.512 20 30 BCEDMP CCNC(=[NH2+])NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303791994 644848351 /nfs/dbraw/zinc/84/83/51/644848351.db2.gz YBOFBKFSUQNNGA-LLVKDONJSA-N 2 1 242.367 0.267 20 30 BCEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303883850 644853910 /nfs/dbraw/zinc/85/39/10/644853910.db2.gz IUQZQAWQQNHIEM-NSHDSACASA-N 2 1 224.352 0.739 20 30 BCEDMP CCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000304742294 644929091 /nfs/dbraw/zinc/92/90/91/644929091.db2.gz CPKRDGUGCARLCH-NSHDSACASA-N 2 1 242.367 0.269 20 30 BCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000304754203 644931661 /nfs/dbraw/zinc/93/16/61/644931661.db2.gz LSQYWGUYZJLRRX-MNOVXSKESA-N 2 1 242.367 0.267 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188120 644943516 /nfs/dbraw/zinc/94/35/16/644943516.db2.gz JPOWAACFWGUEQC-GHMZBOCLSA-N 2 1 225.336 0.205 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188120 644943521 /nfs/dbraw/zinc/94/35/21/644943521.db2.gz JPOWAACFWGUEQC-GHMZBOCLSA-N 2 1 225.336 0.205 20 30 BCEDMP C=CCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878490587 645814956 /nfs/dbraw/zinc/81/49/56/645814956.db2.gz OPEOVQLTJCOQAU-UHFFFAOYSA-N 2 1 239.363 0.705 20 30 BCEDMP C=C(C)C[C@H](CO)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925772081 646473052 /nfs/dbraw/zinc/47/30/52/646473052.db2.gz PYQBGENJUODRJO-VPCRRHSYSA-N 2 1 236.359 0.900 20 30 BCEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039027160 710717456 /nfs/dbraw/zinc/71/74/56/710717456.db2.gz JDAKWVLZPMYRPT-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039027160 710717457 /nfs/dbraw/zinc/71/74/57/710717457.db2.gz JDAKWVLZPMYRPT-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039027160 710717460 /nfs/dbraw/zinc/71/74/60/710717460.db2.gz JDAKWVLZPMYRPT-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039027160 710717463 /nfs/dbraw/zinc/71/74/63/710717463.db2.gz JDAKWVLZPMYRPT-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039026822 710718440 /nfs/dbraw/zinc/71/84/40/710718440.db2.gz IJHYREIYSHCNQL-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039026822 710718442 /nfs/dbraw/zinc/71/84/42/710718442.db2.gz IJHYREIYSHCNQL-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039026822 710718444 /nfs/dbraw/zinc/71/84/44/710718444.db2.gz IJHYREIYSHCNQL-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001074561548 711443736 /nfs/dbraw/zinc/44/37/36/711443736.db2.gz DJIZUAYTSOBQFH-RWMBFGLXSA-N 2 1 249.358 0.293 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033707743 712014544 /nfs/dbraw/zinc/01/45/44/712014544.db2.gz SFISALYTCVLTMH-GFCCVEGCSA-N 2 1 246.314 0.049 20 30 BCEDMP C#CCN1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033707743 712014546 /nfs/dbraw/zinc/01/45/46/712014546.db2.gz SFISALYTCVLTMH-GFCCVEGCSA-N 2 1 246.314 0.049 20 30 BCEDMP C=CC[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000714997027 712503442 /nfs/dbraw/zinc/50/34/42/712503442.db2.gz XRRRYDGMVCDGFV-OLZOCXBDSA-N 2 1 223.364 0.931 20 30 BCEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000717840516 712691319 /nfs/dbraw/zinc/69/13/19/712691319.db2.gz IALSKDMUIUYDHR-UPJWGTAASA-N 2 1 222.332 0.587 20 30 BCEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000576289444 365553666 /nfs/dbraw/zinc/55/36/66/365553666.db2.gz DRECFKWBWXSOOU-XQQFMLRXSA-N 2 1 242.363 0.622 20 30 BCEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000576289444 365553670 /nfs/dbraw/zinc/55/36/70/365553670.db2.gz DRECFKWBWXSOOU-XQQFMLRXSA-N 2 1 242.363 0.622 20 30 BCEDMP C[C@@H](CCC#N)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000602612258 349636328 /nfs/dbraw/zinc/63/63/28/349636328.db2.gz ORBFNLMSSNVRLH-RYUDHWBXSA-N 2 1 225.336 0.582 20 30 BCEDMP C[C@@H](CCC#N)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000602612258 349636331 /nfs/dbraw/zinc/63/63/31/349636331.db2.gz ORBFNLMSSNVRLH-RYUDHWBXSA-N 2 1 225.336 0.582 20 30 BCEDMP C=CCCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000379989611 365786107 /nfs/dbraw/zinc/78/61/07/365786107.db2.gz WWDRCMJXXXGLGV-LBPRGKRZSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000379989611 365786111 /nfs/dbraw/zinc/78/61/11/365786111.db2.gz WWDRCMJXXXGLGV-LBPRGKRZSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCNC(=[NH2+])NCC[N@H+](CC)C1CC1 ZINC000066246549 343857898 /nfs/dbraw/zinc/85/78/98/343857898.db2.gz GBHQEQAGOHUBMO-UHFFFAOYSA-N 2 1 210.325 0.561 20 30 BCEDMP N#CCC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000600735161 344365158 /nfs/dbraw/zinc/36/51/58/344365158.db2.gz KEVMNJVCJUGMID-GFCCVEGCSA-N 2 1 237.347 0.727 20 30 BCEDMP N#CCCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000600737306 344365532 /nfs/dbraw/zinc/36/55/32/344365532.db2.gz VSSHVZOHHZLGIL-NSHDSACASA-N 2 1 211.309 0.336 20 30 BCEDMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600722642 344363137 /nfs/dbraw/zinc/36/31/37/344363137.db2.gz JXACUUXNKZSDIP-GFCCVEGCSA-N 2 1 248.330 0.836 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NCCC ZINC000382005677 347052010 /nfs/dbraw/zinc/05/20/10/347052010.db2.gz KWHJTZWOKGSZMK-UHFFFAOYSA-N 2 1 210.325 0.465 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227069301 345246409 /nfs/dbraw/zinc/24/64/09/345246409.db2.gz KXLFIZWVBNYRGT-GARJFASQSA-N 2 1 225.336 0.346 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227069301 345246412 /nfs/dbraw/zinc/24/64/12/345246412.db2.gz KXLFIZWVBNYRGT-GARJFASQSA-N 2 1 225.336 0.346 20 30 BCEDMP CC(C)CNC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000271797619 345806393 /nfs/dbraw/zinc/80/63/93/345806393.db2.gz KPIQQGIOCVJNPT-UHFFFAOYSA-N 2 1 224.352 0.809 20 30 BCEDMP C#C[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000187047238 347248244 /nfs/dbraw/zinc/24/82/44/347248244.db2.gz IDZXVIBLFATDAW-QWRGUYRKSA-N 2 1 222.336 0.397 20 30 BCEDMP C[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000592047391 347724437 /nfs/dbraw/zinc/72/44/37/347724437.db2.gz KZASWERCKAZXNC-GHMZBOCLSA-N 2 1 238.335 0.218 20 30 BCEDMP C[N@H+]1CCC[C@@H]1CCN1CC[C@@](O)(CC#N)C1 ZINC000592150149 347740427 /nfs/dbraw/zinc/74/04/27/347740427.db2.gz AFNZKWMGYCQPPO-OLZOCXBDSA-N 2 1 237.347 0.821 20 30 BCEDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](O)(CC#N)C1 ZINC000592150149 347740428 /nfs/dbraw/zinc/74/04/28/347740428.db2.gz AFNZKWMGYCQPPO-OLZOCXBDSA-N 2 1 237.347 0.821 20 30 BCEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](O)(CC#N)C1 ZINC000592150149 347740432 /nfs/dbraw/zinc/74/04/32/347740432.db2.gz AFNZKWMGYCQPPO-OLZOCXBDSA-N 2 1 237.347 0.821 20 30 BCEDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150149 347740434 /nfs/dbraw/zinc/74/04/34/347740434.db2.gz AFNZKWMGYCQPPO-OLZOCXBDSA-N 2 1 237.347 0.821 20 30 BCEDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150149 347740437 /nfs/dbraw/zinc/74/04/37/347740437.db2.gz AFNZKWMGYCQPPO-OLZOCXBDSA-N 2 1 237.347 0.821 20 30 BCEDMP COC[C@@H](C)NC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000271815977 351439191 /nfs/dbraw/zinc/43/91/91/351439191.db2.gz OCFTVYRYXMIBJM-SNVBAGLBSA-N 2 1 240.351 0.188 20 30 BCEDMP CC[C@H](C)NC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000279936040 351829801 /nfs/dbraw/zinc/82/98/01/351829801.db2.gz GOLOUDWROZPUDH-NSHDSACASA-N 2 1 224.352 0.951 20 30 BCEDMP CC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000279936040 351829803 /nfs/dbraw/zinc/82/98/03/351829803.db2.gz GOLOUDWROZPUDH-NSHDSACASA-N 2 1 224.352 0.951 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000069724272 166367001 /nfs/dbraw/zinc/36/70/01/166367001.db2.gz VGEOCPKKDGYPPP-NSHDSACASA-N 2 1 225.336 0.349 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070074595 353253194 /nfs/dbraw/zinc/25/31/94/353253194.db2.gz IKQMQAXXVAYIAR-WOPDTQHZSA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070074595 353253197 /nfs/dbraw/zinc/25/31/97/353253197.db2.gz IKQMQAXXVAYIAR-WOPDTQHZSA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070074593 353253439 /nfs/dbraw/zinc/25/34/39/353253439.db2.gz IKQMQAXXVAYIAR-GRYCIOLGSA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070074593 353253440 /nfs/dbraw/zinc/25/34/40/353253440.db2.gz IKQMQAXXVAYIAR-GRYCIOLGSA-N 2 1 239.363 0.736 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=O)CCc1c[nH]cn1 ZINC000293928503 353764386 /nfs/dbraw/zinc/76/43/86/353764386.db2.gz HQBNDJOUCKSPTQ-UHFFFAOYSA-N 2 1 248.330 0.414 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=O)CCc1cnc[nH]1 ZINC000293928503 353764389 /nfs/dbraw/zinc/76/43/89/353764389.db2.gz HQBNDJOUCKSPTQ-UHFFFAOYSA-N 2 1 248.330 0.414 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=O)CCc1cnc[nH]1 ZINC000293928503 353764392 /nfs/dbraw/zinc/76/43/92/353764392.db2.gz HQBNDJOUCKSPTQ-UHFFFAOYSA-N 2 1 248.330 0.414 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000420321466 192228496 /nfs/dbraw/zinc/22/84/96/192228496.db2.gz VHEGFPOMABMFNK-AVGNSLFASA-N 2 1 249.358 0.315 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000420321466 192228498 /nfs/dbraw/zinc/22/84/98/192228498.db2.gz VHEGFPOMABMFNK-AVGNSLFASA-N 2 1 249.358 0.315 20 30 BCEDMP C=C(C)C[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639761477 356678313 /nfs/dbraw/zinc/67/83/13/356678313.db2.gz MPXQVLWYTIMGAX-GFCCVEGCSA-N 2 1 212.337 0.951 20 30 BCEDMP C=C(C)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761477 356678318 /nfs/dbraw/zinc/67/83/18/356678318.db2.gz MPXQVLWYTIMGAX-GFCCVEGCSA-N 2 1 212.337 0.951 20 30 BCEDMP C=C(C)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761477 356678322 /nfs/dbraw/zinc/67/83/22/356678322.db2.gz MPXQVLWYTIMGAX-GFCCVEGCSA-N 2 1 212.337 0.951 20 30 BCEDMP C=C(C)C[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639761486 356678613 /nfs/dbraw/zinc/67/86/13/356678613.db2.gz MPXQVLWYTIMGAX-LBPRGKRZSA-N 2 1 212.337 0.951 20 30 BCEDMP C=C(C)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761486 356678621 /nfs/dbraw/zinc/67/86/21/356678621.db2.gz MPXQVLWYTIMGAX-LBPRGKRZSA-N 2 1 212.337 0.951 20 30 BCEDMP C=C(C)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761486 356678626 /nfs/dbraw/zinc/67/86/26/356678626.db2.gz MPXQVLWYTIMGAX-LBPRGKRZSA-N 2 1 212.337 0.951 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362075063 356941835 /nfs/dbraw/zinc/94/18/35/356941835.db2.gz CGPKROBTJWRGMI-KBPBESRZSA-N 2 1 235.375 0.577 20 30 BCEDMP C#CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362075063 356941837 /nfs/dbraw/zinc/94/18/37/356941837.db2.gz CGPKROBTJWRGMI-KBPBESRZSA-N 2 1 235.375 0.577 20 30 BCEDMP C[N@H+](C[C@H](O)C[NH2+]CCCC#N)C1CC1 ZINC000582602271 357348550 /nfs/dbraw/zinc/34/85/50/357348550.db2.gz UQDZHTYLOMZIBV-LLVKDONJSA-N 2 1 211.309 0.335 20 30 BCEDMP C[N@@H+](C[C@H](O)C[NH2+]CCCC#N)C1CC1 ZINC000582602271 357348553 /nfs/dbraw/zinc/34/85/53/357348553.db2.gz UQDZHTYLOMZIBV-LLVKDONJSA-N 2 1 211.309 0.335 20 30 BCEDMP CCN(CC)C(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262442346 535390778 /nfs/dbraw/zinc/39/07/78/535390778.db2.gz BCYSBVGNSWFFNU-SNVBAGLBSA-N 2 1 235.335 0.854 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000134402855 358789646 /nfs/dbraw/zinc/78/96/46/358789646.db2.gz JGXOMBFZHHUTFC-MNOVXSKESA-N 2 1 225.336 0.218 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000134402855 358789648 /nfs/dbraw/zinc/78/96/48/358789648.db2.gz JGXOMBFZHHUTFC-MNOVXSKESA-N 2 1 225.336 0.218 20 30 BCEDMP C#CC[NH+](C)CCCN[C@H]1C[N@H+](C)C[C@@H]1C ZINC000382047710 367481130 /nfs/dbraw/zinc/48/11/30/367481130.db2.gz CKEBEVRSELNVCA-STQMWFEESA-N 2 1 223.364 0.481 20 30 BCEDMP C#CC[N@@H+](C)CCCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000382047710 367481136 /nfs/dbraw/zinc/48/11/36/367481136.db2.gz CKEBEVRSELNVCA-STQMWFEESA-N 2 1 223.364 0.481 20 30 BCEDMP C#CC[N@H+](C)CCCN[C@H]1C[NH+](C)C[C@@H]1C ZINC000382047710 367481145 /nfs/dbraw/zinc/48/11/45/367481145.db2.gz CKEBEVRSELNVCA-STQMWFEESA-N 2 1 223.364 0.481 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000405410252 384295633 /nfs/dbraw/zinc/29/56/33/384295633.db2.gz TXYHGTYMHAAFFY-IUCAKERBSA-N 2 1 211.309 0.004 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000491633442 385263589 /nfs/dbraw/zinc/26/35/89/385263589.db2.gz QDHJSHZHJSHCLT-CHWSQXEVSA-N 2 1 249.358 0.342 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000491633442 385263593 /nfs/dbraw/zinc/26/35/93/385263593.db2.gz QDHJSHZHJSHCLT-CHWSQXEVSA-N 2 1 249.358 0.342 20 30 BCEDMP C#CCNC(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261776033 533140976 /nfs/dbraw/zinc/14/09/76/533140976.db2.gz OROZZOZUHQWLHH-ZYHUDNBSSA-N 2 1 234.347 0.267 20 30 BCEDMP C=CCN1CC[C@@H]([NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000647924202 385940311 /nfs/dbraw/zinc/94/03/11/385940311.db2.gz NXTVUCYJOKODDP-LLVKDONJSA-N 2 1 237.347 0.587 20 30 BCEDMP C=CCN1CC[C@H]([NH+]2CCC(C)([NH3+])CC2)C1=O ZINC000647924203 385940978 /nfs/dbraw/zinc/94/09/78/385940978.db2.gz NXTVUCYJOKODDP-NSHDSACASA-N 2 1 237.347 0.587 20 30 BCEDMP CCCCNC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000279952868 386759981 /nfs/dbraw/zinc/75/99/81/386759981.db2.gz IBUTWGMZTNXQLW-UHFFFAOYSA-N 2 1 224.352 0.953 20 30 BCEDMP CCCCNC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000279952868 386759990 /nfs/dbraw/zinc/75/99/90/386759990.db2.gz IBUTWGMZTNXQLW-UHFFFAOYSA-N 2 1 224.352 0.953 20 30 BCEDMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000514598751 387007441 /nfs/dbraw/zinc/00/74/41/387007441.db2.gz KEXRVDVKDUSVEA-LOWVWBTDSA-N 2 1 237.347 0.723 20 30 BCEDMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000514598751 387007447 /nfs/dbraw/zinc/00/74/47/387007447.db2.gz KEXRVDVKDUSVEA-LOWVWBTDSA-N 2 1 237.347 0.723 20 30 BCEDMP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143807 387754979 /nfs/dbraw/zinc/75/49/79/387754979.db2.gz GGNJUXNBDODNBN-WDEREUQCSA-N 2 1 238.335 0.218 20 30 BCEDMP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424145704 387769143 /nfs/dbraw/zinc/76/91/43/387769143.db2.gz OGYBPJVCIAKEGC-QWRGUYRKSA-N 2 1 238.335 0.170 20 30 BCEDMP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424145704 387769148 /nfs/dbraw/zinc/76/91/48/387769148.db2.gz OGYBPJVCIAKEGC-QWRGUYRKSA-N 2 1 238.335 0.170 20 30 BCEDMP C[C@@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CC[N@H+]1C ZINC000353978870 387836991 /nfs/dbraw/zinc/83/69/91/387836991.db2.gz OGQWYPPVMJVPHE-GHMZBOCLSA-N 2 1 248.334 0.222 20 30 BCEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000451610494 388283756 /nfs/dbraw/zinc/28/37/56/388283756.db2.gz GEHLLTUCRBHZQG-XQQFMLRXSA-N 2 1 240.347 0.375 20 30 BCEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000451610494 388283757 /nfs/dbraw/zinc/28/37/57/388283757.db2.gz GEHLLTUCRBHZQG-XQQFMLRXSA-N 2 1 240.347 0.375 20 30 BCEDMP C#CCNC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000491439813 388294622 /nfs/dbraw/zinc/29/46/22/388294622.db2.gz LYUGZHOARGBCFZ-CQSZACIVSA-N 2 1 249.358 0.154 20 30 BCEDMP C#CC[NH+](CC#C)CCCc1c[nH+]cn1C ZINC000491809939 388322801 /nfs/dbraw/zinc/32/28/01/388322801.db2.gz HDGIYPOLVSTUEV-UHFFFAOYSA-N 2 1 215.300 0.921 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000347348239 388522304 /nfs/dbraw/zinc/52/23/04/388522304.db2.gz UDLCGQUQQUSQQB-NWDGAFQWSA-N 2 1 237.347 0.505 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347348239 388522308 /nfs/dbraw/zinc/52/23/08/388522308.db2.gz UDLCGQUQQUSQQB-NWDGAFQWSA-N 2 1 237.347 0.505 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000328285205 388590692 /nfs/dbraw/zinc/59/06/92/388590692.db2.gz QECSBXAEQQVHOP-STQMWFEESA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000328285205 388590695 /nfs/dbraw/zinc/59/06/95/388590695.db2.gz QECSBXAEQQVHOP-STQMWFEESA-N 2 1 224.348 0.956 20 30 BCEDMP C[N@H+](CCNC(=[NH2+])Nc1ccccn1)C1CC1 ZINC000262013540 135114488 /nfs/dbraw/zinc/11/44/88/135114488.db2.gz VAHUMERAVFFXBO-UHFFFAOYSA-N 2 1 233.319 0.902 20 30 BCEDMP C[N@@H+](CCNC(=[NH2+])Nc1ccccn1)C1CC1 ZINC000262013540 135114490 /nfs/dbraw/zinc/11/44/90/135114490.db2.gz VAHUMERAVFFXBO-UHFFFAOYSA-N 2 1 233.319 0.902 20 30 BCEDMP CCCNC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264077253 135131944 /nfs/dbraw/zinc/13/19/44/135131944.db2.gz GFCVHINAGBEONC-UHFFFAOYSA-N 2 1 223.324 0.896 20 30 BCEDMP CNC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267443718 135155139 /nfs/dbraw/zinc/15/51/39/135155139.db2.gz PSDDCJWVKGBWLK-UHFFFAOYSA-N 2 1 209.297 0.506 20 30 BCEDMP CC[N@H+]1CC[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000261538284 135175337 /nfs/dbraw/zinc/17/53/37/135175337.db2.gz XQUBUQMIGQJHGW-JTQLQIEISA-N 2 1 210.325 0.219 20 30 BCEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261723771 135248488 /nfs/dbraw/zinc/24/84/88/135248488.db2.gz GFGWYWFSBPROCX-MNOVXSKESA-N 2 1 240.351 0.021 20 30 BCEDMP CC[N@H+]1CC[C@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000262000461 135271319 /nfs/dbraw/zinc/27/13/19/135271319.db2.gz PLKKKJJOYVWYAO-LLVKDONJSA-N 2 1 226.368 0.807 20 30 BCEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCCC1 ZINC000262193339 135285710 /nfs/dbraw/zinc/28/57/10/135285710.db2.gz ZARBEZJWRGZJGI-LLVKDONJSA-N 2 1 224.352 0.609 20 30 BCEDMP CNC(NC[C@@]1([NH+](C)C)CCSC1)=[NH+]C ZINC000262424007 135296455 /nfs/dbraw/zinc/29/64/55/135296455.db2.gz CBIXXKORLNZCPS-JTQLQIEISA-N 2 1 230.381 0.219 20 30 BCEDMP C[C@@H]1C[NH+]=C(NC[C@]2([NH+](C)C)CCSC2)N1 ZINC000262661777 135311827 /nfs/dbraw/zinc/31/18/27/135311827.db2.gz NBFYJTUEWVBUNK-MWLCHTKSSA-N 2 1 242.392 0.361 20 30 BCEDMP C[C@@H]1C[NH+]=C(NC[C@@]2([NH+](C)C)CCSC2)N1 ZINC000262661776 135312118 /nfs/dbraw/zinc/31/21/18/135312118.db2.gz NBFYJTUEWVBUNK-KOLCDFICSA-N 2 1 242.392 0.361 20 30 BCEDMP CCC[N@H+]1CC[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262676434 135313055 /nfs/dbraw/zinc/31/30/55/135313055.db2.gz UBIDUZKDUJTUPI-MNOVXSKESA-N 2 1 224.352 0.656 20 30 BCEDMP COCC[N@H+]1CCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262681246 135313334 /nfs/dbraw/zinc/31/33/34/135313334.db2.gz WFGYJLFMAUIDOG-GHMZBOCLSA-N 2 1 240.351 0.035 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000491674943 398059720 /nfs/dbraw/zinc/05/97/20/398059720.db2.gz STSJQYNQWMGPBW-NEPJUHHUSA-N 2 1 237.347 0.198 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000069724268 166365014 /nfs/dbraw/zinc/36/50/14/166365014.db2.gz VGEOCPKKDGYPPP-LLVKDONJSA-N 2 1 225.336 0.349 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404313310 411390686 /nfs/dbraw/zinc/39/06/86/411390686.db2.gz XZQGAAHGXCXFFE-NWDGAFQWSA-N 2 1 239.363 0.738 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404313310 411390689 /nfs/dbraw/zinc/39/06/89/411390689.db2.gz XZQGAAHGXCXFFE-NWDGAFQWSA-N 2 1 239.363 0.738 20 30 BCEDMP CN(C(=[NH2+])NCC[N@H+]1CC=CCC1)C1CC1 ZINC000279950237 172292574 /nfs/dbraw/zinc/29/25/74/172292574.db2.gz HTXNAHVZKOGWFX-UHFFFAOYSA-N 2 1 222.336 0.657 20 30 BCEDMP CN(C(=[NH2+])NCC[N@@H+]1CC=CCC1)C1CC1 ZINC000279950237 172292575 /nfs/dbraw/zinc/29/25/75/172292575.db2.gz HTXNAHVZKOGWFX-UHFFFAOYSA-N 2 1 222.336 0.657 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251634820 487780196 /nfs/dbraw/zinc/78/01/96/487780196.db2.gz FPVXMUCYTSWZFN-QJPTWQEYSA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251634820 487780200 /nfs/dbraw/zinc/78/02/00/487780200.db2.gz FPVXMUCYTSWZFN-QJPTWQEYSA-N 2 1 239.363 0.736 20 30 BCEDMP C[N@H+](C[C@H](O)C[NH2+]CC1(CC#N)CC1)C1CC1 ZINC000570325144 323056282 /nfs/dbraw/zinc/05/62/82/323056282.db2.gz NBMPUFKOKWVIPT-GFCCVEGCSA-N 2 1 237.347 0.725 20 30 BCEDMP C[N@@H+](C[C@H](O)C[NH2+]CC1(CC#N)CC1)C1CC1 ZINC000570325144 323056283 /nfs/dbraw/zinc/05/62/83/323056283.db2.gz NBMPUFKOKWVIPT-GFCCVEGCSA-N 2 1 237.347 0.725 20 30 BCEDMP C=CC[N@H+](C[C@H](O)CN(C)CCOC)C1CC1 ZINC000563628330 323132369 /nfs/dbraw/zinc/13/23/69/323132369.db2.gz FIJWWGJVTFUQFL-CYBMUJFWSA-N 2 1 242.363 0.576 20 30 BCEDMP C=CCN(C[C@H](O)C[N@@H+](C)CCOC)C1CC1 ZINC000563628330 323132370 /nfs/dbraw/zinc/13/23/70/323132370.db2.gz FIJWWGJVTFUQFL-CYBMUJFWSA-N 2 1 242.363 0.576 20 30 BCEDMP C=CCN(C[C@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000563628330 323132371 /nfs/dbraw/zinc/13/23/71/323132371.db2.gz FIJWWGJVTFUQFL-CYBMUJFWSA-N 2 1 242.363 0.576 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@H]1CC[N@H+](CCC)C1 ZINC000264077234 534843599 /nfs/dbraw/zinc/84/35/99/534843599.db2.gz GEOJQEGSHHOPBX-LLVKDONJSA-N 2 1 224.352 0.809 20 30 BCEDMP CC(C)NC(=[NH2+])NC[C@]1([NH+](C)C)CCSC1 ZINC000262487123 535125151 /nfs/dbraw/zinc/12/51/51/535125151.db2.gz SUHLSORCTSIYBC-LLVKDONJSA-N 2 1 244.408 0.736 20 30 BCEDMP C[NH+](C)C1(CNC(=[NH2+])N2CCSCC2)CC1 ZINC000263119819 536111342 /nfs/dbraw/zinc/11/13/42/536111342.db2.gz LYCIZMZPSBVPBI-UHFFFAOYSA-N 2 1 242.392 0.444 20 30 BCEDMP CN1CCC[NH+]=C1NCC[C@H]1CCC[N@@H+](C)C1 ZINC000263133645 536382403 /nfs/dbraw/zinc/38/24/03/536382403.db2.gz NIVZQQVOBWPSFI-GFCCVEGCSA-N 2 1 238.379 0.999 20 30 BCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000111994597 588778058 /nfs/dbraw/zinc/77/80/58/588778058.db2.gz IHYNQSUVLTXIRB-LLVKDONJSA-N 2 1 224.352 0.928 20 30 BCEDMP COC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000104191723 583163037 /nfs/dbraw/zinc/16/30/37/583163037.db2.gz RQTXNBRXTFDORC-JTQLQIEISA-N 2 1 230.356 0.266 20 30 BCEDMP C=CCNC(=O)C[NH2+]Cc1c(C)ccnc1N ZINC000894374786 583442016 /nfs/dbraw/zinc/44/20/16/583442016.db2.gz FXDIIIYIHRMMQB-UHFFFAOYSA-N 2 1 234.303 0.364 20 30 BCEDMP N#CC1CCC(C[N@H+](CC[NH3+])CCO)CC1 ZINC000903449563 584771154 /nfs/dbraw/zinc/77/11/54/584771154.db2.gz UPIJRNGDTZAVCX-UHFFFAOYSA-N 2 1 225.336 0.569 20 30 BCEDMP N#CC1CCC(C[N@@H+](CC[NH3+])CCO)CC1 ZINC000903449563 584771155 /nfs/dbraw/zinc/77/11/55/584771155.db2.gz UPIJRNGDTZAVCX-UHFFFAOYSA-N 2 1 225.336 0.569 20 30 BCEDMP C#C[C@@H]1COCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930079 584824273 /nfs/dbraw/zinc/82/42/73/584824273.db2.gz RLBXPLGXHIVPTD-WTUNAVPPSA-N 2 1 234.343 0.851 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCn1ccnc1 ZINC000730277104 584898794 /nfs/dbraw/zinc/89/87/94/584898794.db2.gz XGFGPXVGEGDFLN-LBPRGKRZSA-N 2 1 246.314 0.097 20 30 BCEDMP C#CCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000760841714 584908490 /nfs/dbraw/zinc/90/84/90/584908490.db2.gz YFSWDXQISJJTAV-UHFFFAOYSA-N 2 1 224.348 0.788 20 30 BCEDMP C#CCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000760841714 584908491 /nfs/dbraw/zinc/90/84/91/584908491.db2.gz YFSWDXQISJJTAV-UHFFFAOYSA-N 2 1 224.348 0.788 20 30 BCEDMP C[C@@H]1CC(=NN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000741450778 585114092 /nfs/dbraw/zinc/11/40/92/585114092.db2.gz AVWKNSHQSDMQSG-LLVKDONJSA-N 2 1 224.352 0.704 20 30 BCEDMP C[C@@H]1CC(=NN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000741450778 585114093 /nfs/dbraw/zinc/11/40/93/585114093.db2.gz AVWKNSHQSDMQSG-LLVKDONJSA-N 2 1 224.352 0.704 20 30 BCEDMP CC[N@H+]1CCC(=NNC2=[NH+][C@H](C)CN2)[C@@H](C)C1 ZINC000779793855 585764139 /nfs/dbraw/zinc/76/41/39/585764139.db2.gz BFCMCDNVPRYUOY-VHSXEESVSA-N 2 1 237.351 0.641 20 30 BCEDMP C#CC[N@@H+](C)CCCNc1nc(N(C)C)cc[nH+]1 ZINC000814929991 586652703 /nfs/dbraw/zinc/65/27/03/586652703.db2.gz RDQVQJCWHFBJBH-UHFFFAOYSA-N 2 1 247.346 0.910 20 30 BCEDMP C#CC[N@H+](C)CCCNc1nc(N(C)C)cc[nH+]1 ZINC000814929991 586652704 /nfs/dbraw/zinc/65/27/04/586652704.db2.gz RDQVQJCWHFBJBH-UHFFFAOYSA-N 2 1 247.346 0.910 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)C1CC1 ZINC000819334098 586952988 /nfs/dbraw/zinc/95/29/88/586952988.db2.gz BXTKTZLNBJPUJL-LBPRGKRZSA-N 2 1 210.321 0.302 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)C1CC1 ZINC000819334098 586952989 /nfs/dbraw/zinc/95/29/89/586952989.db2.gz BXTKTZLNBJPUJL-LBPRGKRZSA-N 2 1 210.321 0.302 20 30 BCEDMP C#CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830629988 587561414 /nfs/dbraw/zinc/56/14/14/587561414.db2.gz CPZYWZTYNOGJBK-UHFFFAOYSA-N 2 1 208.305 0.416 20 30 BCEDMP C#CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830629988 587561416 /nfs/dbraw/zinc/56/14/16/587561416.db2.gz CPZYWZTYNOGJBK-UHFFFAOYSA-N 2 1 208.305 0.416 20 30 BCEDMP CC[N@@H+]1CCC(N=NC2=[NH+]CCN2)[C@@H](C)C1 ZINC000841660103 587969654 /nfs/dbraw/zinc/96/96/54/587969654.db2.gz VCIUFALFRFKIOM-VIFPVBQESA-N 2 1 223.324 0.253 20 30 BCEDMP CC[N@H+]1CCC(N=NC2=[NH+]CCN2)[C@@H](C)C1 ZINC000841660103 587969656 /nfs/dbraw/zinc/96/96/56/587969656.db2.gz VCIUFALFRFKIOM-VIFPVBQESA-N 2 1 223.324 0.253 20 30 BCEDMP C#CC1CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000847012909 588301510 /nfs/dbraw/zinc/30/15/10/588301510.db2.gz SRSNWJMFRNMGLY-ZDUSSCGKSA-N 2 1 224.348 0.644 20 30 BCEDMP CC[N@H+](CCNC(NC1CC1)=[NH+]C)C1CC1 ZINC000849000946 588430634 /nfs/dbraw/zinc/43/06/34/588430634.db2.gz HZQAYWJZRCARQK-UHFFFAOYSA-N 2 1 224.352 0.798 20 30 BCEDMP CC[N@@H+](CCNC(NC1CC1)=[NH+]C)C1CC1 ZINC000849000946 588430636 /nfs/dbraw/zinc/43/06/36/588430636.db2.gz HZQAYWJZRCARQK-UHFFFAOYSA-N 2 1 224.352 0.798 20 30 BCEDMP C[C@@H]1CC[N@@H+](CCNC2=[NH+]C[C@@H](C)N2)C1 ZINC000849004266 588431892 /nfs/dbraw/zinc/43/18/92/588431892.db2.gz KCZKJPGOZMACKK-NXEZZACHSA-N 2 1 210.325 0.266 20 30 BCEDMP C=CCNC(=[NH2+])NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004777 588432113 /nfs/dbraw/zinc/43/21/13/588432113.db2.gz ZBQDJFWILHCHRN-SNVBAGLBSA-N 2 1 210.325 0.628 20 30 BCEDMP C[NH+]=C(NC[C@H]1CCC[N@@H+](C)C1)NC1CC1 ZINC000849005597 588432431 /nfs/dbraw/zinc/43/24/31/588432431.db2.gz ZQIBXWWHDQMCQT-SNVBAGLBSA-N 2 1 224.352 0.656 20 30 BCEDMP CCNC(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]CC ZINC000849020500 588438508 /nfs/dbraw/zinc/43/85/08/588438508.db2.gz YCGBHVINJQZTND-JTQLQIEISA-N 2 1 235.335 0.773 20 30 BCEDMP C#CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708181 588697242 /nfs/dbraw/zinc/69/72/42/588697242.db2.gz SNYQNKSDNAUSMA-ZDUSSCGKSA-N 2 1 222.332 0.541 20 30 BCEDMP C#CCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852708181 588697243 /nfs/dbraw/zinc/69/72/43/588697243.db2.gz SNYQNKSDNAUSMA-ZDUSSCGKSA-N 2 1 222.332 0.541 20 30 BCEDMP C[N@H+]1CC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858586 588708890 /nfs/dbraw/zinc/70/88/90/588708890.db2.gz FBTFNJOWEGAMKC-ZDUSSCGKSA-N 2 1 249.358 0.057 20 30 BCEDMP C[N@H+]1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852876315 588710207 /nfs/dbraw/zinc/71/02/07/588710207.db2.gz XZJLXDSCFDGONS-UHFFFAOYSA-N 2 1 249.358 0.154 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000862725945 589236842 /nfs/dbraw/zinc/23/68/42/589236842.db2.gz CNRZWLKUMADOOK-LLVKDONJSA-N 2 1 225.336 0.315 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864465764 589370716 /nfs/dbraw/zinc/37/07/16/589370716.db2.gz BUPUEVYVXJFCID-GHMZBOCLSA-N 2 1 222.336 0.464 20 30 BCEDMP C[NH+]1CCN(N=C2C[NH+]3CCC2CC3)CC1 ZINC000864831808 589396897 /nfs/dbraw/zinc/39/68/97/589396897.db2.gz PTJYUNPWWCBZPL-UHFFFAOYSA-N 2 1 222.336 0.315 20 30 BCEDMP C=CC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709520 589514565 /nfs/dbraw/zinc/51/45/65/589514565.db2.gz RSPPLXRSRYAODU-MXWKQRLJSA-N 2 1 237.303 0.039 20 30 BCEDMP C#CCOCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580317 590820698 /nfs/dbraw/zinc/82/06/98/590820698.db2.gz SINJYTYAYBRDIW-STQMWFEESA-N 2 1 222.332 0.662 20 30 BCEDMP C#CCOCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580317 590820703 /nfs/dbraw/zinc/82/07/03/590820703.db2.gz SINJYTYAYBRDIW-STQMWFEESA-N 2 1 222.332 0.662 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580317 590820704 /nfs/dbraw/zinc/82/07/04/590820704.db2.gz SINJYTYAYBRDIW-STQMWFEESA-N 2 1 222.332 0.662 20 30 BCEDMP C#CCOCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580317 590820706 /nfs/dbraw/zinc/82/07/06/590820706.db2.gz SINJYTYAYBRDIW-STQMWFEESA-N 2 1 222.332 0.662 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001022221377 631422214 /nfs/dbraw/zinc/42/22/14/631422214.db2.gz DGOPMRPRJRUNAO-XQQFMLRXSA-N 2 1 249.358 0.341 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001022221377 631422224 /nfs/dbraw/zinc/42/22/24/631422224.db2.gz DGOPMRPRJRUNAO-XQQFMLRXSA-N 2 1 249.358 0.341 20 30 BCEDMP C=C(C)[C@@H](CO)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933736580 631498929 /nfs/dbraw/zinc/49/89/29/631498929.db2.gz XADMJTWLESFFKR-UPJWGTAASA-N 2 1 224.348 0.807 20 30 BCEDMP C=C(C)[C@@H](CO)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933736580 631498940 /nfs/dbraw/zinc/49/89/40/631498940.db2.gz XADMJTWLESFFKR-UPJWGTAASA-N 2 1 224.348 0.807 20 30 BCEDMP C=C(C)[C@@H](CO)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933736580 631498947 /nfs/dbraw/zinc/49/89/47/631498947.db2.gz XADMJTWLESFFKR-UPJWGTAASA-N 2 1 224.348 0.807 20 30 BCEDMP C=C(C)[C@@H](CO)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933736580 631498952 /nfs/dbraw/zinc/49/89/52/631498952.db2.gz XADMJTWLESFFKR-UPJWGTAASA-N 2 1 224.348 0.807 20 30 BCEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028314886 635651226 /nfs/dbraw/zinc/65/12/26/635651226.db2.gz FIDKUSQFTZWQMM-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028314886 635651232 /nfs/dbraw/zinc/65/12/32/635651232.db2.gz FIDKUSQFTZWQMM-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028314886 635651240 /nfs/dbraw/zinc/65/12/40/635651240.db2.gz FIDKUSQFTZWQMM-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP CCCC[N@@H+](C)CCNC1=[NH+]CCN1C ZINC000849005837 631908489 /nfs/dbraw/zinc/90/84/89/631908489.db2.gz VRUGPZXIDWQGDN-UHFFFAOYSA-N 2 1 212.341 0.609 20 30 BCEDMP CNC(NC[C@@H]1CCC[N@H+](C(C)C)C1)=[NH+]C ZINC000161527484 632072164 /nfs/dbraw/zinc/07/21/64/632072164.db2.gz DUWOZIBDAWMLGW-NSHDSACASA-N 2 1 226.368 0.902 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001022973359 632089622 /nfs/dbraw/zinc/08/96/22/632089622.db2.gz IEQXNUZUTPUAOX-RWMBFGLXSA-N 2 1 249.358 0.198 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928427604 635905998 /nfs/dbraw/zinc/90/59/98/635905998.db2.gz KDWZSCIJTADEMA-NEPJUHHUSA-N 2 1 239.363 0.703 20 30 BCEDMP C#CCCCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309468297 633112450 /nfs/dbraw/zinc/11/24/50/633112450.db2.gz TYHHWBRHNXTQJV-CYBMUJFWSA-N 2 1 224.348 0.835 20 30 BCEDMP C#CCCCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309468297 633112454 /nfs/dbraw/zinc/11/24/54/633112454.db2.gz TYHHWBRHNXTQJV-CYBMUJFWSA-N 2 1 224.348 0.835 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC000327959598 633199369 /nfs/dbraw/zinc/19/93/69/633199369.db2.gz CETYLVJXKOYBBQ-ZDUSSCGKSA-N 2 1 224.348 0.958 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC000327959598 633199373 /nfs/dbraw/zinc/19/93/73/633199373.db2.gz CETYLVJXKOYBBQ-ZDUSSCGKSA-N 2 1 224.348 0.958 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]CC1(C)COC1 ZINC000328017540 633213179 /nfs/dbraw/zinc/21/31/79/633213179.db2.gz RPMSSDYEKBHQSM-UHFFFAOYSA-N 2 1 210.321 0.568 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(C)COC1 ZINC000328017540 633213183 /nfs/dbraw/zinc/21/31/83/633213183.db2.gz RPMSSDYEKBHQSM-UHFFFAOYSA-N 2 1 210.321 0.568 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928445082 635948605 /nfs/dbraw/zinc/94/86/05/635948605.db2.gz WQCUSOCQQMNZBH-MNOVXSKESA-N 2 1 225.336 0.313 20 30 BCEDMP C[NH+]1CCC(C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000895109855 636060885 /nfs/dbraw/zinc/06/08/85/636060885.db2.gz XJDBEIVXESIFOZ-ZDUSSCGKSA-N 2 1 237.347 0.679 20 30 BCEDMP C=CCOCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328573973 633779979 /nfs/dbraw/zinc/77/99/79/633779979.db2.gz WKXFXUPGYNICDM-NWBUJAPZSA-N 2 1 222.332 0.775 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(NC1CC1)=[NH+]C ZINC000303386903 636308238 /nfs/dbraw/zinc/30/82/38/636308238.db2.gz AWMMXMMUWYPAMZ-LLVKDONJSA-N 2 1 224.352 0.798 20 30 BCEDMP C#CC[NH2+]CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911849219 639858885 /nfs/dbraw/zinc/85/88/85/639858885.db2.gz YUERCIMRCFEWGH-SNVBAGLBSA-N 2 1 231.299 0.868 20 30 BCEDMP C#CCNC(=O)CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931439747 640206007 /nfs/dbraw/zinc/20/60/07/640206007.db2.gz YTEIBYYGAYCZKF-OLZOCXBDSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CCNC(=O)CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439747 640206017 /nfs/dbraw/zinc/20/60/17/640206017.db2.gz YTEIBYYGAYCZKF-OLZOCXBDSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CCNC(=O)CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439747 640206026 /nfs/dbraw/zinc/20/60/26/640206026.db2.gz YTEIBYYGAYCZKF-OLZOCXBDSA-N 2 1 249.358 0.009 20 30 BCEDMP C[N@H+]1CC[C@@H]2CN(C[C@H](O)CC#N)CC[C@H]21 ZINC000931545454 640265408 /nfs/dbraw/zinc/26/54/08/640265408.db2.gz FGYDGNVNFQPKGZ-IJLUTSLNSA-N 2 1 223.320 0.287 20 30 BCEDMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])N(C)C ZINC000170913330 640938270 /nfs/dbraw/zinc/93/82/70/640938270.db2.gz DTXIMAPQCFCIAQ-SNVBAGLBSA-N 2 1 212.341 0.737 20 30 BCEDMP C[C@@H](CNC(=[NH2+])N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000170913292 640938642 /nfs/dbraw/zinc/93/86/42/640938642.db2.gz VOOLKOGVMWIIME-MNOVXSKESA-N 2 1 226.368 0.983 20 30 BCEDMP C#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001014954108 641212573 /nfs/dbraw/zinc/21/25/73/641212573.db2.gz JNJSBAFMJLGMIK-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCN1CC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001014954108 641212578 /nfs/dbraw/zinc/21/25/78/641212578.db2.gz JNJSBAFMJLGMIK-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001021895507 642441735 /nfs/dbraw/zinc/44/17/35/642441735.db2.gz OUMKBAVIHWMBIP-TUAOUCFPSA-N 2 1 237.347 0.503 20 30 BCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962560785 642731875 /nfs/dbraw/zinc/73/18/75/642731875.db2.gz WYRVHMOFZSXCOG-WUHRBBMRSA-N 2 1 249.358 0.171 20 30 BCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962560785 642731878 /nfs/dbraw/zinc/73/18/78/642731878.db2.gz WYRVHMOFZSXCOG-WUHRBBMRSA-N 2 1 249.358 0.171 20 30 BCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962560785 642731882 /nfs/dbraw/zinc/73/18/82/642731882.db2.gz WYRVHMOFZSXCOG-WUHRBBMRSA-N 2 1 249.358 0.171 20 30 BCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016256948 642952347 /nfs/dbraw/zinc/95/23/47/642952347.db2.gz TXAPAFJHEVLHCO-NEPJUHHUSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016256948 642952361 /nfs/dbraw/zinc/95/23/61/642952361.db2.gz TXAPAFJHEVLHCO-NEPJUHHUSA-N 2 1 237.347 0.315 20 30 BCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016251554 642953260 /nfs/dbraw/zinc/95/32/60/642953260.db2.gz VSQCMSQMPHZFKE-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016251554 642953267 /nfs/dbraw/zinc/95/32/67/642953267.db2.gz VSQCMSQMPHZFKE-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016248624 642954225 /nfs/dbraw/zinc/95/42/25/642954225.db2.gz CGUAALGCDRLMSR-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016248624 642954230 /nfs/dbraw/zinc/95/42/30/642954230.db2.gz CGUAALGCDRLMSR-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001020396962 643082322 /nfs/dbraw/zinc/08/23/22/643082322.db2.gz LNTWNDOVQRHVAW-HAQNSBGRSA-N 2 1 248.330 0.614 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001020585293 643220446 /nfs/dbraw/zinc/22/04/46/643220446.db2.gz PQBJXZFCUSSRID-JHJVBQTASA-N 2 1 249.358 0.341 20 30 BCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186768 643282226 /nfs/dbraw/zinc/28/22/26/643282226.db2.gz WHGMBMHPLKDNCC-CYBMUJFWSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001020925153 643339501 /nfs/dbraw/zinc/33/95/01/643339501.db2.gz IEQXNUZUTPUAOX-JHJVBQTASA-N 2 1 249.358 0.198 20 30 BCEDMP C=CCC[C@H](O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000923280005 644310698 /nfs/dbraw/zinc/31/06/98/644310698.db2.gz WCVQTTBMJXNANU-LBPRGKRZSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000923286008 644320775 /nfs/dbraw/zinc/32/07/75/644320775.db2.gz KXMYHMPSHICNBP-VXGBXAGGSA-N 2 1 212.337 0.855 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923291811 644330456 /nfs/dbraw/zinc/33/04/56/644330456.db2.gz UONHXDFCHAHXDA-WOPDTQHZSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CCC[C@H]1C[NH2+]C ZINC000923295072 644331605 /nfs/dbraw/zinc/33/16/05/644331605.db2.gz RNCZDKJYTDELSU-RYUDHWBXSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000923295072 644331610 /nfs/dbraw/zinc/33/16/10/644331610.db2.gz RNCZDKJYTDELSU-RYUDHWBXSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000923355542 644371541 /nfs/dbraw/zinc/37/15/41/644371541.db2.gz NJGDIQXRUZEMFH-VXGBXAGGSA-N 2 1 212.337 0.984 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923411752 644414438 /nfs/dbraw/zinc/41/44/38/644414438.db2.gz RKAGFGQXRHSQMV-UTUOFQBUSA-N 2 1 212.337 0.840 20 30 BCEDMP C=CCC[C@@H](O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000923414005 644417235 /nfs/dbraw/zinc/41/72/35/644417235.db2.gz UIDZLYSBFYKJTQ-CYBMUJFWSA-N 2 1 242.363 0.360 20 30 BCEDMP C#CCN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000923552014 644495128 /nfs/dbraw/zinc/49/51/28/644495128.db2.gz RYYCHUKDWVHBSJ-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000923552014 644495132 /nfs/dbraw/zinc/49/51/32/644495132.db2.gz RYYCHUKDWVHBSJ-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000786447765 644775258 /nfs/dbraw/zinc/77/52/58/644775258.db2.gz YMIZVQIYXNOLOT-LBPRGKRZSA-N 2 1 212.337 0.951 20 30 BCEDMP CNC(NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]C ZINC000303252172 644812176 /nfs/dbraw/zinc/81/21/76/644812176.db2.gz BERDAOISNZZKOY-PHIMTYICSA-N 2 1 242.367 0.281 20 30 BCEDMP CCNC(NC[C@@H]1CCC[N@H+]1C)=[NH+]CC ZINC000303256284 644813923 /nfs/dbraw/zinc/81/39/23/644813923.db2.gz HUQYHNRRNJZWIP-JTQLQIEISA-N 2 1 212.341 0.656 20 30 BCEDMP CCOCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303785693 644846371 /nfs/dbraw/zinc/84/63/71/644846371.db2.gz QOLORMYRZWEWFU-NSHDSACASA-N 2 1 242.367 0.412 20 30 BCEDMP CCN(CC)C(=[NH2+])NCC[N@@H+](C)C(C)C ZINC000303976501 644861020 /nfs/dbraw/zinc/86/10/20/644861020.db2.gz KGWJAPIGYAXBGL-UHFFFAOYSA-N 2 1 214.357 0.983 20 30 BCEDMP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000303968780 644860847 /nfs/dbraw/zinc/86/08/47/644860847.db2.gz AZOUNSNICVNYAI-UWVGGRQHSA-N 2 1 242.367 0.408 20 30 BCEDMP CC[N@@H+](CCNC(=[NH2+])N[C@@H](C)COC)C1CC1 ZINC000303969841 644861849 /nfs/dbraw/zinc/86/18/49/644861849.db2.gz CFVDGCZXZSGUNW-JTQLQIEISA-N 2 1 242.367 0.410 20 30 BCEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925682352 646408922 /nfs/dbraw/zinc/40/89/22/646408922.db2.gz BDXDUQOBZHQILN-DJQKSGLPSA-N 2 1 234.343 0.916 20 30 BCEDMP C[C@H](C#N)OCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379905795 712623963 /nfs/dbraw/zinc/62/39/63/712623963.db2.gz IBKBQFVXUOMOCL-MXWKQRLJSA-N 2 1 209.293 0.066 20 30 BCEDMP C[C@H](C#N)OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379905795 712623964 /nfs/dbraw/zinc/62/39/64/712623964.db2.gz IBKBQFVXUOMOCL-MXWKQRLJSA-N 2 1 209.293 0.066 20 30 BCEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039027155 710716887 /nfs/dbraw/zinc/71/68/87/710716887.db2.gz JDAKWVLZPMYRPT-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039027155 710716890 /nfs/dbraw/zinc/71/68/90/710716890.db2.gz JDAKWVLZPMYRPT-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039027155 710716894 /nfs/dbraw/zinc/71/68/94/710716894.db2.gz JDAKWVLZPMYRPT-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039027155 710716896 /nfs/dbraw/zinc/71/68/96/710716896.db2.gz JDAKWVLZPMYRPT-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000393835036 711177224 /nfs/dbraw/zinc/17/72/24/711177224.db2.gz MUCCRUAVXJTEFF-YOGCLGLASA-N 2 1 237.347 0.503 20 30 BCEDMP C=CCNC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000393835036 711177225 /nfs/dbraw/zinc/17/72/25/711177225.db2.gz MUCCRUAVXJTEFF-YOGCLGLASA-N 2 1 237.347 0.503 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033661913 712012072 /nfs/dbraw/zinc/01/20/72/712012072.db2.gz NKEALMLVNZETBP-QWHCGFSZSA-N 2 1 249.358 0.104 20 30 BCEDMP C=CCOCCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000390616158 398175398 /nfs/dbraw/zinc/17/53/98/398175398.db2.gz CXVVIJYWPCFSTC-LBPRGKRZSA-N 2 1 228.336 0.234 20 30 BCEDMP C=CCOCCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000390616158 398175401 /nfs/dbraw/zinc/17/54/01/398175401.db2.gz CXVVIJYWPCFSTC-LBPRGKRZSA-N 2 1 228.336 0.234 20 30 BCEDMP C=CC[C@H](CO)[NH2+]C1CC[NH+](CC)CC1 ZINC000336766551 136221033 /nfs/dbraw/zinc/22/10/33/136221033.db2.gz RQWXYBIGQLNUFM-GFCCVEGCSA-N 2 1 212.337 0.997 20 30 BCEDMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602610728 349634420 /nfs/dbraw/zinc/63/44/20/349634420.db2.gz JCBUNWXJXSICRX-BPCQOVAHSA-N 2 1 237.347 0.725 20 30 BCEDMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602610728 349634422 /nfs/dbraw/zinc/63/44/22/349634422.db2.gz JCBUNWXJXSICRX-BPCQOVAHSA-N 2 1 237.347 0.725 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)Cn1cncn1 ZINC000491784425 259378172 /nfs/dbraw/zinc/37/81/72/259378172.db2.gz PLVUDYNDPLCRJV-ZDUSSCGKSA-N 2 1 249.362 0.601 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)Cn1cncn1 ZINC000491784425 259378174 /nfs/dbraw/zinc/37/81/74/259378174.db2.gz PLVUDYNDPLCRJV-ZDUSSCGKSA-N 2 1 249.362 0.601 20 30 BCEDMP N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000378867411 345688004 /nfs/dbraw/zinc/68/80/04/345688004.db2.gz FCWQDBXPCUQQPR-WYUUTHIRSA-N 2 1 205.305 0.830 20 30 BCEDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309553803 347099612 /nfs/dbraw/zinc/09/96/12/347099612.db2.gz JBFHXLYYSRFDEK-UTUOFQBUSA-N 2 1 223.320 0.335 20 30 BCEDMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309553803 347099613 /nfs/dbraw/zinc/09/96/13/347099613.db2.gz JBFHXLYYSRFDEK-UTUOFQBUSA-N 2 1 223.320 0.335 20 30 BCEDMP CC(C)CNC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262492924 535064110 /nfs/dbraw/zinc/06/41/10/535064110.db2.gz YFGZJFJGHQDFOF-SNVBAGLBSA-N 2 1 235.335 0.758 20 30 BCEDMP COC[C@H](C)NC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000271815973 351439098 /nfs/dbraw/zinc/43/90/98/351439098.db2.gz OCFTVYRYXMIBJM-JTQLQIEISA-N 2 1 240.351 0.188 20 30 BCEDMP C=C[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336734856 351898958 /nfs/dbraw/zinc/89/89/58/351898958.db2.gz NPQHSVVZHWVYKZ-GRYCIOLGSA-N 2 1 210.321 0.750 20 30 BCEDMP C=C[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336734856 351898960 /nfs/dbraw/zinc/89/89/60/351898960.db2.gz NPQHSVVZHWVYKZ-GRYCIOLGSA-N 2 1 210.321 0.750 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070074592 353253314 /nfs/dbraw/zinc/25/33/14/353253314.db2.gz IKQMQAXXVAYIAR-SDDRHHMPSA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070074592 353253316 /nfs/dbraw/zinc/25/33/16/353253316.db2.gz IKQMQAXXVAYIAR-SDDRHHMPSA-N 2 1 239.363 0.736 20 30 BCEDMP CC#CC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344044950 354112846 /nfs/dbraw/zinc/11/28/46/354112846.db2.gz XVYAFBDDXURNDH-UHFFFAOYSA-N 2 1 225.380 0.825 20 30 BCEDMP C=CC[NH+]1CCC([NH2+]CCC(N)=O)CC1 ZINC000584345782 355366409 /nfs/dbraw/zinc/36/64/09/355366409.db2.gz AUWUFQUYNOGCJI-UHFFFAOYSA-N 2 1 211.309 0.102 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000420309979 192211299 /nfs/dbraw/zinc/21/12/99/192211299.db2.gz PFGZGZHMRMANRS-RVMXOQNASA-N 2 1 249.358 0.442 20 30 BCEDMP C#CCC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000371203998 134228060 /nfs/dbraw/zinc/22/80/60/134228060.db2.gz FBHQATHXJDCPMF-AWEZNQCLSA-N 2 1 235.375 0.722 20 30 BCEDMP CC#CCN(C)CC#CC[N@H+](C)CC#CC ZINC000293209529 491121513 /nfs/dbraw/zinc/12/15/13/491121513.db2.gz REGUDGQPBOSMDQ-UHFFFAOYSA-N 2 1 216.328 0.900 20 30 BCEDMP CC#CCN(C)CC#CC[N@@H+](C)CC#CC ZINC000293209529 491121514 /nfs/dbraw/zinc/12/15/14/491121514.db2.gz REGUDGQPBOSMDQ-UHFFFAOYSA-N 2 1 216.328 0.900 20 30 BCEDMP C=CC[C@H]1CC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000629547816 361432099 /nfs/dbraw/zinc/43/20/99/361432099.db2.gz GAIHYFRGYDTSHR-ZDUSSCGKSA-N 2 1 223.364 0.790 20 30 BCEDMP C=CCC[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000134919638 364418933 /nfs/dbraw/zinc/41/89/33/364418933.db2.gz MSYBUCUGMLHUSQ-MNOVXSKESA-N 2 1 200.326 0.853 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000631836590 369079800 /nfs/dbraw/zinc/07/98/00/369079800.db2.gz BXFHKIZRXHHTBZ-UTUOFQBUSA-N 2 1 237.347 0.300 20 30 BCEDMP C=C(C)COCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000163793329 384617024 /nfs/dbraw/zinc/61/70/24/384617024.db2.gz SDLMTXRSEYFOBS-CYBMUJFWSA-N 2 1 242.363 0.625 20 30 BCEDMP C=CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000309018384 385372436 /nfs/dbraw/zinc/37/24/36/385372436.db2.gz VPNYXYQGTLYLGZ-NEPJUHHUSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000309018384 385372441 /nfs/dbraw/zinc/37/24/41/385372441.db2.gz VPNYXYQGTLYLGZ-NEPJUHHUSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309018387 385372999 /nfs/dbraw/zinc/37/29/99/385372999.db2.gz VPNYXYQGTLYLGZ-VXGBXAGGSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309018387 385373002 /nfs/dbraw/zinc/37/30/02/385373002.db2.gz VPNYXYQGTLYLGZ-VXGBXAGGSA-N 2 1 212.337 0.997 20 30 BCEDMP C[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000170909549 385454838 /nfs/dbraw/zinc/45/48/38/385454838.db2.gz VVXVKRZDWAGANN-SNVBAGLBSA-N 2 1 233.319 0.902 20 30 BCEDMP C#CCNC(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)=[NH+]CC ZINC000261743746 533142971 /nfs/dbraw/zinc/14/29/71/533142971.db2.gz KXHKSVIPVPABDE-WCQYABFASA-N 2 1 248.374 0.657 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000519607226 386502978 /nfs/dbraw/zinc/50/29/78/386502978.db2.gz PMDBYYQOTWCZET-UTUOFQBUSA-N 2 1 237.347 0.442 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166224105 386765571 /nfs/dbraw/zinc/76/55/71/386765571.db2.gz IKNWPIRIOVCHPZ-VWYCJHECSA-N 2 1 225.336 0.346 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166224105 386765574 /nfs/dbraw/zinc/76/55/74/386765574.db2.gz IKNWPIRIOVCHPZ-VWYCJHECSA-N 2 1 225.336 0.346 20 30 BCEDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000446756459 388036541 /nfs/dbraw/zinc/03/65/41/388036541.db2.gz IPLLDMSTYDCCBA-XQQFMLRXSA-N 2 1 237.347 0.725 20 30 BCEDMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000446756459 388036544 /nfs/dbraw/zinc/03/65/44/388036544.db2.gz IPLLDMSTYDCCBA-XQQFMLRXSA-N 2 1 237.347 0.725 20 30 BCEDMP C#CCNC(=O)CC[NH2+]CCCn1cc[nH+]c1C ZINC000491385182 388290704 /nfs/dbraw/zinc/29/07/04/388290704.db2.gz QRGXDOUARLCARG-UHFFFAOYSA-N 2 1 248.330 0.311 20 30 BCEDMP C#C[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000491695824 388311855 /nfs/dbraw/zinc/31/18/55/388311855.db2.gz CVLCRSWCEBDKBX-GFCCVEGCSA-N 2 1 208.305 0.320 20 30 BCEDMP N#CCC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000516771068 388516964 /nfs/dbraw/zinc/51/69/64/388516964.db2.gz YGQHSYQZXFQDMC-GFCCVEGCSA-N 2 1 225.336 0.727 20 30 BCEDMP NC(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114849992 134200462 /nfs/dbraw/zinc/20/04/62/134200462.db2.gz PQQXWDCLRAWXRU-GFCCVEGCSA-N 2 1 232.331 0.924 20 30 BCEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1=O ZINC000376001599 134241344 /nfs/dbraw/zinc/24/13/44/134241344.db2.gz VOOCVGQZUMAMMW-FRRDWIJNSA-N 2 1 249.358 0.267 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1=O ZINC000376001599 134241345 /nfs/dbraw/zinc/24/13/45/134241345.db2.gz VOOCVGQZUMAMMW-FRRDWIJNSA-N 2 1 249.358 0.267 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1=O ZINC000376001599 134241346 /nfs/dbraw/zinc/24/13/46/134241346.db2.gz VOOCVGQZUMAMMW-FRRDWIJNSA-N 2 1 249.358 0.267 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCCn1cc[nH+]c1C ZINC000261973003 135113541 /nfs/dbraw/zinc/11/35/41/135113541.db2.gz DTMQKIGPYVYZET-UHFFFAOYSA-N 2 1 221.308 0.672 20 30 BCEDMP CN(C)C(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1 ZINC000262431382 135118727 /nfs/dbraw/zinc/11/87/27/135118727.db2.gz FCQJLHKJCRLQQU-JTQLQIEISA-N 2 1 230.381 0.300 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCCC[N@H+](C)CCOC ZINC000264103912 135133147 /nfs/dbraw/zinc/13/31/47/135133147.db2.gz OWQLBSNNJNHMIY-UHFFFAOYSA-N 2 1 242.367 0.435 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000261531924 135161870 /nfs/dbraw/zinc/16/18/70/135161870.db2.gz IKINYZBCOZMAIR-ZJUUUORDSA-N 2 1 210.325 0.408 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531322 135226548 /nfs/dbraw/zinc/22/65/48/135226548.db2.gz ZPLFQSPKIJEJQM-WDEREUQCSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531322 135226549 /nfs/dbraw/zinc/22/65/49/135226549.db2.gz ZPLFQSPKIJEJQM-WDEREUQCSA-N 2 1 225.336 0.348 20 30 BCEDMP Cc1[nH+]ccn1CCNC(=[NH2+])NCC1CCC1 ZINC000262001028 135271588 /nfs/dbraw/zinc/27/15/88/135271588.db2.gz PSCKNUCBBFKLKX-UHFFFAOYSA-N 2 1 235.335 0.896 20 30 BCEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000262025977 135273889 /nfs/dbraw/zinc/27/38/89/135273889.db2.gz ZJVDNGLNNSNJDS-SNVBAGLBSA-N 2 1 233.319 0.760 20 30 BCEDMP C[NH+]=C(NC1CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262434222 135296891 /nfs/dbraw/zinc/29/68/91/135296891.db2.gz KVZDSVAHKNIPOI-JTQLQIEISA-N 2 1 233.319 0.525 20 30 BCEDMP CC[C@H](C)NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000262466562 135300700 /nfs/dbraw/zinc/30/07/00/135300700.db2.gz YDCJPEYMFNUILS-UWVGGRQHSA-N 2 1 235.335 0.901 20 30 BCEDMP C=C(C)CNC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000262471046 135301356 /nfs/dbraw/zinc/30/13/56/135301356.db2.gz NVPPPVWPDADBSW-JTQLQIEISA-N 2 1 233.319 0.678 20 30 BCEDMP CN(C)C(=[NH+]CC[N@@H+]1CCCOCC1)N(C)C ZINC000262766434 135317293 /nfs/dbraw/zinc/31/72/93/135317293.db2.gz HLEUWBRFINCSDF-UHFFFAOYSA-N 2 1 242.367 0.188 20 30 BCEDMP CN(C)C(=[NH+]CC[N@H+]1CCCOCC1)N(C)C ZINC000262766434 135317295 /nfs/dbraw/zinc/31/72/95/135317295.db2.gz HLEUWBRFINCSDF-UHFFFAOYSA-N 2 1 242.367 0.188 20 30 BCEDMP [NH2+]=C(NCC[NH+]1CCC1)NC1CCCC1 ZINC000262758451 135317612 /nfs/dbraw/zinc/31/76/12/135317612.db2.gz CHFGZWWOZJDXFK-UHFFFAOYSA-N 2 1 210.325 0.539 20 30 BCEDMP C[NH+]=C(N[C@H]1CC[N@@H+](C2CC2)C1)N(C)C ZINC000262818282 135319954 /nfs/dbraw/zinc/31/99/54/135319954.db2.gz SACZKNXCXNAXRU-VIFPVBQESA-N 2 1 210.325 0.360 20 30 BCEDMP C[NH+]=C(N[C@H]1CC[N@H+](C2CC2)C1)N(C)C ZINC000262818282 135319956 /nfs/dbraw/zinc/31/99/56/135319956.db2.gz SACZKNXCXNAXRU-VIFPVBQESA-N 2 1 210.325 0.360 20 30 BCEDMP C=CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685343 398035531 /nfs/dbraw/zinc/03/55/31/398035531.db2.gz XWAWCOCINVBVJK-UHFFFAOYSA-N 2 1 225.336 0.268 20 30 BCEDMP C=CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685343 398035534 /nfs/dbraw/zinc/03/55/34/398035534.db2.gz XWAWCOCINVBVJK-UHFFFAOYSA-N 2 1 225.336 0.268 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404313312 411390698 /nfs/dbraw/zinc/39/06/98/411390698.db2.gz XZQGAAHGXCXFFE-VXGBXAGGSA-N 2 1 239.363 0.738 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404313312 411390701 /nfs/dbraw/zinc/39/07/01/411390701.db2.gz XZQGAAHGXCXFFE-VXGBXAGGSA-N 2 1 239.363 0.738 20 30 BCEDMP C=C[C@H](CO)[NH2+]CCCc1c[nH+]cn1C ZINC000662168351 412016610 /nfs/dbraw/zinc/01/66/10/412016610.db2.gz CHHSXDIDQLMNRV-SNVBAGLBSA-N 2 1 209.293 0.489 20 30 BCEDMP C[C@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CC[N@H+]1C ZINC000353978872 177331830 /nfs/dbraw/zinc/33/18/30/177331830.db2.gz OGQWYPPVMJVPHE-QWRGUYRKSA-N 2 1 248.334 0.222 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245614142 323006847 /nfs/dbraw/zinc/00/68/47/323006847.db2.gz XCNAHPIUUBAOJX-NWDGAFQWSA-N 2 1 239.363 0.609 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245614142 323006848 /nfs/dbraw/zinc/00/68/48/323006848.db2.gz XCNAHPIUUBAOJX-NWDGAFQWSA-N 2 1 239.363 0.609 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245614148 323006927 /nfs/dbraw/zinc/00/69/27/323006927.db2.gz XCNAHPIUUBAOJX-RYUDHWBXSA-N 2 1 239.363 0.609 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245614148 323006928 /nfs/dbraw/zinc/00/69/28/323006928.db2.gz XCNAHPIUUBAOJX-RYUDHWBXSA-N 2 1 239.363 0.609 20 30 BCEDMP C[N@H+](C[C@@H](O)C[NH2+]CC1(CC#N)CC1)C1CC1 ZINC000570325145 323056315 /nfs/dbraw/zinc/05/63/15/323056315.db2.gz NBMPUFKOKWVIPT-LBPRGKRZSA-N 2 1 237.347 0.725 20 30 BCEDMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(CC#N)CC1)C1CC1 ZINC000570325145 323056316 /nfs/dbraw/zinc/05/63/16/323056316.db2.gz NBMPUFKOKWVIPT-LBPRGKRZSA-N 2 1 237.347 0.725 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H]([NH3+])C[C@H]2C)C1=O ZINC000563349503 323120105 /nfs/dbraw/zinc/12/01/05/323120105.db2.gz RTGZPOZMNVVLQC-WOPDTQHZSA-N 2 1 237.347 0.585 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C[C@H]2C)C1=O ZINC000563349503 323120106 /nfs/dbraw/zinc/12/01/06/323120106.db2.gz RTGZPOZMNVVLQC-WOPDTQHZSA-N 2 1 237.347 0.585 20 30 BCEDMP C=CCNC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000263176796 534845435 /nfs/dbraw/zinc/84/54/35/534845435.db2.gz UCOXPSLDQZVITH-UHFFFAOYSA-N 2 1 208.309 0.339 20 30 BCEDMP CCNC(NCC1=CC[N@@H+](C)CC1)=[NH+]CC ZINC000271846551 535786080 /nfs/dbraw/zinc/78/60/80/535786080.db2.gz VCTOXVDVZUHQDI-UHFFFAOYSA-N 2 1 224.352 0.823 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1ccccn1 ZINC000853106486 588720814 /nfs/dbraw/zinc/72/08/14/588720814.db2.gz ALSVNBDIVHOKQA-AWEZNQCLSA-N 2 1 247.342 0.660 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccccn1 ZINC000853106486 588720815 /nfs/dbraw/zinc/72/08/15/588720815.db2.gz ALSVNBDIVHOKQA-AWEZNQCLSA-N 2 1 247.342 0.660 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000855360037 588829183 /nfs/dbraw/zinc/82/91/83/588829183.db2.gz GRZJFKNMCUOQHT-LBPRGKRZSA-N 2 1 239.363 0.657 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC000855638362 588842914 /nfs/dbraw/zinc/84/29/14/588842914.db2.gz DICCMYSFRRPMHA-ZDUSSCGKSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC000855638362 588842915 /nfs/dbraw/zinc/84/29/15/588842915.db2.gz DICCMYSFRRPMHA-ZDUSSCGKSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)COC(C)=O ZINC000894640243 583498134 /nfs/dbraw/zinc/49/81/34/583498134.db2.gz ZZNYCWIUGCLIPD-LLVKDONJSA-N 2 1 226.320 0.483 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)COC(C)=O ZINC000894640243 583498136 /nfs/dbraw/zinc/49/81/36/583498136.db2.gz ZZNYCWIUGCLIPD-LLVKDONJSA-N 2 1 226.320 0.483 20 30 BCEDMP C#CCC[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858388923 588950516 /nfs/dbraw/zinc/95/05/16/588950516.db2.gz LIQFMVPHLDTOST-UHFFFAOYSA-N 2 1 245.326 0.719 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000900306476 584293387 /nfs/dbraw/zinc/29/33/87/584293387.db2.gz RKKDTAFLHZCGMB-LBPRGKRZSA-N 2 1 239.363 0.562 20 30 BCEDMP C#CCC[NH+]1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000900473221 584313752 /nfs/dbraw/zinc/31/37/52/584313752.db2.gz CNYPOJHIMFWPTB-UHFFFAOYSA-N 2 1 246.314 0.120 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@H+](C)C(C)C ZINC000900699827 584342694 /nfs/dbraw/zinc/34/26/94/584342694.db2.gz MRFBDJYYQHWATM-UHFFFAOYSA-N 2 1 241.379 0.951 20 30 BCEDMP C=CCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493144 584781116 /nfs/dbraw/zinc/78/11/16/584781116.db2.gz VKLNSQNZGMSAME-LOWVWBTDSA-N 2 1 238.331 0.775 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000730276039 584898227 /nfs/dbraw/zinc/89/82/27/584898227.db2.gz FKVZNHJIVTYOOY-RYUDHWBXSA-N 2 1 237.347 0.150 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000730276039 584898228 /nfs/dbraw/zinc/89/82/28/584898228.db2.gz FKVZNHJIVTYOOY-RYUDHWBXSA-N 2 1 237.347 0.150 20 30 BCEDMP C#C[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000838936767 585081701 /nfs/dbraw/zinc/08/17/01/585081701.db2.gz OBQXLFSTAIAZRY-STQMWFEESA-N 2 1 233.315 0.733 20 30 BCEDMP C#CCC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000808781208 586489373 /nfs/dbraw/zinc/48/93/73/586489373.db2.gz AKAGDKAHTCGCPS-UHFFFAOYSA-N 2 1 225.380 0.825 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](C)[NH+](C)C ZINC000818593020 586904078 /nfs/dbraw/zinc/90/40/78/586904078.db2.gz HWAJHRYBYOIDKH-NSHDSACASA-N 2 1 225.336 0.008 20 30 BCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000819022368 586924125 /nfs/dbraw/zinc/92/41/25/586924125.db2.gz KSMLQXBENFKYKX-CYBMUJFWSA-N 2 1 224.348 0.997 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](C)[NH+](C)C ZINC000823187547 587207476 /nfs/dbraw/zinc/20/74/76/587207476.db2.gz HWAJHRYBYOIDKH-LLVKDONJSA-N 2 1 225.336 0.008 20 30 BCEDMP C#CCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830646870 587562394 /nfs/dbraw/zinc/56/23/94/587562394.db2.gz ANVGPKSIMFOGSJ-UHFFFAOYSA-N 2 1 222.332 0.806 20 30 BCEDMP C#CC1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000847012903 588301552 /nfs/dbraw/zinc/30/15/52/588301552.db2.gz SRSNWJMFRNMGLY-CYBMUJFWSA-N 2 1 224.348 0.644 20 30 BCEDMP CC[N@H+]1CC[C@H](CNC(NC2CC2)=[NH+]C)C1 ZINC000848992573 588427686 /nfs/dbraw/zinc/42/76/86/588427686.db2.gz JSTIEPLRXONIAV-SNVBAGLBSA-N 2 1 224.352 0.656 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000849005286 588432088 /nfs/dbraw/zinc/43/20/88/588432088.db2.gz KFCRMJLEBIDKFJ-JTQLQIEISA-N 2 1 210.325 0.628 20 30 BCEDMP CNC(NCCC[N@H+]1CCCO[C@@H](C)C1)=[NH+]C ZINC000849022562 588439471 /nfs/dbraw/zinc/43/94/71/588439471.db2.gz JHLUCHGJRTULSN-NSHDSACASA-N 2 1 242.367 0.282 20 30 BCEDMP C[C@@H]1C[NH+]=C(NCCCC[N@@H+](C)C2CC2)N1 ZINC000849039722 588447047 /nfs/dbraw/zinc/44/70/47/588447047.db2.gz PBUWLUKUDYWMIX-SNVBAGLBSA-N 2 1 224.352 0.798 20 30 BCEDMP C#CCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852706780 588696918 /nfs/dbraw/zinc/69/69/18/588696918.db2.gz AGBQBYCBQUJEKT-AWEZNQCLSA-N 2 1 236.359 0.931 20 30 BCEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCC(C)C)C1 ZINC000203020564 589208928 /nfs/dbraw/zinc/20/89/28/589208928.db2.gz KCTYDXBPBBOODC-NSHDSACASA-N 2 1 226.368 0.889 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000120485190 589421538 /nfs/dbraw/zinc/42/15/38/589421538.db2.gz ZNMVZNNWAJVVMX-JTQLQIEISA-N 2 1 212.341 0.783 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872209184 589893596 /nfs/dbraw/zinc/89/35/96/589893596.db2.gz MQCXXDDZAIZAMT-GFCCVEGCSA-N 2 1 242.363 0.053 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872209184 589893597 /nfs/dbraw/zinc/89/35/97/589893597.db2.gz MQCXXDDZAIZAMT-GFCCVEGCSA-N 2 1 242.363 0.053 20 30 BCEDMP C[C@@H](CNC(=[NH2+])NC1CC1)C[NH+]1CCOCC1 ZINC000127253098 590601571 /nfs/dbraw/zinc/60/15/71/590601571.db2.gz LABFTIIRTUKWDF-JTQLQIEISA-N 2 1 240.351 0.021 20 30 BCEDMP C#CCC[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000878865542 590634757 /nfs/dbraw/zinc/63/47/57/590634757.db2.gz JSMGVZNWCIBJTF-LBPRGKRZSA-N 2 1 210.321 0.398 20 30 BCEDMP C#CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865542 590634760 /nfs/dbraw/zinc/63/47/60/590634760.db2.gz JSMGVZNWCIBJTF-LBPRGKRZSA-N 2 1 210.321 0.398 20 30 BCEDMP C#CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865542 590634762 /nfs/dbraw/zinc/63/47/62/590634762.db2.gz JSMGVZNWCIBJTF-LBPRGKRZSA-N 2 1 210.321 0.398 20 30 BCEDMP COCC#CCN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880137768 590940773 /nfs/dbraw/zinc/94/07/73/590940773.db2.gz KNBMGMOWSNAQMX-QWHCGFSZSA-N 2 1 222.332 0.805 20 30 BCEDMP C#CC[C@H]1CC[N@H+](C[C@H](O)CN(C)CC)C1 ZINC000886365673 592219573 /nfs/dbraw/zinc/21/95/73/592219573.db2.gz NLERMPOECYEUIK-QWHCGFSZSA-N 2 1 224.348 0.644 20 30 BCEDMP C#CC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000886365673 592219574 /nfs/dbraw/zinc/21/95/74/592219574.db2.gz NLERMPOECYEUIK-QWHCGFSZSA-N 2 1 224.348 0.644 20 30 BCEDMP C#CC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000886365673 592219576 /nfs/dbraw/zinc/21/95/76/592219576.db2.gz NLERMPOECYEUIK-QWHCGFSZSA-N 2 1 224.348 0.644 20 30 BCEDMP C[C@@H](C#N)OCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436109 634450749 /nfs/dbraw/zinc/45/07/49/634450749.db2.gz GAODGDGVGNPHNT-RWMBFGLXSA-N 2 1 237.347 0.799 20 30 BCEDMP C[C@@H](C#N)OCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436109 634450760 /nfs/dbraw/zinc/45/07/60/634450760.db2.gz GAODGDGVGNPHNT-RWMBFGLXSA-N 2 1 237.347 0.799 20 30 BCEDMP C[C@@H](C#N)OCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436109 634450766 /nfs/dbraw/zinc/45/07/66/634450766.db2.gz GAODGDGVGNPHNT-RWMBFGLXSA-N 2 1 237.347 0.799 20 30 BCEDMP C[C@H]1C[C@@H]1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104174133 634568625 /nfs/dbraw/zinc/56/86/25/634568625.db2.gz GQEQNASLCUKODR-QWRGUYRKSA-N 2 1 240.351 0.021 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001022714972 631812207 /nfs/dbraw/zinc/81/22/07/631812207.db2.gz BDUVJMJHQDGDBY-UPJWGTAASA-N 2 1 249.358 0.198 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001022714971 631812529 /nfs/dbraw/zinc/81/25/29/631812529.db2.gz BDUVJMJHQDGDBY-RWMBFGLXSA-N 2 1 249.358 0.198 20 30 BCEDMP C[C@@H](C#N)OCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000310470334 632746725 /nfs/dbraw/zinc/74/67/25/632746725.db2.gz BFESOJXLANHNJE-QWHCGFSZSA-N 2 1 237.347 0.943 20 30 BCEDMP C[C@@H](C#N)OCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000310470334 632746728 /nfs/dbraw/zinc/74/67/28/632746728.db2.gz BFESOJXLANHNJE-QWHCGFSZSA-N 2 1 237.347 0.943 20 30 BCEDMP C[C@@H](C#N)OCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000310470334 632746731 /nfs/dbraw/zinc/74/67/31/632746731.db2.gz BFESOJXLANHNJE-QWHCGFSZSA-N 2 1 237.347 0.943 20 30 BCEDMP C[C@@H](C#N)OCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000310470334 632746735 /nfs/dbraw/zinc/74/67/35/632746735.db2.gz BFESOJXLANHNJE-QWHCGFSZSA-N 2 1 237.347 0.943 20 30 BCEDMP COCC[N@@H+](C)CCCNC(=[NH2+])NC1CC1 ZINC000066245516 632861261 /nfs/dbraw/zinc/86/12/61/632861261.db2.gz WGNAWKXHAFFWKF-UHFFFAOYSA-N 2 1 228.340 0.021 20 30 BCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])N(C)C)C1 ZINC000170907950 633176497 /nfs/dbraw/zinc/17/64/97/633176497.db2.gz PSOXCOBEEUDABS-LLVKDONJSA-N 2 1 242.367 0.220 20 30 BCEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179892 636052455 /nfs/dbraw/zinc/05/24/55/636052455.db2.gz HMUICSVMCHRAQM-SNVBAGLBSA-N 2 1 245.754 0.526 20 30 BCEDMP CCNC(NCC[N@@H+](C)C(C)C)=[NH+]CC ZINC000066246559 636120241 /nfs/dbraw/zinc/12/02/41/636120241.db2.gz ZVCDOMLOJXXLLM-UHFFFAOYSA-N 2 1 214.357 0.902 20 30 BCEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])N(C)C1CC1 ZINC000181474486 633915992 /nfs/dbraw/zinc/91/59/92/633915992.db2.gz FMTXTMCDLRQXQQ-UHFFFAOYSA-N 2 1 212.341 0.736 20 30 BCEDMP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000320282597 636203248 /nfs/dbraw/zinc/20/32/48/636203248.db2.gz OFQPEURRKSCAPT-LBPRGKRZSA-N 2 1 212.337 0.997 20 30 BCEDMP CC[N@H+]1CCCC[C@H]1CNC(NC)=[NH+]C ZINC000304038831 636321406 /nfs/dbraw/zinc/32/14/06/636321406.db2.gz IDLDXTZFPXFFJR-JTQLQIEISA-N 2 1 212.341 0.656 20 30 BCEDMP CN1CC[NH+]=C1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000262668837 636441798 /nfs/dbraw/zinc/44/17/98/636441798.db2.gz PYXHLEJJXSHBNW-LLVKDONJSA-N 2 1 238.379 0.998 20 30 BCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000729527555 636817017 /nfs/dbraw/zinc/81/70/17/636817017.db2.gz PVVMPMALCZKBFJ-ZDUSSCGKSA-N 2 1 249.358 0.106 20 30 BCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000729527555 636817021 /nfs/dbraw/zinc/81/70/21/636817021.db2.gz PVVMPMALCZKBFJ-ZDUSSCGKSA-N 2 1 249.358 0.106 20 30 BCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989661896 636870043 /nfs/dbraw/zinc/87/00/43/636870043.db2.gz NOLNFYCHNHJPML-CYBMUJFWSA-N 2 1 249.358 0.106 20 30 BCEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989661896 636870047 /nfs/dbraw/zinc/87/00/47/636870047.db2.gz NOLNFYCHNHJPML-CYBMUJFWSA-N 2 1 249.358 0.106 20 30 BCEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989661896 636870048 /nfs/dbraw/zinc/87/00/48/636870048.db2.gz NOLNFYCHNHJPML-CYBMUJFWSA-N 2 1 249.358 0.106 20 30 BCEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000989661896 636870051 /nfs/dbraw/zinc/87/00/51/636870051.db2.gz NOLNFYCHNHJPML-CYBMUJFWSA-N 2 1 249.358 0.106 20 30 BCEDMP C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905449137 637810330 /nfs/dbraw/zinc/81/03/30/637810330.db2.gz CTYIBORUTIKZLX-DGCLKSJQSA-N 2 1 242.363 0.358 20 30 BCEDMP C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000905449137 637810334 /nfs/dbraw/zinc/81/03/34/637810334.db2.gz CTYIBORUTIKZLX-DGCLKSJQSA-N 2 1 242.363 0.358 20 30 BCEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC#N)C[C@@H]2C1 ZINC000931436595 640200733 /nfs/dbraw/zinc/20/07/33/640200733.db2.gz IXUMQTJWNKTDSK-GRYCIOLGSA-N 2 1 223.320 0.144 20 30 BCEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CC#N)C[C@@H]2C1 ZINC000931436595 640200737 /nfs/dbraw/zinc/20/07/37/640200737.db2.gz IXUMQTJWNKTDSK-GRYCIOLGSA-N 2 1 223.320 0.144 20 30 BCEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CC#N)C[C@@H]2C1 ZINC000931436595 640200739 /nfs/dbraw/zinc/20/07/39/640200739.db2.gz IXUMQTJWNKTDSK-GRYCIOLGSA-N 2 1 223.320 0.144 20 30 BCEDMP C=C(C)[C@@H](CO)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931439813 640206810 /nfs/dbraw/zinc/20/68/10/640206810.db2.gz OLKYEYQWVKFZEF-FRRDWIJNSA-N 2 1 224.348 0.807 20 30 BCEDMP C=C(C)[C@@H](CO)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439813 640206811 /nfs/dbraw/zinc/20/68/11/640206811.db2.gz OLKYEYQWVKFZEF-FRRDWIJNSA-N 2 1 224.348 0.807 20 30 BCEDMP C=C(C)[C@@H](CO)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439813 640206813 /nfs/dbraw/zinc/20/68/13/640206813.db2.gz OLKYEYQWVKFZEF-FRRDWIJNSA-N 2 1 224.348 0.807 20 30 BCEDMP C=CC[C@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000934463072 641154759 /nfs/dbraw/zinc/15/47/59/641154759.db2.gz FKKJHUMBAQCPBG-RYUDHWBXSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CC[C@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000934463072 641154764 /nfs/dbraw/zinc/15/47/64/641154764.db2.gz FKKJHUMBAQCPBG-RYUDHWBXSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000934463072 641154766 /nfs/dbraw/zinc/15/47/66/641154766.db2.gz FKKJHUMBAQCPBG-RYUDHWBXSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000934463072 641154771 /nfs/dbraw/zinc/15/47/71/641154771.db2.gz FKKJHUMBAQCPBG-RYUDHWBXSA-N 2 1 212.337 0.949 20 30 BCEDMP C#CCN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014954111 641212755 /nfs/dbraw/zinc/21/27/55/641212755.db2.gz JNJSBAFMJLGMIK-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCN1CC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001014954111 641212761 /nfs/dbraw/zinc/21/27/61/641212761.db2.gz JNJSBAFMJLGMIK-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031577700 642332856 /nfs/dbraw/zinc/33/28/56/642332856.db2.gz OJFZFUBJRCTVHH-GFCCVEGCSA-N 2 1 237.347 0.315 20 30 BCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031584688 642335771 /nfs/dbraw/zinc/33/57/71/642335771.db2.gz HLBALSGBPYJJAO-CYBMUJFWSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031584688 642335780 /nfs/dbraw/zinc/33/57/80/642335780.db2.gz HLBALSGBPYJJAO-CYBMUJFWSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031585152 642338498 /nfs/dbraw/zinc/33/84/98/642338498.db2.gz QSYJASZJXLSVJV-ZDUSSCGKSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000933297221 642510854 /nfs/dbraw/zinc/51/08/54/642510854.db2.gz ZRKNIVHGWCVUOP-ZDUSSCGKSA-N 2 1 236.359 0.977 20 30 BCEDMP C#CCC1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000933297221 642510862 /nfs/dbraw/zinc/51/08/62/642510862.db2.gz ZRKNIVHGWCVUOP-ZDUSSCGKSA-N 2 1 236.359 0.977 20 30 BCEDMP C[C@H](CNC(=[NH2+])N(C)C1CC1)[N@@H+](C)C1CC1 ZINC000305797700 642698227 /nfs/dbraw/zinc/69/82/27/642698227.db2.gz BKEOSBCOVAOKSR-SECBINFHSA-N 2 1 224.352 0.878 20 30 BCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014491643 642889499 /nfs/dbraw/zinc/88/94/99/642889499.db2.gz JZMTYMMTFSQACJ-JHJVBQTASA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014491643 642889503 /nfs/dbraw/zinc/88/95/03/642889503.db2.gz JZMTYMMTFSQACJ-JHJVBQTASA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014491643 642889510 /nfs/dbraw/zinc/88/95/10/642889510.db2.gz JZMTYMMTFSQACJ-JHJVBQTASA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014491643 642889515 /nfs/dbraw/zinc/88/95/15/642889515.db2.gz JZMTYMMTFSQACJ-JHJVBQTASA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015995435 642943877 /nfs/dbraw/zinc/94/38/77/642943877.db2.gz VBTRMJHBKSOJDE-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015995435 642943895 /nfs/dbraw/zinc/94/38/95/642943895.db2.gz VBTRMJHBKSOJDE-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015995435 642943902 /nfs/dbraw/zinc/94/39/02/642943902.db2.gz VBTRMJHBKSOJDE-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001016258233 642952206 /nfs/dbraw/zinc/95/22/06/642952206.db2.gz DOPBGRFWMUWFRY-GFCCVEGCSA-N 2 1 248.330 0.568 20 30 BCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016258233 642952217 /nfs/dbraw/zinc/95/22/17/642952217.db2.gz DOPBGRFWMUWFRY-GFCCVEGCSA-N 2 1 248.330 0.568 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001018866101 643013794 /nfs/dbraw/zinc/01/37/94/643013794.db2.gz SCTHVFUNFQTCPC-FRRDWIJNSA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969380331 643157639 /nfs/dbraw/zinc/15/76/39/643157639.db2.gz DBDMTJJUKXTLOL-DGCLKSJQSA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000969380331 643157648 /nfs/dbraw/zinc/15/76/48/643157648.db2.gz DBDMTJJUKXTLOL-DGCLKSJQSA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020591173 643222063 /nfs/dbraw/zinc/22/20/63/643222063.db2.gz GMSNGWUBBBMTLZ-CYDGBPFRSA-N 2 1 249.358 0.054 20 30 BCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000969960735 643255183 /nfs/dbraw/zinc/25/51/83/643255183.db2.gz VLQAHVLQZPJDFY-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998554913 643712797 /nfs/dbraw/zinc/71/27/97/643712797.db2.gz BUGSADGQEZPPDX-WXRRBKDZSA-N 2 1 249.358 0.293 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923332310 644352798 /nfs/dbraw/zinc/35/27/98/644352798.db2.gz KXVDLGHCKBKGAY-RVMXOQNASA-N 2 1 224.348 0.983 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331768 644360880 /nfs/dbraw/zinc/36/08/80/644360880.db2.gz ICOQCNZZCFCRBG-CHWSQXEVSA-N 2 1 224.348 0.999 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923332014 644361058 /nfs/dbraw/zinc/36/10/58/644361058.db2.gz NSOPEIWRLDJERX-WOPDTQHZSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+](C)CCC[NH2+]C ZINC000923377861 644391603 /nfs/dbraw/zinc/39/16/03/644391603.db2.gz QPFPENIOLKSXHN-LLVKDONJSA-N 2 1 200.326 0.855 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923378972 644392404 /nfs/dbraw/zinc/39/24/04/644392404.db2.gz MFMHEUQWKKMUJT-NWDGAFQWSA-N 2 1 228.336 0.363 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923499126 644472528 /nfs/dbraw/zinc/47/25/28/644472528.db2.gz KCRVIUVPJWKTPH-SDDRHHMPSA-N 2 1 239.363 0.594 20 30 BCEDMP C#C[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000248532989 644685700 /nfs/dbraw/zinc/68/57/00/644685700.db2.gz IDZXVIBLFATDAW-MNOVXSKESA-N 2 1 222.336 0.397 20 30 BCEDMP COCC[N@@H+](C)CCCNC(=[NH2+])NC(C)C ZINC000303899264 644855511 /nfs/dbraw/zinc/85/55/11/644855511.db2.gz RMEVRAYPUNAAOV-UHFFFAOYSA-N 2 1 230.356 0.267 20 30 BCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC(C)C ZINC000303977056 644863356 /nfs/dbraw/zinc/86/33/56/644863356.db2.gz KUHKERTXXQPZPP-LLVKDONJSA-N 2 1 242.367 0.410 20 30 BCEDMP CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000304762075 644931053 /nfs/dbraw/zinc/93/10/53/644931053.db2.gz VGVKPAMTKAUHOO-LLVKDONJSA-N 2 1 226.368 0.985 20 30 BCEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000304762076 644931504 /nfs/dbraw/zinc/93/15/04/644931504.db2.gz VGVKPAMTKAUHOO-NSHDSACASA-N 2 1 226.368 0.985 20 30 BCEDMP C#CC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000830316055 645118772 /nfs/dbraw/zinc/11/87/72/645118772.db2.gz CLUBIQFBLRXUMC-AWEZNQCLSA-N 2 1 236.359 0.788 20 30 BCEDMP CNC(NC[C@H]1[N@@H+](C)CCCC1(C)C)=[NH+]C ZINC000849023764 645446577 /nfs/dbraw/zinc/44/65/77/645446577.db2.gz DNIKLIRVRIRZFZ-SNVBAGLBSA-N 2 1 226.368 0.902 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928550759 645805408 /nfs/dbraw/zinc/80/54/08/645805408.db2.gz IQROFDSBEJWCQE-NSHDSACASA-N 2 1 225.336 0.315 20 30 BCEDMP C=CC[C@H](CO)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925630906 646369008 /nfs/dbraw/zinc/36/90/08/646369008.db2.gz SJCBXCJIDLYNMT-QWRGUYRKSA-N 2 1 212.337 0.901 20 30 BCEDMP C=CC[C@@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925647903 646390372 /nfs/dbraw/zinc/39/03/72/646390372.db2.gz KCBCYQPUIHKUIL-QWRGUYRKSA-N 2 1 210.321 0.798 20 30 BCEDMP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2[NH3+])nc1 ZINC000925892986 646535422 /nfs/dbraw/zinc/53/54/22/646535422.db2.gz JDSIQJGNYYGXCI-NWDGAFQWSA-N 2 1 245.330 0.835 20 30 BCEDMP C#CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000717841874 712691924 /nfs/dbraw/zinc/69/19/24/712691924.db2.gz XGDWIUYPPZRWIR-ODWCKFRGSA-N 2 1 222.332 0.585 20 30 BCEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039026825 710718045 /nfs/dbraw/zinc/71/80/45/710718045.db2.gz IJHYREIYSHCNQL-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039026825 710718047 /nfs/dbraw/zinc/71/80/47/710718047.db2.gz IJHYREIYSHCNQL-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039026825 710718050 /nfs/dbraw/zinc/71/80/50/710718050.db2.gz IJHYREIYSHCNQL-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044291866 710822959 /nfs/dbraw/zinc/82/29/59/710822959.db2.gz GJLRNAGWWRYPQN-GFCCVEGCSA-N 2 1 249.358 0.104 20 30 BCEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044291866 710822963 /nfs/dbraw/zinc/82/29/63/710822963.db2.gz GJLRNAGWWRYPQN-GFCCVEGCSA-N 2 1 249.358 0.104 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723712141 711535979 /nfs/dbraw/zinc/53/59/79/711535979.db2.gz NCIFSAPQVMSETE-MNOVXSKESA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723861806 711539777 /nfs/dbraw/zinc/53/97/77/711539777.db2.gz FIMHDLIRHYVAFS-GMTAPVOTSA-N 2 1 225.336 0.204 20 30 BCEDMP C#CCSCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309202842 711695345 /nfs/dbraw/zinc/69/53/45/711695345.db2.gz AQKMZMPJWMKLMJ-GFCCVEGCSA-N 2 1 242.388 0.398 20 30 BCEDMP C#CCSCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309202842 711695346 /nfs/dbraw/zinc/69/53/46/711695346.db2.gz AQKMZMPJWMKLMJ-GFCCVEGCSA-N 2 1 242.388 0.398 20 30 BCEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])N(C)C)C1 ZINC000170912027 711837918 /nfs/dbraw/zinc/83/79/18/711837918.db2.gz MBOGDJNUCKJKAN-LLVKDONJSA-N 2 1 226.368 0.983 20 30 BCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001033456774 711992504 /nfs/dbraw/zinc/99/25/04/711992504.db2.gz ANRHTMUJGJBYDI-LBPRGKRZSA-N 2 1 248.330 0.671 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664087 712010560 /nfs/dbraw/zinc/01/05/60/712010560.db2.gz CBGBRHFVDWQKGM-CYBMUJFWSA-N 2 1 249.358 0.248 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664087 712010561 /nfs/dbraw/zinc/01/05/61/712010561.db2.gz CBGBRHFVDWQKGM-CYBMUJFWSA-N 2 1 249.358 0.248 20 30 BCEDMP C[C@H](C#N)OCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702477846 712054371 /nfs/dbraw/zinc/05/43/71/712054371.db2.gz CUTQWATVPXKEKK-FRRDWIJNSA-N 2 1 237.347 0.799 20 30 BCEDMP C[C@H](C#N)OCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702477846 712054373 /nfs/dbraw/zinc/05/43/73/712054373.db2.gz CUTQWATVPXKEKK-FRRDWIJNSA-N 2 1 237.347 0.799 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702477846 712054375 /nfs/dbraw/zinc/05/43/75/712054375.db2.gz CUTQWATVPXKEKK-FRRDWIJNSA-N 2 1 237.347 0.799 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702477846 712054377 /nfs/dbraw/zinc/05/43/77/712054377.db2.gz CUTQWATVPXKEKK-FRRDWIJNSA-N 2 1 237.347 0.799 20 30 BCEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000705374002 712130790 /nfs/dbraw/zinc/13/07/90/712130790.db2.gz FXMDJBDOMOPKJS-AAEUAGOBSA-N 2 1 239.363 0.971 20 30 BCEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000705374002 712130792 /nfs/dbraw/zinc/13/07/92/712130792.db2.gz FXMDJBDOMOPKJS-AAEUAGOBSA-N 2 1 239.363 0.971 20 30 BCEDMP C#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000809640688 712584878 /nfs/dbraw/zinc/58/48/78/712584878.db2.gz JELYBEDYXPXTPM-HNNXBMFYSA-N 2 1 244.338 0.824 20 30 BCEDMP C#Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000809640688 712584879 /nfs/dbraw/zinc/58/48/79/712584879.db2.gz JELYBEDYXPXTPM-HNNXBMFYSA-N 2 1 244.338 0.824 20 30 BCEDMP C=CCNC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000264095976 136281366 /nfs/dbraw/zinc/28/13/66/136281366.db2.gz MQHHHMQWDNEVRI-NSHDSACASA-N 2 1 224.352 0.809 20 30 BCEDMP C[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600713572 344362068 /nfs/dbraw/zinc/36/20/68/344362068.db2.gz CHYUKRFPYACSIB-GFCCVEGCSA-N 2 1 237.347 0.725 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)C1=O ZINC000580327433 347151320 /nfs/dbraw/zinc/15/13/20/347151320.db2.gz LRZFRTBHVTZEGM-TUAOUCFPSA-N 2 1 237.347 0.442 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623487259 362911792 /nfs/dbraw/zinc/91/17/92/362911792.db2.gz YXBYUCBPMLWXIF-LLVKDONJSA-N 2 1 239.363 0.751 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623487259 362911797 /nfs/dbraw/zinc/91/17/97/362911797.db2.gz YXBYUCBPMLWXIF-LLVKDONJSA-N 2 1 239.363 0.751 20 30 BCEDMP C[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598715089 349026107 /nfs/dbraw/zinc/02/61/07/349026107.db2.gz MNTAYQGVDCXOSD-GFCCVEGCSA-N 2 1 239.363 0.971 20 30 BCEDMP CC(C)[N@H+]1CCC[C@H](CNC2=[NH+]CCN2C)C1 ZINC000262687414 535168412 /nfs/dbraw/zinc/16/84/12/535168412.db2.gz YYEQABWYVRYOEI-GFCCVEGCSA-N 2 1 238.379 0.998 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000251321847 353283233 /nfs/dbraw/zinc/28/32/33/353283233.db2.gz MIVGDSLTJXYQQU-NEPJUHHUSA-N 2 1 241.379 0.982 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000251321847 353283235 /nfs/dbraw/zinc/28/32/35/353283235.db2.gz MIVGDSLTJXYQQU-NEPJUHHUSA-N 2 1 241.379 0.982 20 30 BCEDMP C=CCCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000071276176 359075583 /nfs/dbraw/zinc/07/55/83/359075583.db2.gz PLYXKPRCNMHBMF-GFCCVEGCSA-N 2 1 239.363 0.740 20 30 BCEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436057113 201308706 /nfs/dbraw/zinc/30/87/06/201308706.db2.gz UVVZPNAODJKVNM-LLVKDONJSA-N 2 1 225.336 0.492 20 30 BCEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436057114 201309497 /nfs/dbraw/zinc/30/94/97/201309497.db2.gz UVVZPNAODJKVNM-NSHDSACASA-N 2 1 225.336 0.492 20 30 BCEDMP C#CC[NH+](C)CCCN[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000382047706 367482158 /nfs/dbraw/zinc/48/21/58/367482158.db2.gz CKEBEVRSELNVCA-QWHCGFSZSA-N 2 1 223.364 0.481 20 30 BCEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000382047706 367482162 /nfs/dbraw/zinc/48/21/62/367482162.db2.gz CKEBEVRSELNVCA-QWHCGFSZSA-N 2 1 223.364 0.481 20 30 BCEDMP C#CC[N@H+](C)CCCN[C@@H]1C[NH+](C)C[C@@H]1C ZINC000382047706 367482164 /nfs/dbraw/zinc/48/21/64/367482164.db2.gz CKEBEVRSELNVCA-QWHCGFSZSA-N 2 1 223.364 0.481 20 30 BCEDMP C#CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000262270314 532988489 /nfs/dbraw/zinc/98/84/89/532988489.db2.gz KIVFNYWAOJMASK-SNVBAGLBSA-N 2 1 208.309 0.008 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069626844 384246965 /nfs/dbraw/zinc/24/69/65/384246965.db2.gz HUDMRRVTIVKKFA-GHMZBOCLSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069626844 384246969 /nfs/dbraw/zinc/24/69/69/384246969.db2.gz HUDMRRVTIVKKFA-GHMZBOCLSA-N 2 1 225.336 0.348 20 30 BCEDMP C#CCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000371203612 533053601 /nfs/dbraw/zinc/05/36/01/533053601.db2.gz CBIDRPZBGPKMEL-AWEZNQCLSA-N 2 1 235.375 0.722 20 30 BCEDMP C#CCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000371203612 533053606 /nfs/dbraw/zinc/05/36/06/533053606.db2.gz CBIDRPZBGPKMEL-AWEZNQCLSA-N 2 1 235.375 0.722 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCC[N@H+](CC)C1CC1 ZINC000104191646 384811661 /nfs/dbraw/zinc/81/16/61/384811661.db2.gz XPKXIKWDFYWSCY-UHFFFAOYSA-N 2 1 224.352 0.951 20 30 BCEDMP CC[C@H](CC#N)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000564465334 384870887 /nfs/dbraw/zinc/87/08/87/384870887.db2.gz LDNUUHTZBGSLTM-ZYHUDNBSSA-N 2 1 225.336 0.723 20 30 BCEDMP C#CCNC(NC[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]CC ZINC000262643951 533142899 /nfs/dbraw/zinc/14/28/99/533142899.db2.gz QMRWJJPGAVRDAQ-LBPRGKRZSA-N 2 1 248.374 0.659 20 30 BCEDMP C#CCNC(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)=[NH+]CC ZINC000261743742 533143141 /nfs/dbraw/zinc/14/31/41/533143141.db2.gz KXHKSVIPVPABDE-DGCLKSJQSA-N 2 1 248.374 0.657 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000647830501 385871950 /nfs/dbraw/zinc/87/19/50/385871950.db2.gz LZYGGTXMJUOZGG-GHMZBOCLSA-N 2 1 223.320 0.054 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000647830501 385871957 /nfs/dbraw/zinc/87/19/57/385871957.db2.gz LZYGGTXMJUOZGG-GHMZBOCLSA-N 2 1 223.320 0.054 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000519607218 386502818 /nfs/dbraw/zinc/50/28/18/386502818.db2.gz PMDBYYQOTWCZET-SRVKXCTJSA-N 2 1 237.347 0.442 20 30 BCEDMP COC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000279987434 386766258 /nfs/dbraw/zinc/76/62/58/386766258.db2.gz LIKAJSLLSBRTER-LLVKDONJSA-N 2 1 240.351 0.188 20 30 BCEDMP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000279987434 386766262 /nfs/dbraw/zinc/76/62/62/386766262.db2.gz LIKAJSLLSBRTER-LLVKDONJSA-N 2 1 240.351 0.188 20 30 BCEDMP C#CCC[NH+]1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000265686454 387397533 /nfs/dbraw/zinc/39/75/33/387397533.db2.gz XICLSBNPLONDJF-VOTSOKGWSA-N 2 1 249.358 0.272 20 30 BCEDMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)CC#N)C1CC1 ZINC000515637587 387404627 /nfs/dbraw/zinc/40/46/27/387404627.db2.gz AQFFAKGVBQUAPK-GFCCVEGCSA-N 2 1 239.363 0.971 20 30 BCEDMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)CC#N)C1CC1 ZINC000515637587 387404630 /nfs/dbraw/zinc/40/46/30/387404630.db2.gz AQFFAKGVBQUAPK-GFCCVEGCSA-N 2 1 239.363 0.971 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362075064 387568750 /nfs/dbraw/zinc/56/87/50/387568750.db2.gz CGPKROBTJWRGMI-KGLIPLIRSA-N 2 1 235.375 0.577 20 30 BCEDMP C#CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362075064 387568753 /nfs/dbraw/zinc/56/87/53/387568753.db2.gz CGPKROBTJWRGMI-KGLIPLIRSA-N 2 1 235.375 0.577 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=O)/C=C\C[NH+](C)C ZINC000491349513 388287371 /nfs/dbraw/zinc/28/73/71/388287371.db2.gz ISBFORFLVUKKLJ-VURMDHGXSA-N 2 1 237.347 0.176 20 30 BCEDMP C#CCN(C[C@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000491385916 388290904 /nfs/dbraw/zinc/29/09/04/388290904.db2.gz STQASXBLCVOBDT-CYBMUJFWSA-N 2 1 240.347 0.023 20 30 BCEDMP C#CC[N@@H+](C[C@H](O)CN(C)CCOC)C1CC1 ZINC000491385916 388290906 /nfs/dbraw/zinc/29/09/06/388290906.db2.gz STQASXBLCVOBDT-CYBMUJFWSA-N 2 1 240.347 0.023 20 30 BCEDMP C#CC[N@H+](C[C@H](O)CN(C)CCOC)C1CC1 ZINC000491385916 388290908 /nfs/dbraw/zinc/29/09/08/388290908.db2.gz STQASXBLCVOBDT-CYBMUJFWSA-N 2 1 240.347 0.023 20 30 BCEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)CCOC ZINC000573016502 388406453 /nfs/dbraw/zinc/40/64/53/388406453.db2.gz TWAFCADGFSAZFS-NSHDSACASA-N 2 1 216.325 0.043 20 30 BCEDMP C=CC[N@H+](C)C[C@H](O)CN(C)CCOC ZINC000573016502 388406454 /nfs/dbraw/zinc/40/64/54/388406454.db2.gz TWAFCADGFSAZFS-NSHDSACASA-N 2 1 216.325 0.043 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000328175974 388581157 /nfs/dbraw/zinc/58/11/57/388581157.db2.gz LVTFYERYENLIJG-VXGBXAGGSA-N 2 1 210.321 0.709 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000328175974 388581158 /nfs/dbraw/zinc/58/11/58/388581158.db2.gz LVTFYERYENLIJG-VXGBXAGGSA-N 2 1 210.321 0.709 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)COCC ZINC000328180609 388581846 /nfs/dbraw/zinc/58/18/46/388581846.db2.gz NDBOOCSIDGFFGO-GFCCVEGCSA-N 2 1 212.337 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)COCC ZINC000328180609 388581847 /nfs/dbraw/zinc/58/18/47/388581847.db2.gz NDBOOCSIDGFFGO-GFCCVEGCSA-N 2 1 212.337 0.956 20 30 BCEDMP C#CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129813051 388871999 /nfs/dbraw/zinc/87/19/99/388871999.db2.gz DEMGACRYFKBCEI-UHFFFAOYSA-N 2 1 209.337 0.189 20 30 BCEDMP C#C[C@H](CC)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000262546618 533299370 /nfs/dbraw/zinc/29/93/70/533299370.db2.gz STOTUXZIRRWNMM-VXGBXAGGSA-N 2 1 236.363 0.787 20 30 BCEDMP CN(C)C(=[NH+]C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000104172208 134159400 /nfs/dbraw/zinc/15/94/00/134159400.db2.gz QEEISLAIWXTDDW-SNVBAGLBSA-N 2 1 212.341 0.417 20 30 BCEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1 ZINC000262001048 135114848 /nfs/dbraw/zinc/11/48/48/135114848.db2.gz PSQJOMLJLQLMJA-LLVKDONJSA-N 2 1 224.352 0.809 20 30 BCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCCC1 ZINC000262185675 135116632 /nfs/dbraw/zinc/11/66/32/135116632.db2.gz XNGKIXOYESQWAG-UHFFFAOYSA-N 2 1 235.335 0.863 20 30 BCEDMP COC[C@@H](C)NC(=[NH2+])NCCn1cc[nH+]c1C ZINC000264068701 135131108 /nfs/dbraw/zinc/13/11/08/135131108.db2.gz CIKHQINPVPVCCC-SECBINFHSA-N 2 1 239.323 0.131 20 30 BCEDMP COCCNC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264086263 135132456 /nfs/dbraw/zinc/13/24/56/135132456.db2.gz JKKJXTFLVSSITF-UHFFFAOYSA-N 2 1 239.323 0.132 20 30 BCEDMP Cc1[nH+]ccn1CCNC(=[NH2+])NC1CC1 ZINC000261535377 135169628 /nfs/dbraw/zinc/16/96/28/135169628.db2.gz OIUCPPNUQGUYQB-UHFFFAOYSA-N 2 1 207.281 0.258 20 30 BCEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261723776 135248354 /nfs/dbraw/zinc/24/83/54/135248354.db2.gz GFGWYWFSBPROCX-QWRGUYRKSA-N 2 1 240.351 0.021 20 30 BCEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000261723767 135248497 /nfs/dbraw/zinc/24/84/97/135248497.db2.gz GFGWYWFSBPROCX-GHMZBOCLSA-N 2 1 240.351 0.021 20 30 BCEDMP C[N@H+](CCNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000262015952 135272883 /nfs/dbraw/zinc/27/28/83/135272883.db2.gz WCXIWHRULDOVBN-UHFFFAOYSA-N 2 1 242.392 0.444 20 30 BCEDMP C[N@@H+](CCNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000262015952 135272884 /nfs/dbraw/zinc/27/28/84/135272884.db2.gz WCXIWHRULDOVBN-UHFFFAOYSA-N 2 1 242.392 0.444 20 30 BCEDMP C=CCNC(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000262019972 135272888 /nfs/dbraw/zinc/27/28/88/135272888.db2.gz YOGSJQFSMRNPGG-CMPLNLGQSA-N 2 1 236.363 0.820 20 30 BCEDMP COCC[N@H+]1CCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262681247 135313269 /nfs/dbraw/zinc/31/32/69/135313269.db2.gz WFGYJLFMAUIDOG-MNOVXSKESA-N 2 1 240.351 0.035 20 30 BCEDMP CC(C)[N@H+]1CCC[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000262687688 135313882 /nfs/dbraw/zinc/31/38/82/135313882.db2.gz YYEQABWYVRYOEI-LBPRGKRZSA-N 2 1 238.379 0.998 20 30 BCEDMP [NH2+]=C(NCC[NH+]1CCC1)Nc1ccccn1 ZINC000262796769 135318755 /nfs/dbraw/zinc/31/87/55/135318755.db2.gz PXKYHYPNTINRPN-UHFFFAOYSA-N 2 1 219.292 0.514 20 30 BCEDMP C[NH+]=C(NC1CCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262820055 135320312 /nfs/dbraw/zinc/32/03/12/135320312.db2.gz XVUKHRYLGHHBOA-LLVKDONJSA-N 2 1 236.363 0.941 20 30 BCEDMP C[NH+]=C(NC1CCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262820055 135320314 /nfs/dbraw/zinc/32/03/14/135320314.db2.gz XVUKHRYLGHHBOA-LLVKDONJSA-N 2 1 236.363 0.941 20 30 BCEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)NC1CCC1 ZINC000263087934 135331996 /nfs/dbraw/zinc/33/19/96/135331996.db2.gz INGUEEGGJBHANQ-UHFFFAOYSA-N 2 1 240.351 0.166 20 30 BCEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)NC1CCC1 ZINC000263087934 135331997 /nfs/dbraw/zinc/33/19/97/135331997.db2.gz INGUEEGGJBHANQ-UHFFFAOYSA-N 2 1 240.351 0.166 20 30 BCEDMP CN1CC[NH+]=C1NCC[N@H+]1CCCC1(C)C ZINC000263194820 135338727 /nfs/dbraw/zinc/33/87/27/135338727.db2.gz WHAQOQLUHZVZCW-UHFFFAOYSA-N 2 1 224.352 0.752 20 30 BCEDMP C=CCNC(NC[C@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000263249446 135342533 /nfs/dbraw/zinc/34/25/33/135342533.db2.gz ODYPMZLGSNWMHO-LLVKDONJSA-N 2 1 236.363 0.822 20 30 BCEDMP C=C(C)COCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000163793194 398131692 /nfs/dbraw/zinc/13/16/92/398131692.db2.gz SDLMTXRSEYFOBS-ZDUSSCGKSA-N 2 1 242.363 0.625 20 30 BCEDMP CCN(CC)C(=[NH2+])NCCn1cc[nH+]c1C ZINC000264118679 169744380 /nfs/dbraw/zinc/74/43/80/169744380.db2.gz UFHYFEJPXQGHTR-UHFFFAOYSA-N 2 1 223.324 0.848 20 30 BCEDMP C=CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000082653972 166355741 /nfs/dbraw/zinc/35/57/41/166355741.db2.gz WMBQEAIRLRBOOO-LBPRGKRZSA-N 2 1 237.347 0.316 20 30 BCEDMP C=CCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC ZINC000653635804 411153085 /nfs/dbraw/zinc/15/30/85/411153085.db2.gz DYFWMNUAJGYYBI-NSHDSACASA-N 2 1 200.326 0.807 20 30 BCEDMP C=CCC[NH+](C)C[C@@H](O)C[N@H+](C)CC ZINC000653635804 411153089 /nfs/dbraw/zinc/15/30/89/411153089.db2.gz DYFWMNUAJGYYBI-NSHDSACASA-N 2 1 200.326 0.807 20 30 BCEDMP C=CCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000653635804 411153093 /nfs/dbraw/zinc/15/30/93/411153093.db2.gz DYFWMNUAJGYYBI-NSHDSACASA-N 2 1 200.326 0.807 20 30 BCEDMP C=CCC[N@H+](C)C[C@@H](O)C[NH+](C)CC ZINC000653635804 411153095 /nfs/dbraw/zinc/15/30/95/411153095.db2.gz DYFWMNUAJGYYBI-NSHDSACASA-N 2 1 200.326 0.807 20 30 BCEDMP C=C[C@H](CO)[NH2+]CCC[NH+]1CCCCC1 ZINC000662168690 411372346 /nfs/dbraw/zinc/37/23/46/411372346.db2.gz QUTVRWLXYVHWGA-GFCCVEGCSA-N 2 1 212.337 0.999 20 30 BCEDMP C=CC[N@H+](CCOCC[NH3+])[C@@H](C)COC ZINC000662299824 412086896 /nfs/dbraw/zinc/08/68/96/412086896.db2.gz XTEJTFCVADRTGQ-NSHDSACASA-N 2 1 216.325 0.485 20 30 BCEDMP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C#N ZINC000359700792 173140112 /nfs/dbraw/zinc/14/01/12/173140112.db2.gz QGBBZVNXTKDEQV-CYBMUJFWSA-N 2 1 248.330 0.053 20 30 BCEDMP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C#N ZINC000359700792 173140114 /nfs/dbraw/zinc/14/01/14/173140114.db2.gz QGBBZVNXTKDEQV-CYBMUJFWSA-N 2 1 248.330 0.053 20 30 BCEDMP NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272662974 487647236 /nfs/dbraw/zinc/64/72/36/487647236.db2.gz ABVGACXUJOSHHG-GFCCVEGCSA-N 2 1 248.330 0.027 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226035012 487653544 /nfs/dbraw/zinc/65/35/44/487653544.db2.gz FPVXMUCYTSWZFN-SDDRHHMPSA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226035012 487653552 /nfs/dbraw/zinc/65/35/52/487653552.db2.gz FPVXMUCYTSWZFN-SDDRHHMPSA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000923430430 644420912 /nfs/dbraw/zinc/42/09/12/644420912.db2.gz LEQQHSGHHUFDLA-MNOVXSKESA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000923430430 644420918 /nfs/dbraw/zinc/42/09/18/644420918.db2.gz LEQQHSGHHUFDLA-MNOVXSKESA-N 2 1 212.337 0.983 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)OC ZINC000328076342 323033895 /nfs/dbraw/zinc/03/38/95/323033895.db2.gz FUACYFPUQZUUBF-NEPJUHHUSA-N 2 1 212.337 0.955 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H](C)OC ZINC000328076342 323033896 /nfs/dbraw/zinc/03/38/96/323033896.db2.gz FUACYFPUQZUUBF-NEPJUHHUSA-N 2 1 212.337 0.955 20 30 BCEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CSC)CC1 ZINC000570156099 323051236 /nfs/dbraw/zinc/05/12/36/323051236.db2.gz XFBYXFVGKSRVQY-GFCCVEGCSA-N 2 1 244.404 0.950 20 30 BCEDMP CCC[N@H+]1CC[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262676430 534950717 /nfs/dbraw/zinc/95/07/17/534950717.db2.gz UBIDUZKDUJTUPI-GHMZBOCLSA-N 2 1 224.352 0.656 20 30 BCEDMP CC(C)C[N@H+]1CC[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262679383 535127979 /nfs/dbraw/zinc/12/79/79/535127979.db2.gz VLFMTWFCIQXAJU-RYUDHWBXSA-N 2 1 238.379 0.902 20 30 BCEDMP CC[NH+]=C(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)N(C)C ZINC000261958607 535265757 /nfs/dbraw/zinc/26/57/57/535265757.db2.gz JNGOAQBPUWECGC-ZYHUDNBSSA-N 2 1 238.379 0.996 20 30 BCEDMP CC[N@H+]1CCCC[C@H]1CNC1=[NH+]CCN1C ZINC000262666614 535501637 /nfs/dbraw/zinc/50/16/37/535501637.db2.gz PAWWDHAYRYBBGQ-NSHDSACASA-N 2 1 224.352 0.752 20 30 BCEDMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336769779 535955238 /nfs/dbraw/zinc/95/52/38/535955238.db2.gz VCGRKZVUDLZMHP-OUAUKWLOSA-N 2 1 211.309 0.191 20 30 BCEDMP C#CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855345539 588828558 /nfs/dbraw/zinc/82/85/58/588828558.db2.gz CPGZQCPSUSQAEF-NSHDSACASA-N 2 1 225.336 0.008 20 30 BCEDMP C#CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855345539 588828559 /nfs/dbraw/zinc/82/85/59/588828559.db2.gz CPGZQCPSUSQAEF-NSHDSACASA-N 2 1 225.336 0.008 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880140900 583472763 /nfs/dbraw/zinc/47/27/63/583472763.db2.gz FCWBEJOVUILMKG-STQMWFEESA-N 2 1 222.332 0.805 20 30 BCEDMP C#CCOCCN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880140900 583472765 /nfs/dbraw/zinc/47/27/65/583472765.db2.gz FCWBEJOVUILMKG-STQMWFEESA-N 2 1 222.332 0.805 20 30 BCEDMP C#CCOCCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140900 583472767 /nfs/dbraw/zinc/47/27/67/583472767.db2.gz FCWBEJOVUILMKG-STQMWFEESA-N 2 1 222.332 0.805 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880140896 583472984 /nfs/dbraw/zinc/47/29/84/583472984.db2.gz FCWBEJOVUILMKG-OLZOCXBDSA-N 2 1 222.332 0.805 20 30 BCEDMP C#CCOCCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880140896 583472986 /nfs/dbraw/zinc/47/29/86/583472986.db2.gz FCWBEJOVUILMKG-OLZOCXBDSA-N 2 1 222.332 0.805 20 30 BCEDMP C#CCOCCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140896 583472988 /nfs/dbraw/zinc/47/29/88/583472988.db2.gz FCWBEJOVUILMKG-OLZOCXBDSA-N 2 1 222.332 0.805 20 30 BCEDMP CN(C(=[NH2+])NCCC[NH+]1CCOCC1)C1CC1 ZINC000115958398 588938567 /nfs/dbraw/zinc/93/85/67/588938567.db2.gz RMRFKRVUIVCLCV-UHFFFAOYSA-N 2 1 240.351 0.118 20 30 BCEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729920617 584029759 /nfs/dbraw/zinc/02/97/59/584029759.db2.gz NRCGOXIRLPIQPW-LBPRGKRZSA-N 2 1 246.314 0.269 20 30 BCEDMP C#CCNC(=O)CN1CCC[C@H](n2ccnc2)C1 ZINC000729920617 584029761 /nfs/dbraw/zinc/02/97/61/584029761.db2.gz NRCGOXIRLPIQPW-LBPRGKRZSA-N 2 1 246.314 0.269 20 30 BCEDMP N#CC1CCC(C[N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000903449906 584771892 /nfs/dbraw/zinc/77/18/92/584771892.db2.gz XFZSOGUZGFODDR-BPCQOVAHSA-N 2 1 237.347 0.976 20 30 BCEDMP N#CC1CCC(C[N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000903449906 584771893 /nfs/dbraw/zinc/77/18/93/584771893.db2.gz XFZSOGUZGFODDR-BPCQOVAHSA-N 2 1 237.347 0.976 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000816950402 584982269 /nfs/dbraw/zinc/98/22/69/584982269.db2.gz RHGICVHKELZZJK-VXGBXAGGSA-N 2 1 237.347 0.267 20 30 BCEDMP C[C@H]1CC(=NN2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000741450785 585113967 /nfs/dbraw/zinc/11/39/67/585113967.db2.gz AVWKNSHQSDMQSG-NSHDSACASA-N 2 1 224.352 0.704 20 30 BCEDMP C[C@H]1CC(=NN2CC[NH+](C)CC2)CC[N@H+]1C ZINC000741450785 585113968 /nfs/dbraw/zinc/11/39/68/585113968.db2.gz AVWKNSHQSDMQSG-NSHDSACASA-N 2 1 224.352 0.704 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000764576572 585468062 /nfs/dbraw/zinc/46/80/62/585468062.db2.gz RXWBJKGRPPZUFE-LBPRGKRZSA-N 2 1 239.363 0.657 20 30 BCEDMP C#CC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000787677384 585913913 /nfs/dbraw/zinc/91/39/13/585913913.db2.gz WDIWEYMLDJLMAX-ZDUSSCGKSA-N 2 1 222.332 0.806 20 30 BCEDMP C#CCN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000787677384 585913914 /nfs/dbraw/zinc/91/39/14/585913914.db2.gz WDIWEYMLDJLMAX-ZDUSSCGKSA-N 2 1 222.332 0.806 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000841452514 587955084 /nfs/dbraw/zinc/95/50/84/587955084.db2.gz BZMKGIQMFOORTD-LBPRGKRZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000841452514 587955086 /nfs/dbraw/zinc/95/50/86/587955086.db2.gz BZMKGIQMFOORTD-LBPRGKRZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000847026378 588304082 /nfs/dbraw/zinc/30/40/82/588304082.db2.gz YILKWOOKJCVHJQ-KBPBESRZSA-N 2 1 236.359 0.788 20 30 BCEDMP C#C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000847026378 588304083 /nfs/dbraw/zinc/30/40/83/588304083.db2.gz YILKWOOKJCVHJQ-KBPBESRZSA-N 2 1 236.359 0.788 20 30 BCEDMP C#C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000847026380 588304110 /nfs/dbraw/zinc/30/41/10/588304110.db2.gz YILKWOOKJCVHJQ-UONOGXRCSA-N 2 1 236.359 0.788 20 30 BCEDMP C#C[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000847026380 588304111 /nfs/dbraw/zinc/30/41/11/588304111.db2.gz YILKWOOKJCVHJQ-UONOGXRCSA-N 2 1 236.359 0.788 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000849005287 588432147 /nfs/dbraw/zinc/43/21/47/588432147.db2.gz KFCRMJLEBIDKFJ-SNVBAGLBSA-N 2 1 210.325 0.628 20 30 BCEDMP C[C@H]1C[NH+]=C(NCC[N@H+]2CCCC2(C)C)N1 ZINC000849039056 588446881 /nfs/dbraw/zinc/44/68/81/588446881.db2.gz GHNVEQQGVUPYPC-JTQLQIEISA-N 2 1 224.352 0.798 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000851771855 588626145 /nfs/dbraw/zinc/62/61/45/588626145.db2.gz QICNPYIVOHMVMC-GFCCVEGCSA-N 2 1 210.321 0.520 20 30 BCEDMP C#CCOCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000851781872 588627729 /nfs/dbraw/zinc/62/77/29/588627729.db2.gz HIEZDZWGOZJXHA-CYBMUJFWSA-N 2 1 224.348 0.910 20 30 BCEDMP C#CCOCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000851781872 588627730 /nfs/dbraw/zinc/62/77/30/588627730.db2.gz HIEZDZWGOZJXHA-CYBMUJFWSA-N 2 1 224.348 0.910 20 30 BCEDMP C#CCOCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000851781872 588627731 /nfs/dbraw/zinc/62/77/31/588627731.db2.gz HIEZDZWGOZJXHA-CYBMUJFWSA-N 2 1 224.348 0.910 20 30 BCEDMP C[N@H+]1CC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858585 588708978 /nfs/dbraw/zinc/70/89/78/588708978.db2.gz FBTFNJOWEGAMKC-CYBMUJFWSA-N 2 1 249.358 0.057 20 30 BCEDMP CC(C)(O)C[NH+]1CCC(=[NH+]n2cccn2)CC1 ZINC000863163853 589266380 /nfs/dbraw/zinc/26/63/80/589266380.db2.gz QZGYJOLQTDCFGJ-UHFFFAOYSA-N 2 1 236.319 0.954 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000863503305 589294503 /nfs/dbraw/zinc/29/45/03/589294503.db2.gz CNRZWLKUMADOOK-NSHDSACASA-N 2 1 225.336 0.315 20 30 BCEDMP C=CC[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709519 589514658 /nfs/dbraw/zinc/51/46/58/589514658.db2.gz RSPPLXRSRYAODU-AXFHLTTASA-N 2 1 237.303 0.039 20 30 BCEDMP C=CC[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000877957571 590457881 /nfs/dbraw/zinc/45/78/81/590457881.db2.gz BCUYPNFUJSZMPV-GFCCVEGCSA-N 2 1 239.363 0.657 20 30 BCEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879577894 590815431 /nfs/dbraw/zinc/81/54/31/590815431.db2.gz NSDLAIYTTUWWFA-AGIUHOORSA-N 2 1 224.348 0.949 20 30 BCEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879577894 590815433 /nfs/dbraw/zinc/81/54/33/590815433.db2.gz NSDLAIYTTUWWFA-AGIUHOORSA-N 2 1 224.348 0.949 20 30 BCEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879577894 590815436 /nfs/dbraw/zinc/81/54/36/590815436.db2.gz NSDLAIYTTUWWFA-AGIUHOORSA-N 2 1 224.348 0.949 20 30 BCEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879577894 590815438 /nfs/dbraw/zinc/81/54/38/590815438.db2.gz NSDLAIYTTUWWFA-AGIUHOORSA-N 2 1 224.348 0.949 20 30 BCEDMP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579258 590818323 /nfs/dbraw/zinc/81/83/23/590818323.db2.gz KQCWDFOPOLPOLB-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579258 590818329 /nfs/dbraw/zinc/81/83/29/590818329.db2.gz KQCWDFOPOLPOLB-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579258 590818332 /nfs/dbraw/zinc/81/83/32/590818332.db2.gz KQCWDFOPOLPOLB-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCNC(=O)CC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579258 590818336 /nfs/dbraw/zinc/81/83/36/590818336.db2.gz KQCWDFOPOLPOLB-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCOCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580314 590821967 /nfs/dbraw/zinc/82/19/67/590821967.db2.gz SINJYTYAYBRDIW-CHWSQXEVSA-N 2 1 222.332 0.662 20 30 BCEDMP C#CCOCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580314 590821971 /nfs/dbraw/zinc/82/19/71/590821971.db2.gz SINJYTYAYBRDIW-CHWSQXEVSA-N 2 1 222.332 0.662 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580314 590821975 /nfs/dbraw/zinc/82/19/75/590821975.db2.gz SINJYTYAYBRDIW-CHWSQXEVSA-N 2 1 222.332 0.662 20 30 BCEDMP C#CCOCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580314 590821978 /nfs/dbraw/zinc/82/19/78/590821978.db2.gz SINJYTYAYBRDIW-CHWSQXEVSA-N 2 1 222.332 0.662 20 30 BCEDMP C#CC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000886365743 592219543 /nfs/dbraw/zinc/21/95/43/592219543.db2.gz OQVRMULCMRFLKA-JSGCOSHPSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000886365743 592219539 /nfs/dbraw/zinc/21/95/39/592219539.db2.gz OQVRMULCMRFLKA-JSGCOSHPSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000886365743 592219541 /nfs/dbraw/zinc/21/95/41/592219541.db2.gz OQVRMULCMRFLKA-JSGCOSHPSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000886365743 592219542 /nfs/dbraw/zinc/21/95/42/592219542.db2.gz OQVRMULCMRFLKA-JSGCOSHPSA-N 2 1 236.359 0.787 20 30 BCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1CC1 ZINC000104159815 592602455 /nfs/dbraw/zinc/60/24/55/592602455.db2.gz MOCFXUFWKRQWAS-UHFFFAOYSA-N 2 1 240.351 0.023 20 30 BCEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N(C)C ZINC000178566713 635511448 /nfs/dbraw/zinc/51/14/48/635511448.db2.gz GMTPAELBLGGQHF-JTQLQIEISA-N 2 1 212.341 0.737 20 30 BCEDMP C[C@@H]1CC[N@@H+](CCNC2=[NH+]C[C@H](C)N2)C1 ZINC000849004267 631902775 /nfs/dbraw/zinc/90/27/75/631902775.db2.gz KCZKJPGOZMACKK-ZJUUUORDSA-N 2 1 210.325 0.266 20 30 BCEDMP C#CCSCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309202844 632808524 /nfs/dbraw/zinc/80/85/24/632808524.db2.gz AQKMZMPJWMKLMJ-LBPRGKRZSA-N 2 1 242.388 0.398 20 30 BCEDMP C#CCSCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309202844 632808528 /nfs/dbraw/zinc/80/85/28/632808528.db2.gz AQKMZMPJWMKLMJ-LBPRGKRZSA-N 2 1 242.388 0.398 20 30 BCEDMP C#CC[N@@H+](C)CCCNc1nc(C)nc(N)n1 ZINC000327981063 633200040 /nfs/dbraw/zinc/20/00/40/633200040.db2.gz IUXBXRSIGXPFFO-UHFFFAOYSA-N 2 1 234.307 0.129 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928445084 635949577 /nfs/dbraw/zinc/94/95/77/635949577.db2.gz WQCUSOCQQMNZBH-WDEREUQCSA-N 2 1 225.336 0.313 20 30 BCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980397271 635220548 /nfs/dbraw/zinc/22/05/48/635220548.db2.gz ONRANPUICFKAAN-STQMWFEESA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980397271 635220557 /nfs/dbraw/zinc/22/05/57/635220557.db2.gz ONRANPUICFKAAN-STQMWFEESA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980397271 635220565 /nfs/dbraw/zinc/22/05/65/635220565.db2.gz ONRANPUICFKAAN-STQMWFEESA-N 2 1 249.358 0.104 20 30 BCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000729527554 636817337 /nfs/dbraw/zinc/81/73/37/636817337.db2.gz PVVMPMALCZKBFJ-CYBMUJFWSA-N 2 1 249.358 0.106 20 30 BCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000729527554 636817343 /nfs/dbraw/zinc/81/73/43/636817343.db2.gz PVVMPMALCZKBFJ-CYBMUJFWSA-N 2 1 249.358 0.106 20 30 BCEDMP C#CC[NH2+]CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911808111 639829297 /nfs/dbraw/zinc/82/92/97/639829297.db2.gz BDGXPGFCOBUQGY-UHFFFAOYSA-N 2 1 243.310 0.494 20 30 BCEDMP C#CC[NH2+]CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911849218 639858284 /nfs/dbraw/zinc/85/82/84/639858284.db2.gz YUERCIMRCFEWGH-JTQLQIEISA-N 2 1 231.299 0.868 20 30 BCEDMP C=CCNC(=O)CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000931432681 640199864 /nfs/dbraw/zinc/19/98/64/640199864.db2.gz ZSMPIQDLPGOBTH-NEPJUHHUSA-N 2 1 237.347 0.172 20 30 BCEDMP C=CCNC(=O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931432681 640199869 /nfs/dbraw/zinc/19/98/69/640199869.db2.gz ZSMPIQDLPGOBTH-NEPJUHHUSA-N 2 1 237.347 0.172 20 30 BCEDMP C=CCNC(=O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931432681 640199873 /nfs/dbraw/zinc/19/98/73/640199873.db2.gz ZSMPIQDLPGOBTH-NEPJUHHUSA-N 2 1 237.347 0.172 20 30 BCEDMP C=CCNC(=O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931432681 640199877 /nfs/dbraw/zinc/19/98/77/640199877.db2.gz ZSMPIQDLPGOBTH-NEPJUHHUSA-N 2 1 237.347 0.172 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931432681 640199882 /nfs/dbraw/zinc/19/98/82/640199882.db2.gz ZSMPIQDLPGOBTH-NEPJUHHUSA-N 2 1 237.347 0.172 20 30 BCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])N(C)C)C1 ZINC000170907954 640935585 /nfs/dbraw/zinc/93/55/85/640935585.db2.gz PSOXCOBEEUDABS-NSHDSACASA-N 2 1 242.367 0.220 20 30 BCEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])N(C)C)C1 ZINC000170913348 640938088 /nfs/dbraw/zinc/93/80/88/640938088.db2.gz PGGQFRUUUDSFAA-SNVBAGLBSA-N 2 1 212.341 0.595 20 30 BCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971204810 642327193 /nfs/dbraw/zinc/32/71/93/642327193.db2.gz OYWUHVGNRUNBIK-QWHCGFSZSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000971204810 642327199 /nfs/dbraw/zinc/32/71/99/642327199.db2.gz OYWUHVGNRUNBIK-QWHCGFSZSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000971204810 642327207 /nfs/dbraw/zinc/32/72/07/642327207.db2.gz OYWUHVGNRUNBIK-QWHCGFSZSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CCC1([NH2+]C[C@H](O)C[N@H+](C)CC)CCC1 ZINC000933296947 642507160 /nfs/dbraw/zinc/50/71/60/642507160.db2.gz SOEGUJPQLLUWEJ-LBPRGKRZSA-N 2 1 224.348 0.835 20 30 BCEDMP CNC(NC[C@@H]1CC[N@@H+](CC(C)C)C1)=[NH+]C ZINC000305045910 642634274 /nfs/dbraw/zinc/63/42/74/642634274.db2.gz XXKIQPMHUDBZMH-NSHDSACASA-N 2 1 226.368 0.759 20 30 BCEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969099660 642822879 /nfs/dbraw/zinc/82/28/79/642822879.db2.gz QWNBMVMDPZZALP-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015701897 642924309 /nfs/dbraw/zinc/92/43/09/642924309.db2.gz KGFSMZZRZNPAEY-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015701897 642924321 /nfs/dbraw/zinc/92/43/21/642924321.db2.gz KGFSMZZRZNPAEY-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015701897 642924325 /nfs/dbraw/zinc/92/43/25/642924325.db2.gz KGFSMZZRZNPAEY-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015701897 642924329 /nfs/dbraw/zinc/92/43/29/642924329.db2.gz KGFSMZZRZNPAEY-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015709361 642926173 /nfs/dbraw/zinc/92/61/73/642926173.db2.gz UWBOEUSUUMFDMH-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001015709361 642926180 /nfs/dbraw/zinc/92/61/80/642926180.db2.gz UWBOEUSUUMFDMH-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015709361 642926190 /nfs/dbraw/zinc/92/61/90/642926190.db2.gz UWBOEUSUUMFDMH-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015709361 642926195 /nfs/dbraw/zinc/92/61/95/642926195.db2.gz UWBOEUSUUMFDMH-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001019044251 643018610 /nfs/dbraw/zinc/01/86/10/643018610.db2.gz QWNBMVMDPZZALP-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C[NH+]=C(NCC1CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083093868 643410543 /nfs/dbraw/zinc/41/05/43/643410543.db2.gz MLKXKYDPUWDTBP-LLVKDONJSA-N 2 1 236.363 0.798 20 30 BCEDMP C[NH+]=C(NCC1CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083093868 643410544 /nfs/dbraw/zinc/41/05/44/643410544.db2.gz MLKXKYDPUWDTBP-LLVKDONJSA-N 2 1 236.363 0.798 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000923282317 644315967 /nfs/dbraw/zinc/31/59/67/644315967.db2.gz MXPOBVAIJHNAAL-NWDGAFQWSA-N 2 1 212.337 0.984 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000923288271 644319511 /nfs/dbraw/zinc/31/95/11/644319511.db2.gz ZCWREQJQFQRIGH-ZDUSSCGKSA-N 2 1 241.379 0.151 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000923386055 644400176 /nfs/dbraw/zinc/40/01/76/644400176.db2.gz KPGVKTDOXWDXPC-SNVBAGLBSA-N 2 1 200.326 0.983 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+](C)CC(C)(C)[NH3+] ZINC000923386055 644400182 /nfs/dbraw/zinc/40/01/82/644400182.db2.gz KPGVKTDOXWDXPC-SNVBAGLBSA-N 2 1 200.326 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000923388520 644402798 /nfs/dbraw/zinc/40/27/98/644402798.db2.gz RLLIOSYTIPUVRY-FRRDWIJNSA-N 2 1 242.363 0.609 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+](C)CCOCC[NH3+] ZINC000923403081 644407602 /nfs/dbraw/zinc/40/76/02/644407602.db2.gz NTJHOCRKVZXJEH-LLVKDONJSA-N 2 1 216.325 0.221 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000923430432 644422864 /nfs/dbraw/zinc/42/28/64/644422864.db2.gz LEQQHSGHHUFDLA-WDEREUQCSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000923430432 644422865 /nfs/dbraw/zinc/42/28/65/644422865.db2.gz LEQQHSGHHUFDLA-WDEREUQCSA-N 2 1 212.337 0.983 20 30 BCEDMP N#C[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432430 644426960 /nfs/dbraw/zinc/42/69/60/644426960.db2.gz MINDIHQWVUNNFX-RYUDHWBXSA-N 2 1 235.331 0.600 20 30 BCEDMP N#C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432430 644426963 /nfs/dbraw/zinc/42/69/63/644426963.db2.gz MINDIHQWVUNNFX-RYUDHWBXSA-N 2 1 235.331 0.600 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](CC[NH3+])C2)C1=O ZINC000923482399 644459562 /nfs/dbraw/zinc/45/95/62/644459562.db2.gz ZKTNZYLYQJPXBF-RYUDHWBXSA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499128 644472536 /nfs/dbraw/zinc/47/25/36/644472536.db2.gz KCRVIUVPJWKTPH-WOPDTQHZSA-N 2 1 239.363 0.594 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C1 ZINC000923552819 644494101 /nfs/dbraw/zinc/49/41/01/644494101.db2.gz ZZYRXHZXPMJFBT-NEPJUHHUSA-N 2 1 237.347 0.150 20 30 BCEDMP C#CCN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000923552016 644495320 /nfs/dbraw/zinc/49/53/20/644495320.db2.gz RYYCHUKDWVHBSJ-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000923552016 644495323 /nfs/dbraw/zinc/49/53/23/644495323.db2.gz RYYCHUKDWVHBSJ-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP CNC(NC[C@H](Cc1ccccc1)[NH+](C)C)=[NH+]C ZINC000303265126 644813567 /nfs/dbraw/zinc/81/35/67/644813567.db2.gz UECDBSWLGNPLAH-ZDUSSCGKSA-N 2 1 248.374 0.954 20 30 BCEDMP CNC(NCC[N@H+]1CCCC[C@@H]1C)=[NH+]C ZINC000303268642 644815764 /nfs/dbraw/zinc/81/57/64/644815764.db2.gz ZBNOLUCXLKRPSA-JTQLQIEISA-N 2 1 212.341 0.656 20 30 BCEDMP CCCCNC(=[NH2+])NCCC[N@@H+](C)CCOC ZINC000303908573 644856261 /nfs/dbraw/zinc/85/62/61/644856261.db2.gz XQCRBTKRMSIPKA-UHFFFAOYSA-N 2 1 244.383 0.659 20 30 BCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1 ZINC000303968784 644860753 /nfs/dbraw/zinc/86/07/53/644860753.db2.gz AZOUNSNICVNYAI-ZJUUUORDSA-N 2 1 242.367 0.408 20 30 BCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000303968777 644860928 /nfs/dbraw/zinc/86/09/28/644860928.db2.gz AZOUNSNICVNYAI-NXEZZACHSA-N 2 1 242.367 0.408 20 30 BCEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N1CCOCC1 ZINC000303977067 644860965 /nfs/dbraw/zinc/86/09/65/644860965.db2.gz KVFUTAVFRHPZNY-LLVKDONJSA-N 2 1 242.367 0.364 20 30 BCEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)COC ZINC000303969062 644861071 /nfs/dbraw/zinc/86/10/71/644861071.db2.gz BJHRUBWNUBRXFE-QWRGUYRKSA-N 2 1 244.383 0.656 20 30 BCEDMP CCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCOC ZINC000303984547 644864068 /nfs/dbraw/zinc/86/40/68/644864068.db2.gz SERFTEXRWCTMII-LLVKDONJSA-N 2 1 242.367 0.412 20 30 BCEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCCOC ZINC000304064705 644868748 /nfs/dbraw/zinc/86/87/48/644868748.db2.gz SMQGKKVITRSSMU-NSHDSACASA-N 2 1 242.367 0.412 20 30 BCEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000304746532 644929510 /nfs/dbraw/zinc/92/95/10/644929510.db2.gz FUMOPGDFNHZPQN-LLVKDONJSA-N 2 1 224.352 0.809 20 30 BCEDMP C#CCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844381653 645324105 /nfs/dbraw/zinc/32/41/05/645324105.db2.gz PMHNPJSTBLLOGH-UHFFFAOYSA-N 2 1 237.347 0.106 20 30 BCEDMP C#CCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844381653 645324111 /nfs/dbraw/zinc/32/41/11/645324111.db2.gz PMHNPJSTBLLOGH-UHFFFAOYSA-N 2 1 237.347 0.106 20 30 BCEDMP C=CC[C@H](CO)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925629871 646374971 /nfs/dbraw/zinc/37/49/71/646374971.db2.gz MBVBQNQBYLUAHM-SRVKXCTJSA-N 2 1 212.337 0.901 20 30 BCEDMP C=CC[C@@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925647904 646390448 /nfs/dbraw/zinc/39/04/48/646390448.db2.gz KCBCYQPUIHKUIL-WDEREUQCSA-N 2 1 210.321 0.798 20 30 BCEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182520 711905463 /nfs/dbraw/zinc/90/54/63/711905463.db2.gz MJVHNYRXNSYTBS-LBPRGKRZSA-N 2 1 237.347 0.172 20 30 BCEDMP C=CC[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000715058409 712505393 /nfs/dbraw/zinc/50/53/93/712505393.db2.gz POLDBPVZQPCGDE-GFCCVEGCSA-N 2 1 211.353 0.788 20 30 BCEDMP N#Cc1cnc(NCC[NH+]2CCC([NH3+])CC2)cn1 ZINC000721851212 710687287 /nfs/dbraw/zinc/68/72/87/710687287.db2.gz HCZNGQULGVYRNP-UHFFFAOYSA-N 2 1 246.318 0.183 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCOC ZINC000392899527 711153138 /nfs/dbraw/zinc/15/31/38/711153138.db2.gz OZYNHMYAKBUXFD-LBPRGKRZSA-N 2 1 212.337 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCOC ZINC000392899527 711153143 /nfs/dbraw/zinc/15/31/43/711153143.db2.gz OZYNHMYAKBUXFD-LBPRGKRZSA-N 2 1 212.337 0.956 20 30 BCEDMP CC(C)[N@@H+](C)CCCNC1=[NH+]CCCN1C ZINC000386495773 711031127 /nfs/dbraw/zinc/03/11/27/711031127.db2.gz VBKBPRXWZNIGIA-UHFFFAOYSA-N 2 1 226.368 0.998 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001074561547 711443479 /nfs/dbraw/zinc/44/34/79/711443479.db2.gz DJIZUAYTSOBQFH-AVGNSLFASA-N 2 1 249.358 0.293 20 30 BCEDMP C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001027792829 711735586 /nfs/dbraw/zinc/73/55/86/711735586.db2.gz XCDATRGGSRPGBM-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032945232 711968963 /nfs/dbraw/zinc/96/89/63/711968963.db2.gz OTRWRORIHXWSRQ-QWHCGFSZSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032945232 711968965 /nfs/dbraw/zinc/96/89/65/711968965.db2.gz OTRWRORIHXWSRQ-QWHCGFSZSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032945232 711968966 /nfs/dbraw/zinc/96/89/66/711968966.db2.gz OTRWRORIHXWSRQ-QWHCGFSZSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032945232 711968968 /nfs/dbraw/zinc/96/89/68/711968968.db2.gz OTRWRORIHXWSRQ-QWHCGFSZSA-N 2 1 249.358 0.247 20 30 BCEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000705374009 712130936 /nfs/dbraw/zinc/13/09/36/712130936.db2.gz FXMDJBDOMOPKJS-WCQYABFASA-N 2 1 239.363 0.971 20 30 BCEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000705374009 712130938 /nfs/dbraw/zinc/13/09/38/712130938.db2.gz FXMDJBDOMOPKJS-WCQYABFASA-N 2 1 239.363 0.971 20 30 BCEDMP C=CC[C@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000714994987 712502827 /nfs/dbraw/zinc/50/28/27/712502827.db2.gz DLDQKNKPXJUJFO-RYUDHWBXSA-N 2 1 239.363 0.738 20 30 BCEDMP C#CC[C@@H](COC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000716826614 712576735 /nfs/dbraw/zinc/57/67/35/712576735.db2.gz AJIVLBKHKWSJKI-QWHCGFSZSA-N 2 1 240.347 0.071 20 30 BCEDMP C#CC[C@@H](COC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000716826616 712577020 /nfs/dbraw/zinc/57/70/20/712577020.db2.gz AJIVLBKHKWSJKI-STQMWFEESA-N 2 1 240.347 0.071 20 30 BCEDMP CN1CC[NH+]=C1NCC[N@H+]1CC=CCC1 ZINC000262670733 136374629 /nfs/dbraw/zinc/37/46/29/136374629.db2.gz QVBTYLVCBXCLCM-UHFFFAOYSA-N 2 1 208.309 0.139 20 30 BCEDMP CN1CC[NH+]=C1NCC[N@@H+]1CC=CCC1 ZINC000262670733 136374630 /nfs/dbraw/zinc/37/46/30/136374630.db2.gz QVBTYLVCBXCLCM-UHFFFAOYSA-N 2 1 208.309 0.139 20 30 BCEDMP CCCNC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000271850382 136374998 /nfs/dbraw/zinc/37/49/98/136374998.db2.gz VZHMVGFFBHQDLJ-UHFFFAOYSA-N 2 1 210.325 0.563 20 30 BCEDMP N#CCC1(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000085283367 344516501 /nfs/dbraw/zinc/51/65/01/344516501.db2.gz IEYCBAYHKXMBLB-QWRGUYRKSA-N 2 1 205.305 0.831 20 30 BCEDMP N#CCCCC[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000594437764 348053606 /nfs/dbraw/zinc/05/36/06/348053606.db2.gz FFBCEHMAWRRDEP-QMMMGPOBSA-N 2 1 248.277 0.108 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623487260 362911623 /nfs/dbraw/zinc/91/16/23/362911623.db2.gz YXBYUCBPMLWXIF-NSHDSACASA-N 2 1 239.363 0.751 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623487260 362911630 /nfs/dbraw/zinc/91/16/30/362911630.db2.gz YXBYUCBPMLWXIF-NSHDSACASA-N 2 1 239.363 0.751 20 30 BCEDMP C[C@@]1(C#N)CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595904978 348396211 /nfs/dbraw/zinc/39/62/11/348396211.db2.gz NLWVMYLXCYYZKJ-NEPJUHHUSA-N 2 1 235.331 0.743 20 30 BCEDMP C[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598715092 349025732 /nfs/dbraw/zinc/02/57/32/349025732.db2.gz MNTAYQGVDCXOSD-LBPRGKRZSA-N 2 1 239.363 0.971 20 30 BCEDMP CC[C@H](C)NC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000271794616 351437098 /nfs/dbraw/zinc/43/70/98/351437098.db2.gz JSNQVOJKHPXNJA-JTQLQIEISA-N 2 1 224.352 0.951 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170538 353255419 /nfs/dbraw/zinc/25/54/19/353255419.db2.gz QYXKUVZBZXDBEA-VXGBXAGGSA-N 2 1 239.363 0.738 20 30 BCEDMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336769777 353297502 /nfs/dbraw/zinc/29/75/02/353297502.db2.gz VCGRKZVUDLZMHP-GMTAPVOTSA-N 2 1 211.309 0.191 20 30 BCEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000639666304 356580482 /nfs/dbraw/zinc/58/04/82/356580482.db2.gz PZTXRQYFUDUJRE-NEPJUHHUSA-N 2 1 221.304 0.896 20 30 BCEDMP C=CCOCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761806 356679484 /nfs/dbraw/zinc/67/94/84/356679484.db2.gz FCBHUIXNIJDECR-CYBMUJFWSA-N 2 1 242.363 0.578 20 30 BCEDMP C=CCOCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761806 356679489 /nfs/dbraw/zinc/67/94/89/356679489.db2.gz FCBHUIXNIJDECR-CYBMUJFWSA-N 2 1 242.363 0.578 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506352 134189257 /nfs/dbraw/zinc/18/92/57/134189257.db2.gz JJSBYDHZOBXXHM-UHFFFAOYSA-N 2 1 237.347 0.364 20 30 BCEDMP C=C(C)CN(CC)C[C@H](O)C[N@H+](C)CCOC ZINC000582674941 357361594 /nfs/dbraw/zinc/36/15/94/357361594.db2.gz ZWFCVFIPXGBEAW-CYBMUJFWSA-N 2 1 244.379 0.824 20 30 BCEDMP C=C(C)CN(CC)C[C@H](O)C[N@@H+](C)CCOC ZINC000582674941 357361598 /nfs/dbraw/zinc/36/15/98/357361598.db2.gz ZWFCVFIPXGBEAW-CYBMUJFWSA-N 2 1 244.379 0.824 20 30 BCEDMP CC#CCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131296671 358667983 /nfs/dbraw/zinc/66/79/83/358667983.db2.gz IVZGHRBRFWIULV-CYBMUJFWSA-N 2 1 249.358 0.424 20 30 BCEDMP CC#CC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000131296671 358667988 /nfs/dbraw/zinc/66/79/88/358667988.db2.gz IVZGHRBRFWIULV-CYBMUJFWSA-N 2 1 249.358 0.424 20 30 BCEDMP N#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000619673341 369522479 /nfs/dbraw/zinc/52/24/79/369522479.db2.gz GXHZFMGVLYWDKL-AAEUAGOBSA-N 2 1 237.347 0.725 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784135 370535309 /nfs/dbraw/zinc/53/53/09/370535309.db2.gz KKMYEOCYDNLIRU-MBNYWOFBSA-N 2 1 249.358 0.587 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784135 370535313 /nfs/dbraw/zinc/53/53/13/370535313.db2.gz KKMYEOCYDNLIRU-MBNYWOFBSA-N 2 1 249.358 0.587 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069626846 384246425 /nfs/dbraw/zinc/24/64/25/384246425.db2.gz HUDMRRVTIVKKFA-QWRGUYRKSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069626846 384246431 /nfs/dbraw/zinc/24/64/31/384246431.db2.gz HUDMRRVTIVKKFA-QWRGUYRKSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405410250 384295293 /nfs/dbraw/zinc/29/52/93/384295293.db2.gz TXYHGTYMHAAFFY-BDAKNGLRSA-N 2 1 211.309 0.004 20 30 BCEDMP C[C@@H]1C[N@@H+](CCCNCCC#N)CCCO1 ZINC000517926296 384575451 /nfs/dbraw/zinc/57/54/51/384575451.db2.gz NQSOFHLOWYEWJB-GFCCVEGCSA-N 2 1 225.336 0.991 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N[C@@H](C)CC ZINC000491384824 384654700 /nfs/dbraw/zinc/65/47/00/384654700.db2.gz PTDFHYXFMVGAOI-NSHDSACASA-N 2 1 224.352 0.854 20 30 BCEDMP C[N@H+](C[C@H](O)C[NH2+]CCCCC#N)C1CC1 ZINC000564843184 384956320 /nfs/dbraw/zinc/95/63/20/384956320.db2.gz BBNCNPFNHMPPOU-GFCCVEGCSA-N 2 1 225.336 0.725 20 30 BCEDMP C[N@@H+](C[C@H](O)C[NH2+]CCCCC#N)C1CC1 ZINC000564843184 384956327 /nfs/dbraw/zinc/95/63/27/384956327.db2.gz BBNCNPFNHMPPOU-GFCCVEGCSA-N 2 1 225.336 0.725 20 30 BCEDMP C[N@H+](C[C@@H](O)C[NH2+]CCCCC#N)C1CC1 ZINC000564843187 384956445 /nfs/dbraw/zinc/95/64/45/384956445.db2.gz BBNCNPFNHMPPOU-LBPRGKRZSA-N 2 1 225.336 0.725 20 30 BCEDMP C[N@@H+](C[C@@H](O)C[NH2+]CCCCC#N)C1CC1 ZINC000564843187 384956453 /nfs/dbraw/zinc/95/64/53/384956453.db2.gz BBNCNPFNHMPPOU-LBPRGKRZSA-N 2 1 225.336 0.725 20 30 BCEDMP C[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000170909551 385455278 /nfs/dbraw/zinc/45/52/78/385455278.db2.gz VVXVKRZDWAGANN-JTQLQIEISA-N 2 1 233.319 0.902 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1CC ZINC000171801560 385518474 /nfs/dbraw/zinc/51/84/74/385518474.db2.gz TWAGQSRTCUPUGE-LLVKDONJSA-N 2 1 224.352 0.951 20 30 BCEDMP C#CCNC(NC[C@H]1CC[N@@H+](CC)C1)=[NH+]CC ZINC000262602198 533142394 /nfs/dbraw/zinc/14/23/94/533142394.db2.gz DQZYRYONFDYAEG-GFCCVEGCSA-N 2 1 236.363 0.517 20 30 BCEDMP C#CCNC(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]CC ZINC000262751866 533142105 /nfs/dbraw/zinc/14/21/05/533142105.db2.gz GTFXTLJRZVFUBW-NSHDSACASA-N 2 1 234.347 0.411 20 30 BCEDMP C#CCNC(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]CC ZINC000262751866 533142108 /nfs/dbraw/zinc/14/21/08/533142108.db2.gz GTFXTLJRZVFUBW-NSHDSACASA-N 2 1 234.347 0.411 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH2+]C)C2)C1=O ZINC000647836851 385882170 /nfs/dbraw/zinc/88/21/70/385882170.db2.gz DNKIDXZPRRHPTM-NEPJUHHUSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH2+]C)C2)C1=O ZINC000647836851 385882173 /nfs/dbraw/zinc/88/21/73/385882173.db2.gz DNKIDXZPRRHPTM-NEPJUHHUSA-N 2 1 237.347 0.315 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000392759348 387280249 /nfs/dbraw/zinc/28/02/49/387280249.db2.gz KAQUEXZTZLNOAW-OLZOCXBDSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000392759348 387280256 /nfs/dbraw/zinc/28/02/56/387280256.db2.gz KAQUEXZTZLNOAW-OLZOCXBDSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000392759350 387281506 /nfs/dbraw/zinc/28/15/06/387281506.db2.gz KAQUEXZTZLNOAW-QWHCGFSZSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000392759350 387281512 /nfs/dbraw/zinc/28/15/12/387281512.db2.gz KAQUEXZTZLNOAW-QWHCGFSZSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362075066 387568696 /nfs/dbraw/zinc/56/86/96/387568696.db2.gz CGPKROBTJWRGMI-ZIAGYGMSSA-N 2 1 235.375 0.577 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362075066 387568700 /nfs/dbraw/zinc/56/87/00/387568700.db2.gz CGPKROBTJWRGMI-ZIAGYGMSSA-N 2 1 235.375 0.577 20 30 BCEDMP C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])nn1 ZINC000424368834 387994243 /nfs/dbraw/zinc/99/42/43/387994243.db2.gz BWOMFEJVQUOGLQ-CMPLNLGQSA-N 2 1 235.335 0.681 20 30 BCEDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000446756458 388037726 /nfs/dbraw/zinc/03/77/26/388037726.db2.gz IPLLDMSTYDCCBA-UPJWGTAASA-N 2 1 237.347 0.725 20 30 BCEDMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000446756458 388037729 /nfs/dbraw/zinc/03/77/29/388037729.db2.gz IPLLDMSTYDCCBA-UPJWGTAASA-N 2 1 237.347 0.725 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)N(C)C ZINC000491566976 388304169 /nfs/dbraw/zinc/30/41/69/388304169.db2.gz IZTOHQUBSYCYBA-GFCCVEGCSA-N 2 1 239.363 0.398 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)N(C)C ZINC000491566976 388304170 /nfs/dbraw/zinc/30/41/70/388304170.db2.gz IZTOHQUBSYCYBA-GFCCVEGCSA-N 2 1 239.363 0.398 20 30 BCEDMP C#C[C@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000491695827 388311718 /nfs/dbraw/zinc/31/17/18/388311718.db2.gz CVLCRSWCEBDKBX-LBPRGKRZSA-N 2 1 208.305 0.320 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cn1cccn1 ZINC000491071207 388267932 /nfs/dbraw/zinc/26/79/32/388267932.db2.gz IMNFPTLFNBSYLZ-ZDUSSCGKSA-N 2 1 234.347 0.816 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cn1cccn1 ZINC000491071207 388267936 /nfs/dbraw/zinc/26/79/36/388267936.db2.gz IMNFPTLFNBSYLZ-ZDUSSCGKSA-N 2 1 234.347 0.816 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)COC ZINC000328175306 388581405 /nfs/dbraw/zinc/58/14/05/388581405.db2.gz LQXYCQSHMWVEPA-GFCCVEGCSA-N 2 1 212.337 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)COC ZINC000328175306 388581408 /nfs/dbraw/zinc/58/14/08/388581408.db2.gz LQXYCQSHMWVEPA-GFCCVEGCSA-N 2 1 212.337 0.956 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)COCC ZINC000328180612 388581840 /nfs/dbraw/zinc/58/18/40/388581840.db2.gz NDBOOCSIDGFFGO-LBPRGKRZSA-N 2 1 212.337 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)COCC ZINC000328180612 388581841 /nfs/dbraw/zinc/58/18/41/388581841.db2.gz NDBOOCSIDGFFGO-LBPRGKRZSA-N 2 1 212.337 0.956 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000565775735 388969131 /nfs/dbraw/zinc/96/91/31/388969131.db2.gz VZXSIWCLKXDKBQ-NEPJUHHUSA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000565775735 388969133 /nfs/dbraw/zinc/96/91/33/388969133.db2.gz VZXSIWCLKXDKBQ-NEPJUHHUSA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000565950502 388980229 /nfs/dbraw/zinc/98/02/29/388980229.db2.gz GCQSYAQYDBGZSL-AAEUAGOBSA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000565950502 388980232 /nfs/dbraw/zinc/98/02/32/388980232.db2.gz GCQSYAQYDBGZSL-AAEUAGOBSA-N 2 1 237.347 0.444 20 30 BCEDMP C#C[C@H](CC)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000262546613 533299382 /nfs/dbraw/zinc/29/93/82/533299382.db2.gz STOTUXZIRRWNMM-NEPJUHHUSA-N 2 1 236.363 0.787 20 30 BCEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1 ZINC000262001049 533510569 /nfs/dbraw/zinc/51/05/69/533510569.db2.gz PSQJOMLJLQLMJA-NSHDSACASA-N 2 1 224.352 0.809 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375900419 134241138 /nfs/dbraw/zinc/24/11/38/134241138.db2.gz GRCMVWDNFOJXJZ-CQSZACIVSA-N 2 1 235.375 0.720 20 30 BCEDMP C#CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378314684 134245951 /nfs/dbraw/zinc/24/59/51/134245951.db2.gz HWBMJWOAMJNPEA-LSDHHAIUSA-N 2 1 249.402 0.968 20 30 BCEDMP CC#CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000262027754 135114436 /nfs/dbraw/zinc/11/44/36/135114436.db2.gz NSIXKSKLMDPWJK-NSHDSACASA-N 2 1 222.336 0.398 20 30 BCEDMP C=CCNC(NC[C@@H]1CCC[N@H+]1C)=[NH+]C ZINC000262949352 135123418 /nfs/dbraw/zinc/12/34/18/135123418.db2.gz BMQDYUWXKYUZPR-JTQLQIEISA-N 2 1 210.325 0.432 20 30 BCEDMP C[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+](C)C ZINC000264079701 135131801 /nfs/dbraw/zinc/13/18/01/135131801.db2.gz GVUVVAZPULKZQA-VIFPVBQESA-N 2 1 221.308 0.758 20 30 BCEDMP CCNC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264130689 135134900 /nfs/dbraw/zinc/13/49/00/135134900.db2.gz XYHHKSINOAROLZ-UHFFFAOYSA-N 2 1 209.297 0.506 20 30 BCEDMP CC[N@H+]1CC[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000261534328 135166713 /nfs/dbraw/zinc/16/67/13/135166713.db2.gz MALDPCGPYMGPGY-ZJUUUORDSA-N 2 1 210.325 0.266 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261585818 135226993 /nfs/dbraw/zinc/22/69/93/135226993.db2.gz QQMKMLFVHOKBGV-CMPLNLGQSA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261585818 135226995 /nfs/dbraw/zinc/22/69/95/135226995.db2.gz QQMKMLFVHOKBGV-CMPLNLGQSA-N 2 1 225.336 0.348 20 30 BCEDMP C[NH+]=C(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)N(C)C ZINC000261945097 135264986 /nfs/dbraw/zinc/26/49/86/135264986.db2.gz FPISRDULRZCRHX-GXSJLCMTSA-N 2 1 224.352 0.606 20 30 BCEDMP [NH2+]=C(NC1CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262404689 135295338 /nfs/dbraw/zinc/29/53/38/135295338.db2.gz AWECRHJMLDJFGR-SECBINFHSA-N 2 1 219.292 0.265 20 30 BCEDMP C[C@H]1CCCC[N@H+]1CCNC1=[NH+]CCN1C ZINC000262472913 135301197 /nfs/dbraw/zinc/30/11/97/135301197.db2.gz BNXCAOWCAPLPKK-NSHDSACASA-N 2 1 224.352 0.752 20 30 BCEDMP C[C@H]1C[NH+]=C(NCC[N@H+]2CC=CCC2)N1 ZINC000262666564 135312489 /nfs/dbraw/zinc/31/24/89/135312489.db2.gz OZDTUZWMIWRFIZ-JTQLQIEISA-N 2 1 208.309 0.186 20 30 BCEDMP C[C@H]1C[NH+]=C(NCC[N@@H+]2CC=CCC2)N1 ZINC000262666564 135312490 /nfs/dbraw/zinc/31/24/90/135312490.db2.gz OZDTUZWMIWRFIZ-JTQLQIEISA-N 2 1 208.309 0.186 20 30 BCEDMP C[NH+]=C(NC1CC1)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000262737609 135316713 /nfs/dbraw/zinc/31/67/13/135316713.db2.gz CXNVYFVVPHLSIZ-LLVKDONJSA-N 2 1 240.351 0.035 20 30 BCEDMP C[NH+]=C(NC1CC1)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000262737609 135316715 /nfs/dbraw/zinc/31/67/15/135316715.db2.gz CXNVYFVVPHLSIZ-LLVKDONJSA-N 2 1 240.351 0.035 20 30 BCEDMP CN1CC[NH+]=C1NCC[C@H]1CCC[N@@H+](C)C1 ZINC000263142030 135335590 /nfs/dbraw/zinc/33/55/90/135335590.db2.gz OITRDWCBABHWOI-LLVKDONJSA-N 2 1 224.352 0.609 20 30 BCEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(N)=O)CC1 ZINC000346102573 135913992 /nfs/dbraw/zinc/91/39/92/135913992.db2.gz ONUFDTAQQFPMOP-LLVKDONJSA-N 2 1 239.363 0.880 20 30 BCEDMP C#CCN(C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000491763373 398065361 /nfs/dbraw/zinc/06/53/61/398065361.db2.gz ACPNFIAMZGFJGA-CYBMUJFWSA-N 2 1 222.332 0.539 20 30 BCEDMP C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000491670996 398058740 /nfs/dbraw/zinc/05/87/40/398058740.db2.gz WBOSCDDDURRINQ-JHJVBQTASA-N 2 1 222.332 0.709 20 30 BCEDMP CC#CC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363466969 398120376 /nfs/dbraw/zinc/12/03/76/398120376.db2.gz IJHIBLQRKGBSIO-HNNXBMFYSA-N 2 1 249.402 0.969 20 30 BCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393824865 487587668 /nfs/dbraw/zinc/58/76/68/487587668.db2.gz FUHLLUHKPWNPAR-AAEUAGOBSA-N 2 1 237.347 0.349 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000393824865 487587671 /nfs/dbraw/zinc/58/76/71/487587671.db2.gz FUHLLUHKPWNPAR-AAEUAGOBSA-N 2 1 237.347 0.349 20 30 BCEDMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152513 411132403 /nfs/dbraw/zinc/13/24/03/411132403.db2.gz YLWXJOCGDPGKJJ-CYBMUJFWSA-N 2 1 248.330 0.932 20 30 BCEDMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152513 411132405 /nfs/dbraw/zinc/13/24/05/411132405.db2.gz YLWXJOCGDPGKJJ-CYBMUJFWSA-N 2 1 248.330 0.932 20 30 BCEDMP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C#N ZINC000359700794 173165160 /nfs/dbraw/zinc/16/51/60/173165160.db2.gz QGBBZVNXTKDEQV-ZDUSSCGKSA-N 2 1 248.330 0.053 20 30 BCEDMP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C#N ZINC000359700794 173165164 /nfs/dbraw/zinc/16/51/64/173165164.db2.gz QGBBZVNXTKDEQV-ZDUSSCGKSA-N 2 1 248.330 0.053 20 30 BCEDMP NC(=[NH2+])NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000038173769 487673270 /nfs/dbraw/zinc/67/32/70/487673270.db2.gz QPFFCQFVLYWCRU-NSHDSACASA-N 2 1 218.304 0.534 20 30 BCEDMP NC(=[NH2+])NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000038173769 487673276 /nfs/dbraw/zinc/67/32/76/487673276.db2.gz QPFFCQFVLYWCRU-NSHDSACASA-N 2 1 218.304 0.534 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397487041 323020445 /nfs/dbraw/zinc/02/04/45/323020445.db2.gz VWWWXCXTQYAWKU-SRVKXCTJSA-N 2 1 239.363 0.594 20 30 BCEDMP C=CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397487041 323020446 /nfs/dbraw/zinc/02/04/46/323020446.db2.gz VWWWXCXTQYAWKU-SRVKXCTJSA-N 2 1 239.363 0.594 20 30 BCEDMP C=CCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566571958 326065902 /nfs/dbraw/zinc/06/59/02/326065902.db2.gz IBSVDTFWBNFYAL-WDEREUQCSA-N 2 1 223.320 0.196 20 30 BCEDMP COCC#CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000677817025 487505901 /nfs/dbraw/zinc/50/59/01/487505901.db2.gz FJVVWRXYOYIXBZ-ZDUSSCGKSA-N 2 1 224.348 0.910 20 30 BCEDMP C=C[C@@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000308968686 534538973 /nfs/dbraw/zinc/53/89/73/534538973.db2.gz XPOOEPXRFXIGKU-NSHDSACASA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000304628039 534719672 /nfs/dbraw/zinc/71/96/72/534719672.db2.gz VBEPWXHQZTUJOD-ZDUSSCGKSA-N 2 1 223.364 0.932 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000261993092 535548742 /nfs/dbraw/zinc/54/87/42/535548742.db2.gz MXHSKQOVQANACJ-GMTAPVOTSA-N 2 1 224.352 0.783 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000261993088 535548873 /nfs/dbraw/zinc/54/88/73/535548873.db2.gz MXHSKQOVQANACJ-AXFHLTTASA-N 2 1 224.352 0.783 20 30 BCEDMP CN1CCC[NH+]=C1NCC1([NH+](C)C)CC1 ZINC000263095857 536111406 /nfs/dbraw/zinc/11/14/06/536111406.db2.gz JJEDTFCCLJRQHW-UHFFFAOYSA-N 2 1 210.325 0.362 20 30 BCEDMP COCC[N@H+](C)CC[NH+]=C(N(C)C)N(C)C ZINC000104183621 583159568 /nfs/dbraw/zinc/15/95/68/583159568.db2.gz NYWINOCQKKCXLI-UHFFFAOYSA-N 2 1 230.356 0.044 20 30 BCEDMP COCC[N@@H+](C)CC[NH+]=C(N(C)C)N(C)C ZINC000104183621 583159571 /nfs/dbraw/zinc/15/95/71/583159571.db2.gz NYWINOCQKKCXLI-UHFFFAOYSA-N 2 1 230.356 0.044 20 30 BCEDMP C#C[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878516170 583378525 /nfs/dbraw/zinc/37/85/25/583378525.db2.gz AAVWCOQLUVYHHG-NSHDSACASA-N 2 1 237.347 0.150 20 30 BCEDMP C#C[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878516170 583378527 /nfs/dbraw/zinc/37/85/27/583378527.db2.gz AAVWCOQLUVYHHG-NSHDSACASA-N 2 1 237.347 0.150 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880140892 583472428 /nfs/dbraw/zinc/47/24/28/583472428.db2.gz FCWBEJOVUILMKG-CHWSQXEVSA-N 2 1 222.332 0.805 20 30 BCEDMP C#CCOCCN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880140892 583472430 /nfs/dbraw/zinc/47/24/30/583472430.db2.gz FCWBEJOVUILMKG-CHWSQXEVSA-N 2 1 222.332 0.805 20 30 BCEDMP C#CCOCCN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880140892 583472431 /nfs/dbraw/zinc/47/24/31/583472431.db2.gz FCWBEJOVUILMKG-CHWSQXEVSA-N 2 1 222.332 0.805 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000730104281 584123944 /nfs/dbraw/zinc/12/39/44/584123944.db2.gz QCFDMFZREWVLJW-ZDUSSCGKSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000730104281 584123945 /nfs/dbraw/zinc/12/39/45/584123945.db2.gz QCFDMFZREWVLJW-ZDUSSCGKSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]c(CO)c1 ZINC000858555728 588965142 /nfs/dbraw/zinc/96/51/42/588965142.db2.gz PHHQROQCIPYKDS-UHFFFAOYSA-N 2 1 233.315 0.941 20 30 BCEDMP C=CCC[C@H](O)C[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000903809831 584803629 /nfs/dbraw/zinc/80/36/29/584803629.db2.gz MYIZNLOISREEID-LBPRGKRZSA-N 2 1 242.363 0.753 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ncc[nH]1 ZINC000733955598 584955477 /nfs/dbraw/zinc/95/54/77/584955477.db2.gz KRJBALIIJFXPME-JTQLQIEISA-N 2 1 232.287 0.124 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ncc[nH]1 ZINC000733955598 584955478 /nfs/dbraw/zinc/95/54/78/584955478.db2.gz KRJBALIIJFXPME-JTQLQIEISA-N 2 1 232.287 0.124 20 30 BCEDMP C=CCNC(NC[C@@H]1CC[N@@H+](C)C1)=[NH+]C ZINC000103902249 585016517 /nfs/dbraw/zinc/01/65/17/585016517.db2.gz MGMCLOPJCCZSBB-JTQLQIEISA-N 2 1 210.325 0.289 20 30 BCEDMP CC(C)[N@@H+]1CC(=NN2CCN(C)CC2)[C@@H](C)C1 ZINC000754255655 585281144 /nfs/dbraw/zinc/28/11/44/585281144.db2.gz RERCLZNYZMANBV-LBPRGKRZSA-N 2 1 238.379 0.950 20 30 BCEDMP CC(C)N1CC(=NN2CCN(C)CC2)[C@@H](C)C1 ZINC000754255655 585281145 /nfs/dbraw/zinc/28/11/45/585281145.db2.gz RERCLZNYZMANBV-LBPRGKRZSA-N 2 1 238.379 0.950 20 30 BCEDMP C#CCCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778950314 585742545 /nfs/dbraw/zinc/74/25/45/585742545.db2.gz IJZWFQRPEARWNZ-UHFFFAOYSA-N 2 1 237.391 0.969 20 30 BCEDMP C[C@@H]1CNC(NN=C2CCC[N@@H+](C)CC2)=[NH+]1 ZINC000779792008 585763853 /nfs/dbraw/zinc/76/38/53/585763853.db2.gz HOYYKEGQSJHFCI-SECBINFHSA-N 2 1 223.324 0.395 20 30 BCEDMP C#CC[C@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000821207650 587101675 /nfs/dbraw/zinc/10/16/75/587101675.db2.gz WSENTRVICDOZLP-GFCCVEGCSA-N 2 1 233.315 0.621 20 30 BCEDMP CC[N@@H+]1CCC(N=NC2=[NH+]CCN2)[C@H](C)C1 ZINC000841660100 587969382 /nfs/dbraw/zinc/96/93/82/587969382.db2.gz VCIUFALFRFKIOM-SECBINFHSA-N 2 1 223.324 0.253 20 30 BCEDMP CC[N@H+]1CCC(N=NC2=[NH+]CCN2)[C@H](C)C1 ZINC000841660100 587969383 /nfs/dbraw/zinc/96/93/83/587969383.db2.gz VCIUFALFRFKIOM-SECBINFHSA-N 2 1 223.324 0.253 20 30 BCEDMP C[C@H]1CNC(NN=C2CCC[N@H+]3CCCC[C@@H]23)=[NH+]1 ZINC000848408209 588379101 /nfs/dbraw/zinc/37/91/01/588379101.db2.gz GUUOYFFOXCAZJO-JQWIXIFHSA-N 2 1 249.362 0.928 20 30 BCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC1CC1 ZINC000848992497 588427975 /nfs/dbraw/zinc/42/79/75/588427975.db2.gz DRFJEUDFCKUSQY-JTQLQIEISA-N 2 1 236.363 0.798 20 30 BCEDMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)NC1CC1 ZINC000849001685 588431166 /nfs/dbraw/zinc/43/11/66/588431166.db2.gz QPFATIVERPNBAY-VIFPVBQESA-N 2 1 224.352 0.797 20 30 BCEDMP CNC(NC[C@@H]1CCCC[N@H+]1C1CC1)=[NH+]C ZINC000849023216 588439549 /nfs/dbraw/zinc/43/95/49/588439549.db2.gz YXFSRQAFUBSEDW-NSHDSACASA-N 2 1 224.352 0.798 20 30 BCEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NC(C)C)C1 ZINC000120485688 589421709 /nfs/dbraw/zinc/42/17/09/589421709.db2.gz SOEIMVHUHNHCQV-JTQLQIEISA-N 2 1 212.341 0.641 20 30 BCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000876733458 590234193 /nfs/dbraw/zinc/23/41/93/590234193.db2.gz YIASFFHFKNLRNZ-UWVGGRQHSA-N 2 1 245.754 0.667 20 30 BCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000876733627 590234673 /nfs/dbraw/zinc/23/46/73/590234673.db2.gz CYFSORWFUUVVHG-NXEZZACHSA-N 2 1 245.754 0.667 20 30 BCEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879577897 590802739 /nfs/dbraw/zinc/80/27/39/590802739.db2.gz NSDLAIYTTUWWFA-XQQFMLRXSA-N 2 1 224.348 0.949 20 30 BCEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879577897 590802742 /nfs/dbraw/zinc/80/27/42/590802742.db2.gz NSDLAIYTTUWWFA-XQQFMLRXSA-N 2 1 224.348 0.949 20 30 BCEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879577897 590802744 /nfs/dbraw/zinc/80/27/44/590802744.db2.gz NSDLAIYTTUWWFA-XQQFMLRXSA-N 2 1 224.348 0.949 20 30 BCEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879577897 590802748 /nfs/dbraw/zinc/80/27/48/590802748.db2.gz NSDLAIYTTUWWFA-XQQFMLRXSA-N 2 1 224.348 0.949 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000883131180 591547395 /nfs/dbraw/zinc/54/73/95/591547395.db2.gz LUWGJYMOPCOMBI-UHFFFAOYSA-N 2 1 233.315 0.832 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000883131180 591547396 /nfs/dbraw/zinc/54/73/96/591547396.db2.gz LUWGJYMOPCOMBI-UHFFFAOYSA-N 2 1 233.315 0.832 20 30 BCEDMP Cc1cc(NCC[N@@H+](C)CCO)c(C#N)cn1 ZINC000884826169 592017725 /nfs/dbraw/zinc/01/77/25/592017725.db2.gz MKUFZNCANIILDB-UHFFFAOYSA-N 2 1 234.303 0.020 20 30 BCEDMP C#CCN1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000886213555 592178343 /nfs/dbraw/zinc/17/83/43/592178343.db2.gz VWRORPTVBUAUTO-AWEZNQCLSA-N 2 1 235.375 0.768 20 30 BCEDMP C#CC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000886365742 592219964 /nfs/dbraw/zinc/21/99/64/592219964.db2.gz OQVRMULCMRFLKA-GXTWGEPZSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000886365742 592219967 /nfs/dbraw/zinc/21/99/67/592219967.db2.gz OQVRMULCMRFLKA-GXTWGEPZSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000886365742 592219969 /nfs/dbraw/zinc/21/99/69/592219969.db2.gz OQVRMULCMRFLKA-GXTWGEPZSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000886365742 592219971 /nfs/dbraw/zinc/21/99/71/592219971.db2.gz OQVRMULCMRFLKA-GXTWGEPZSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000886365745 592220140 /nfs/dbraw/zinc/22/01/40/592220140.db2.gz OQVRMULCMRFLKA-TZMCWYRMSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000886365745 592220141 /nfs/dbraw/zinc/22/01/41/592220141.db2.gz OQVRMULCMRFLKA-TZMCWYRMSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000886365745 592220143 /nfs/dbraw/zinc/22/01/43/592220143.db2.gz OQVRMULCMRFLKA-TZMCWYRMSA-N 2 1 236.359 0.787 20 30 BCEDMP C#CC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000886365745 592220144 /nfs/dbraw/zinc/22/01/44/592220144.db2.gz OQVRMULCMRFLKA-TZMCWYRMSA-N 2 1 236.359 0.787 20 30 BCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC1CC1 ZINC000103337554 592579231 /nfs/dbraw/zinc/57/92/31/592579231.db2.gz CRWWTGDDHSVBMC-VIFPVBQESA-N 2 1 210.325 0.266 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCOCC1 ZINC000104153955 592602230 /nfs/dbraw/zinc/60/22/30/592602230.db2.gz QUJBKEXSIGNVCQ-LLVKDONJSA-N 2 1 240.351 0.118 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1COCC1(C)C ZINC000313022816 634439362 /nfs/dbraw/zinc/43/93/62/634439362.db2.gz DUTGZJNHLLEHQG-GFCCVEGCSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1COCC1(C)C ZINC000313022816 634439367 /nfs/dbraw/zinc/43/93/67/634439367.db2.gz DUTGZJNHLLEHQG-GFCCVEGCSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000178586226 635534396 /nfs/dbraw/zinc/53/43/96/635534396.db2.gz PDZXMBUPWTYQMW-GFCCVEGCSA-N 2 1 236.363 0.788 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001022437004 631554623 /nfs/dbraw/zinc/55/46/23/631554623.db2.gz SVUQMMUOVYRYMC-TXEJJXNPSA-N 2 1 246.314 0.062 20 30 BCEDMP C#CCCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309097623 631881385 /nfs/dbraw/zinc/88/13/85/631881385.db2.gz HLXZRUNZWHNXAY-GFCCVEGCSA-N 2 1 210.321 0.445 20 30 BCEDMP C#CCCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309097623 631881388 /nfs/dbraw/zinc/88/13/88/631881388.db2.gz HLXZRUNZWHNXAY-GFCCVEGCSA-N 2 1 210.321 0.445 20 30 BCEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001023091402 632129294 /nfs/dbraw/zinc/12/92/94/632129294.db2.gz YOEFNHBCGGALLA-TXEJJXNPSA-N 2 1 248.330 0.614 20 30 BCEDMP CNC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157364279 632429078 /nfs/dbraw/zinc/42/90/78/632429078.db2.gz CCWDSJSIGIRUBI-LLVKDONJSA-N 2 1 226.368 0.889 20 30 BCEDMP C[C@H](C#N)OCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000310317168 632716906 /nfs/dbraw/zinc/71/69/06/632716906.db2.gz GAODGDGVGNPHNT-FRRDWIJNSA-N 2 1 237.347 0.799 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000310317168 632716910 /nfs/dbraw/zinc/71/69/10/632716910.db2.gz GAODGDGVGNPHNT-FRRDWIJNSA-N 2 1 237.347 0.799 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000310317168 632716915 /nfs/dbraw/zinc/71/69/15/632716915.db2.gz GAODGDGVGNPHNT-FRRDWIJNSA-N 2 1 237.347 0.799 20 30 BCEDMP CCNC(NCCC[NH+]1CCOCC1)=[NH+]CC ZINC000066244930 632859542 /nfs/dbraw/zinc/85/95/42/632859542.db2.gz BXMXZWMEXQILEU-UHFFFAOYSA-N 2 1 242.367 0.284 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928427608 635904997 /nfs/dbraw/zinc/90/49/97/635904997.db2.gz KDWZSCIJTADEMA-VXGBXAGGSA-N 2 1 239.363 0.703 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928445081 635949026 /nfs/dbraw/zinc/94/90/26/635949026.db2.gz WQCUSOCQQMNZBH-GHMZBOCLSA-N 2 1 225.336 0.313 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](C)COC ZINC000328193630 633742577 /nfs/dbraw/zinc/74/25/77/633742577.db2.gz QTBYTNVAHZGTRY-GFCCVEGCSA-N 2 1 212.337 0.814 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](C)COC ZINC000328193630 633742581 /nfs/dbraw/zinc/74/25/81/633742581.db2.gz QTBYTNVAHZGTRY-GFCCVEGCSA-N 2 1 212.337 0.814 20 30 BCEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925609212 634146181 /nfs/dbraw/zinc/14/61/81/634146181.db2.gz QOPPBABYQGMADF-DGCLKSJQSA-N 2 1 236.363 0.704 20 30 BCEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000194684449 634328917 /nfs/dbraw/zinc/32/89/17/634328917.db2.gz XASJPWGERLNUKX-ZJUUUORDSA-N 2 1 212.341 0.641 20 30 BCEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980407155 635220264 /nfs/dbraw/zinc/22/02/64/635220264.db2.gz WEWBSBTZMYRJGD-ZDUSSCGKSA-N 2 1 249.358 0.248 20 30 BCEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)COC)C1 ZINC000303886116 636311626 /nfs/dbraw/zinc/31/16/26/636311626.db2.gz KBZSVQCEBOBFCS-QWRGUYRKSA-N 2 1 242.367 0.267 20 30 BCEDMP C#CC[NH2+]CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000911788565 639805825 /nfs/dbraw/zinc/80/58/25/639805825.db2.gz BGKPLPWHBXYXPX-UHFFFAOYSA-N 2 1 243.310 0.494 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000732306379 641829224 /nfs/dbraw/zinc/82/92/24/641829224.db2.gz PHKUAQBSGJTYQB-LBPRGKRZSA-N 2 1 237.347 0.152 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000732306379 641829225 /nfs/dbraw/zinc/82/92/25/641829225.db2.gz PHKUAQBSGJTYQB-LBPRGKRZSA-N 2 1 237.347 0.152 20 30 BCEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010381845 642861505 /nfs/dbraw/zinc/86/15/05/642861505.db2.gz DFDURQWITNOMDZ-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010381845 642861508 /nfs/dbraw/zinc/86/15/08/642861508.db2.gz DFDURQWITNOMDZ-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010381845 642861513 /nfs/dbraw/zinc/86/15/13/642861513.db2.gz DFDURQWITNOMDZ-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649773 642916686 /nfs/dbraw/zinc/91/66/86/642916686.db2.gz ZNVVICKXYWRUGW-ZDUSSCGKSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649773 642916707 /nfs/dbraw/zinc/91/67/07/642916707.db2.gz ZNVVICKXYWRUGW-ZDUSSCGKSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015709360 642923445 /nfs/dbraw/zinc/92/34/45/642923445.db2.gz UWBOEUSUUMFDMH-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001015709360 642923452 /nfs/dbraw/zinc/92/34/52/642923452.db2.gz UWBOEUSUUMFDMH-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015709360 642923459 /nfs/dbraw/zinc/92/34/59/642923459.db2.gz UWBOEUSUUMFDMH-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001015709360 642923466 /nfs/dbraw/zinc/92/34/66/642923466.db2.gz UWBOEUSUUMFDMH-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015701893 642926787 /nfs/dbraw/zinc/92/67/87/642926787.db2.gz KGFSMZZRZNPAEY-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001015701893 642926800 /nfs/dbraw/zinc/92/68/00/642926800.db2.gz KGFSMZZRZNPAEY-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015701893 642926814 /nfs/dbraw/zinc/92/68/14/642926814.db2.gz KGFSMZZRZNPAEY-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001015701893 642926820 /nfs/dbraw/zinc/92/68/20/642926820.db2.gz KGFSMZZRZNPAEY-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016256951 642952823 /nfs/dbraw/zinc/95/28/23/642952823.db2.gz TXAPAFJHEVLHCO-VXGBXAGGSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016256951 642952827 /nfs/dbraw/zinc/95/28/27/642952827.db2.gz TXAPAFJHEVLHCO-VXGBXAGGSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016256951 642952836 /nfs/dbraw/zinc/95/28/36/642952836.db2.gz TXAPAFJHEVLHCO-VXGBXAGGSA-N 2 1 237.347 0.315 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001020301344 643064795 /nfs/dbraw/zinc/06/47/95/643064795.db2.gz YLZVOZKSKGDYEJ-AVGNSLFASA-N 2 1 249.358 0.341 20 30 BCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186540 643282078 /nfs/dbraw/zinc/28/20/78/643282078.db2.gz QNMCTJNXCGVRLQ-ZDUSSCGKSA-N 2 1 249.358 0.009 20 30 BCEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186540 643282089 /nfs/dbraw/zinc/28/20/89/643282089.db2.gz QNMCTJNXCGVRLQ-ZDUSSCGKSA-N 2 1 249.358 0.009 20 30 BCEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021047745 643395149 /nfs/dbraw/zinc/39/51/49/643395149.db2.gz NGTPTWDPXLOCGJ-IJLUTSLNSA-N 2 1 237.347 0.361 20 30 BCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970712475 643511155 /nfs/dbraw/zinc/51/11/55/643511155.db2.gz OZVKKBSHMTWXQF-NWDGAFQWSA-N 2 1 237.347 0.315 20 30 BCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970870566 643580352 /nfs/dbraw/zinc/58/03/52/643580352.db2.gz VCESBOMNRZZEKZ-NEPJUHHUSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970870566 643580356 /nfs/dbraw/zinc/58/03/56/643580356.db2.gz VCESBOMNRZZEKZ-NEPJUHHUSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997296740 643607941 /nfs/dbraw/zinc/60/79/41/643607941.db2.gz BRGQFGYIQUWKEX-GFCCVEGCSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998554903 643713282 /nfs/dbraw/zinc/71/32/82/643713282.db2.gz BUGSADGQEZPPDX-BPCQOVAHSA-N 2 1 249.358 0.293 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922147197 643871423 /nfs/dbraw/zinc/87/14/23/643871423.db2.gz MMSXVADKGURZQT-UHFFFAOYSA-N 2 1 233.315 0.832 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922147197 643871425 /nfs/dbraw/zinc/87/14/25/643871425.db2.gz MMSXVADKGURZQT-UHFFFAOYSA-N 2 1 233.315 0.832 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923332013 644360746 /nfs/dbraw/zinc/36/07/46/644360746.db2.gz NSOPEIWRLDJERX-UTUOFQBUSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000923378974 644391334 /nfs/dbraw/zinc/39/13/34/644391334.db2.gz MFMHEUQWKKMUJT-VXGBXAGGSA-N 2 1 228.336 0.363 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000923410802 644412480 /nfs/dbraw/zinc/41/24/80/644412480.db2.gz JQXNOEZHVCPBAP-AVGNSLFASA-N 2 1 242.363 0.752 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000923410802 644412482 /nfs/dbraw/zinc/41/24/82/644412482.db2.gz JQXNOEZHVCPBAP-AVGNSLFASA-N 2 1 242.363 0.752 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923426767 644422904 /nfs/dbraw/zinc/42/29/04/644422904.db2.gz QLMFMTDMMQKFQM-RWMBFGLXSA-N 2 1 224.348 0.855 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516024 644480848 /nfs/dbraw/zinc/48/08/48/644480848.db2.gz RGSAKOMSKFMFFO-YNEHKIRRSA-N 2 1 224.348 0.855 20 30 BCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000923556930 644501156 /nfs/dbraw/zinc/50/11/56/644501156.db2.gz ZZYRXHZXPMJFBT-RYUDHWBXSA-N 2 1 237.347 0.150 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000923556930 644501161 /nfs/dbraw/zinc/50/11/61/644501161.db2.gz ZZYRXHZXPMJFBT-RYUDHWBXSA-N 2 1 237.347 0.150 20 30 BCEDMP C=CCN1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000957653346 644746737 /nfs/dbraw/zinc/74/67/37/644746737.db2.gz RXQBWFQGSAVJSH-GFCCVEGCSA-N 2 1 237.347 0.268 20 30 BCEDMP CCNC(NC[C@@H]1CC[N@@H+](C)C1)=[NH+]CC ZINC000303253530 644811379 /nfs/dbraw/zinc/81/13/79/644811379.db2.gz CYMMTBFXGWBRBC-JTQLQIEISA-N 2 1 212.341 0.513 20 30 BCEDMP CNC(NC[C@H](C)[N@H+]1CCC[C@H](C)C1)=[NH+]C ZINC000303261228 644813092 /nfs/dbraw/zinc/81/30/92/644813092.db2.gz ODNRUCRYHQNWBJ-QWRGUYRKSA-N 2 1 226.368 0.902 20 30 BCEDMP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000303890797 644854161 /nfs/dbraw/zinc/85/41/61/644854161.db2.gz MQWKIUKWJWSVRB-NSHDSACASA-N 2 1 226.368 0.889 20 30 BCEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000303901186 644855842 /nfs/dbraw/zinc/85/58/42/644855842.db2.gz SNPQVHOCWYVUCE-JTQLQIEISA-N 2 1 212.341 0.595 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253188123 644943100 /nfs/dbraw/zinc/94/31/00/644943100.db2.gz JPOWAACFWGUEQC-WDEREUQCSA-N 2 1 225.336 0.205 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253188123 644943105 /nfs/dbraw/zinc/94/31/05/644943105.db2.gz JPOWAACFWGUEQC-WDEREUQCSA-N 2 1 225.336 0.205 20 30 BCEDMP C[N@H+](C[C@H](O)CC#N)C[C@H]1CCC[NH+](C)C1 ZINC000929703411 646258693 /nfs/dbraw/zinc/25/86/93/646258693.db2.gz UGEXSIPZJWFXMN-NWDGAFQWSA-N 2 1 225.336 0.535 20 30 BCEDMP C[N@@H+](C[C@H](O)CC#N)C[C@H]1CCC[NH+](C)C1 ZINC000929703411 646258698 /nfs/dbraw/zinc/25/86/98/646258698.db2.gz UGEXSIPZJWFXMN-NWDGAFQWSA-N 2 1 225.336 0.535 20 30 BCEDMP C[NH+](C[C@H](O)CC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000929703411 646258701 /nfs/dbraw/zinc/25/87/01/646258701.db2.gz UGEXSIPZJWFXMN-NWDGAFQWSA-N 2 1 225.336 0.535 20 30 BCEDMP C[NH+](C[C@H](O)CC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000929703411 646258704 /nfs/dbraw/zinc/25/87/04/646258704.db2.gz UGEXSIPZJWFXMN-NWDGAFQWSA-N 2 1 225.336 0.535 20 30 BCEDMP C[N@H+](C[C@H](O)CC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000929703419 646259542 /nfs/dbraw/zinc/25/95/42/646259542.db2.gz UGEXSIPZJWFXMN-VXGBXAGGSA-N 2 1 225.336 0.535 20 30 BCEDMP C[N@@H+](C[C@H](O)CC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000929703419 646259545 /nfs/dbraw/zinc/25/95/45/646259545.db2.gz UGEXSIPZJWFXMN-VXGBXAGGSA-N 2 1 225.336 0.535 20 30 BCEDMP C[NH+](C[C@H](O)CC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000929703419 646259549 /nfs/dbraw/zinc/25/95/49/646259549.db2.gz UGEXSIPZJWFXMN-VXGBXAGGSA-N 2 1 225.336 0.535 20 30 BCEDMP C[NH+](C[C@H](O)CC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929703419 646259554 /nfs/dbraw/zinc/25/95/54/646259554.db2.gz UGEXSIPZJWFXMN-VXGBXAGGSA-N 2 1 225.336 0.535 20 30 BCEDMP C=CC[C@@H](CO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925630904 646376698 /nfs/dbraw/zinc/37/66/98/646376698.db2.gz SJCBXCJIDLYNMT-GHMZBOCLSA-N 2 1 212.337 0.901 20 30 BCEDMP CC[N@H+]1CC[C@H](N(C)C[C@H](O)CC#N)[C@H](C)C1 ZINC000929998480 646391215 /nfs/dbraw/zinc/39/12/15/646391215.db2.gz FHYDAPXOSGTRLM-UPJWGTAASA-N 2 1 239.363 0.923 20 30 BCEDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC#N)[C@H](C)C1 ZINC000929998480 646391220 /nfs/dbraw/zinc/39/12/20/646391220.db2.gz FHYDAPXOSGTRLM-UPJWGTAASA-N 2 1 239.363 0.923 20 30 BCEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CC#N)[C@H](C)C1 ZINC000929998480 646391234 /nfs/dbraw/zinc/39/12/34/646391234.db2.gz FHYDAPXOSGTRLM-UPJWGTAASA-N 2 1 239.363 0.923 20 30 BCEDMP C=C(C)C[C@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925772078 646472252 /nfs/dbraw/zinc/47/22/52/646472252.db2.gz PYQBGENJUODRJO-BSCCGWMCSA-N 2 1 236.359 0.900 20 30 BCEDMP N#Cc1ccc(NCC[NH2+][C@H]2CCC[C@H]2[NH3+])nc1 ZINC000925892985 646535699 /nfs/dbraw/zinc/53/56/99/646535699.db2.gz JDSIQJGNYYGXCI-NEPJUHHUSA-N 2 1 245.330 0.835 20 30 BCEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032945234 711969206 /nfs/dbraw/zinc/96/92/06/711969206.db2.gz OTRWRORIHXWSRQ-STQMWFEESA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032945234 711969208 /nfs/dbraw/zinc/96/92/08/711969208.db2.gz OTRWRORIHXWSRQ-STQMWFEESA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032945234 711969210 /nfs/dbraw/zinc/96/92/10/711969210.db2.gz OTRWRORIHXWSRQ-STQMWFEESA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032945234 711969213 /nfs/dbraw/zinc/96/92/13/711969213.db2.gz OTRWRORIHXWSRQ-STQMWFEESA-N 2 1 249.358 0.247 20 30 BCEDMP C=CC[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000714997031 712503639 /nfs/dbraw/zinc/50/36/39/712503639.db2.gz XRRRYDGMVCDGFV-STQMWFEESA-N 2 1 223.364 0.931 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC000715769014 712532436 /nfs/dbraw/zinc/53/24/36/712532436.db2.gz MKPLXYIBGQEOQP-UHFFFAOYSA-N 2 1 249.358 0.154 20 30 BCEDMP CC#CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000717728515 712667719 /nfs/dbraw/zinc/66/77/19/712667719.db2.gz OWOJYTFTFQNRFE-RLAWYHOSSA-N 2 1 236.359 0.976 20 30 BCEDMP CC#CC[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000717794627 712678090 /nfs/dbraw/zinc/67/80/90/712678090.db2.gz OTBFXVBTEBRBMF-GFCCVEGCSA-N 2 1 210.321 0.445 20 30 BCEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000717795726 712678344 /nfs/dbraw/zinc/67/83/44/712678344.db2.gz UUALOVDAGIRADL-QJPTWQEYSA-N 2 1 210.321 0.443 20 30 BCEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000717795726 712678345 /nfs/dbraw/zinc/67/83/45/712678345.db2.gz UUALOVDAGIRADL-QJPTWQEYSA-N 2 1 210.321 0.443 20 30 BCEDMP C=CC[C@H](CO)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423020276 398162752 /nfs/dbraw/zinc/16/27/52/398162752.db2.gz ZRBBVJYMBUNPDK-WOPDTQHZSA-N 2 1 212.337 0.759 20 30 BCEDMP C[C@H](CCC#N)C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000602612255 349636850 /nfs/dbraw/zinc/63/68/50/349636850.db2.gz ORBFNLMSSNVRLH-NEPJUHHUSA-N 2 1 225.336 0.582 20 30 BCEDMP C[C@H](CCC#N)C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000602612255 349636852 /nfs/dbraw/zinc/63/68/52/349636852.db2.gz ORBFNLMSSNVRLH-NEPJUHHUSA-N 2 1 225.336 0.582 20 30 BCEDMP C[N@H+]1CC[C@](O)(CNCc2cccc(C#N)n2)C1 ZINC000602611350 343934772 /nfs/dbraw/zinc/93/47/72/343934772.db2.gz KJWLFGVEOOWXRG-ZDUSSCGKSA-N 2 1 246.314 0.109 20 30 BCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802699 362762611 /nfs/dbraw/zinc/76/26/11/362762611.db2.gz ARFJACLYLVOCAW-LPEHRKFASA-N 2 1 225.336 0.393 20 30 BCEDMP C=CC[N@H+](C[C@@H](O)CN(C)CCOC)C1CC1 ZINC000563628366 323132378 /nfs/dbraw/zinc/13/23/78/323132378.db2.gz FIJWWGJVTFUQFL-ZDUSSCGKSA-N 2 1 242.363 0.576 20 30 BCEDMP C=CCN(C[C@@H](O)C[N@@H+](C)CCOC)C1CC1 ZINC000563628366 323132379 /nfs/dbraw/zinc/13/23/79/323132379.db2.gz FIJWWGJVTFUQFL-ZDUSSCGKSA-N 2 1 242.363 0.576 20 30 BCEDMP C=CCN(C[C@@H](O)C[N@H+](C)CCOC)C1CC1 ZINC000563628366 323132380 /nfs/dbraw/zinc/13/23/80/323132380.db2.gz FIJWWGJVTFUQFL-ZDUSSCGKSA-N 2 1 242.363 0.576 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H](C[NH3+])C[C@H]2C)C1=O ZINC000580327435 347150831 /nfs/dbraw/zinc/15/08/31/347150831.db2.gz LRZFRTBHVTZEGM-WOPDTQHZSA-N 2 1 237.347 0.442 20 30 BCEDMP C[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000592047394 347724333 /nfs/dbraw/zinc/72/43/33/347724333.db2.gz KZASWERCKAZXNC-WDEREUQCSA-N 2 1 238.335 0.218 20 30 BCEDMP Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)c(C#N)cn1 ZINC000599176030 349104109 /nfs/dbraw/zinc/10/41/09/349104109.db2.gz OUDQQRIQHKJOKA-GFCCVEGCSA-N 2 1 246.314 0.162 20 30 BCEDMP C=C[C@H](CO)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623574180 363003685 /nfs/dbraw/zinc/00/36/85/363003685.db2.gz GYTAYDURRIGACB-GHMZBOCLSA-N 2 1 212.337 0.996 20 30 BCEDMP C=C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623574180 363003690 /nfs/dbraw/zinc/00/36/90/363003690.db2.gz GYTAYDURRIGACB-GHMZBOCLSA-N 2 1 212.337 0.996 20 30 BCEDMP Cc1[nH+]ccn1CCCNC1=[NH+]C[C@H](C)N1 ZINC000284923646 352010229 /nfs/dbraw/zinc/01/02/29/352010229.db2.gz BYMPJHROBRVGLB-VIFPVBQESA-N 2 1 221.308 0.519 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170537 353255042 /nfs/dbraw/zinc/25/50/42/353255042.db2.gz QYXKUVZBZXDBEA-NWDGAFQWSA-N 2 1 239.363 0.738 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=O)/C=C/C[NH+](C)C ZINC000293937707 353765192 /nfs/dbraw/zinc/76/51/92/353765192.db2.gz ISBFORFLVUKKLJ-SOFGYWHQSA-N 2 1 237.347 0.176 20 30 BCEDMP C=CCCC[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000351640287 356040314 /nfs/dbraw/zinc/04/03/14/356040314.db2.gz GMQQZQAINBSSKO-UHFFFAOYSA-N 2 1 239.363 0.706 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000420309976 192210349 /nfs/dbraw/zinc/21/03/49/192210349.db2.gz PFGZGZHMRMANRS-RNJOBUHISA-N 2 1 249.358 0.442 20 30 BCEDMP C=CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762956 356687975 /nfs/dbraw/zinc/68/79/75/356687975.db2.gz OYJOTKOOGODISA-LBPRGKRZSA-N 2 1 212.337 0.951 20 30 BCEDMP C=CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762956 356687979 /nfs/dbraw/zinc/68/79/79/356687979.db2.gz OYJOTKOOGODISA-LBPRGKRZSA-N 2 1 212.337 0.951 20 30 BCEDMP CN(C)C(=[NH2+])NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000134507885 358793536 /nfs/dbraw/zinc/79/35/36/358793536.db2.gz AOZJBOFKZXGGLJ-GHMZBOCLSA-N 2 1 240.351 0.116 20 30 BCEDMP CN(C)C(=[NH2+])NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000134507885 358793539 /nfs/dbraw/zinc/79/35/39/358793539.db2.gz AOZJBOFKZXGGLJ-GHMZBOCLSA-N 2 1 240.351 0.116 20 30 BCEDMP C=CCCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000071276173 359075770 /nfs/dbraw/zinc/07/57/70/359075770.db2.gz PLYXKPRCNMHBMF-LBPRGKRZSA-N 2 1 239.363 0.740 20 30 BCEDMP C#CCNC(N[C@H]1CC[N@H+](C2CCCC2)C1)=[NH+]C ZINC000083512450 359796694 /nfs/dbraw/zinc/79/66/94/359796694.db2.gz FGBAXEKIWDWEBE-LBPRGKRZSA-N 2 1 248.374 0.802 20 30 BCEDMP C=CCCC[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566571957 326065720 /nfs/dbraw/zinc/06/57/20/326065720.db2.gz IBSVDTFWBNFYAL-QWRGUYRKSA-N 2 1 223.320 0.196 20 30 BCEDMP Cc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1C#N ZINC000600709814 369559615 /nfs/dbraw/zinc/55/96/15/369559615.db2.gz JVMJRWBKCDPNFQ-CYBMUJFWSA-N 2 1 233.315 0.618 20 30 BCEDMP Cc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1C#N ZINC000600709814 369559618 /nfs/dbraw/zinc/55/96/18/369559618.db2.gz JVMJRWBKCDPNFQ-CYBMUJFWSA-N 2 1 233.315 0.618 20 30 BCEDMP C#CCNC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367849813 384175728 /nfs/dbraw/zinc/17/57/28/384175728.db2.gz ZIGYTJYBIGKZRW-OCCSQVGLSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCCNC(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261955249 533044251 /nfs/dbraw/zinc/04/42/51/533044251.db2.gz IOPJKVJVSNHNLP-DGCLKSJQSA-N 2 1 248.374 0.657 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069626848 384246185 /nfs/dbraw/zinc/24/61/85/384246185.db2.gz HUDMRRVTIVKKFA-MNOVXSKESA-N 2 1 225.336 0.348 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069626848 384246189 /nfs/dbraw/zinc/24/61/89/384246189.db2.gz HUDMRRVTIVKKFA-MNOVXSKESA-N 2 1 225.336 0.348 20 30 BCEDMP CNC(NCC[N@@H+]1CCc2ccccc2C1)=[NH+]C ZINC000161493285 384496123 /nfs/dbraw/zinc/49/61/23/384496123.db2.gz NLMNJLMPBSMGLI-UHFFFAOYSA-N 2 1 246.358 0.840 20 30 BCEDMP CNC(NCC[N@H+]1CCc2ccccc2C1)=[NH+]C ZINC000161493285 384496125 /nfs/dbraw/zinc/49/61/25/384496125.db2.gz NLMNJLMPBSMGLI-UHFFFAOYSA-N 2 1 246.358 0.840 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+](C)CCC[NH3+])C1=O ZINC000647847163 385897328 /nfs/dbraw/zinc/89/73/28/385897328.db2.gz CWDAIYLZWJREOW-SNVBAGLBSA-N 2 1 211.309 0.054 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCC[NH3+])C1=O ZINC000647847163 385897330 /nfs/dbraw/zinc/89/73/30/385897330.db2.gz CWDAIYLZWJREOW-SNVBAGLBSA-N 2 1 211.309 0.054 20 30 BCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COC)CC1 ZINC000515234249 387352026 /nfs/dbraw/zinc/35/20/26/387352026.db2.gz DWEOYBROKRSJSA-ZDUSSCGKSA-N 2 1 242.363 0.624 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638118 135092137 /nfs/dbraw/zinc/09/21/37/135092137.db2.gz ZQXIDHHHWDHLSM-SNVBAGLBSA-N 2 1 227.352 0.594 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638118 135092140 /nfs/dbraw/zinc/09/21/40/135092140.db2.gz ZQXIDHHHWDHLSM-SNVBAGLBSA-N 2 1 227.352 0.594 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NCC1CCC1 ZINC000491484580 388298196 /nfs/dbraw/zinc/29/81/96/388298196.db2.gz JMEFBKIEGICONB-UHFFFAOYSA-N 2 1 236.363 0.856 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1cnccn1 ZINC000491555039 388303701 /nfs/dbraw/zinc/30/37/01/388303701.db2.gz OEQWIQFWVCZXHX-ZDUSSCGKSA-N 2 1 246.358 0.952 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1cnccn1 ZINC000491555039 388303702 /nfs/dbraw/zinc/30/37/02/388303702.db2.gz OEQWIQFWVCZXHX-ZDUSSCGKSA-N 2 1 246.358 0.952 20 30 BCEDMP C#CC[N@H+](C)CCC[NH+]=C(N(C)C)N(C)C ZINC000491691605 388311110 /nfs/dbraw/zinc/31/11/10/388311110.db2.gz FQFYURDBGBAELZ-UHFFFAOYSA-N 2 1 224.352 0.421 20 30 BCEDMP C#CC(C)(C)[N@H+](C)C[C@@H](O)CN(C)CCOC ZINC000491703812 388312962 /nfs/dbraw/zinc/31/29/62/388312962.db2.gz IFILLLBDFVLLGZ-LBPRGKRZSA-N 2 1 242.363 0.269 20 30 BCEDMP C#CC(C)(C)N(C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000491703812 388312963 /nfs/dbraw/zinc/31/29/63/388312963.db2.gz IFILLLBDFVLLGZ-LBPRGKRZSA-N 2 1 242.363 0.269 20 30 BCEDMP C#CC(C)(C)N(C)C[C@@H](O)C[N@H+](C)CCOC ZINC000491703812 388312964 /nfs/dbraw/zinc/31/29/64/388312964.db2.gz IFILLLBDFVLLGZ-LBPRGKRZSA-N 2 1 242.363 0.269 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000328175973 388581294 /nfs/dbraw/zinc/58/12/94/388581294.db2.gz LVTFYERYENLIJG-RYUDHWBXSA-N 2 1 210.321 0.709 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000328175973 388581295 /nfs/dbraw/zinc/58/12/95/388581295.db2.gz LVTFYERYENLIJG-RYUDHWBXSA-N 2 1 210.321 0.709 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000328175971 388581342 /nfs/dbraw/zinc/58/13/42/388581342.db2.gz LVTFYERYENLIJG-NEPJUHHUSA-N 2 1 210.321 0.709 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000328175971 388581343 /nfs/dbraw/zinc/58/13/43/388581343.db2.gz LVTFYERYENLIJG-NEPJUHHUSA-N 2 1 210.321 0.709 20 30 BCEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC(C)(C)CCC#N)C1 ZINC000358166878 134186928 /nfs/dbraw/zinc/18/69/28/134186928.db2.gz PKUYTSKQRPTYCO-CYBMUJFWSA-N 2 1 239.363 0.973 20 30 BCEDMP C[N@H+]1CC[C@@](O)(C[NH2+]CC(C)(C)CCC#N)C1 ZINC000358166878 134186929 /nfs/dbraw/zinc/18/69/29/134186929.db2.gz PKUYTSKQRPTYCO-CYBMUJFWSA-N 2 1 239.363 0.973 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368917792 134220804 /nfs/dbraw/zinc/22/08/04/134220804.db2.gz SJDWFSHZOIVOBE-MNOVXSKESA-N 2 1 238.335 0.150 20 30 BCEDMP C#CCC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000371203999 134228144 /nfs/dbraw/zinc/22/81/44/134228144.db2.gz FBHQATHXJDCPMF-CQSZACIVSA-N 2 1 235.375 0.722 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@]1([NH+](C)C)CCSC1 ZINC000262488122 135118920 /nfs/dbraw/zinc/11/89/20/135118920.db2.gz TYEXVBQCPVEDLT-LLVKDONJSA-N 2 1 242.392 0.514 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000262423329 135119113 /nfs/dbraw/zinc/11/91/13/135119113.db2.gz BTTADIHJUINTIV-UHFFFAOYSA-N 2 1 222.336 0.729 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000262423329 135119115 /nfs/dbraw/zinc/11/91/15/135119115.db2.gz BTTADIHJUINTIV-UHFFFAOYSA-N 2 1 222.336 0.729 20 30 BCEDMP C=CCNC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264136377 135135173 /nfs/dbraw/zinc/13/51/73/135135173.db2.gz ZTJQSERTJIKWAO-UHFFFAOYSA-N 2 1 221.308 0.672 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000267461452 135155201 /nfs/dbraw/zinc/15/52/01/135155201.db2.gz VGOUBTACPBITPP-LLVKDONJSA-N 2 1 240.351 0.045 20 30 BCEDMP C[C@H]1C[NH+]=C(NC[C@H]2CC[N@H+](C3CC3)C2)N1 ZINC000261593926 135234001 /nfs/dbraw/zinc/23/40/01/135234001.db2.gz XDGHPEANWSXKFL-VHSXEESVSA-N 2 1 222.336 0.408 20 30 BCEDMP C[C@@H](C[NH+]=C(N(C)C)N(C)C)[N@@H+](C)C1CC1 ZINC000262009585 135272139 /nfs/dbraw/zinc/27/21/39/135272139.db2.gz SWEBHCPRXQOXQD-JTQLQIEISA-N 2 1 226.368 0.948 20 30 BCEDMP [NH2+]=C(NCC1CCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262439535 135299280 /nfs/dbraw/zinc/29/92/80/135299280.db2.gz AFXOJQTZLVLSKC-LLVKDONJSA-N 2 1 247.346 0.902 20 30 BCEDMP C[C@H]1C[NH+]=C(NC[C@H]2CCCC[N@H+]2C2CC2)N1 ZINC000262474235 135301396 /nfs/dbraw/zinc/30/13/96/135301396.db2.gz BQQHFWWZPZUFPM-CMPLNLGQSA-N 2 1 236.363 0.941 20 30 BCEDMP CC[N@@H+](CCNC1=[NH+]CCN1C)C(C)C ZINC000262661844 135311625 /nfs/dbraw/zinc/31/16/25/135311625.db2.gz NDDCXQGOWYBQOD-UHFFFAOYSA-N 2 1 212.341 0.608 20 30 BCEDMP CC[N@@H+](CCNC1=[NH+]C[C@H](C)N1)C(C)C ZINC000262682490 135313200 /nfs/dbraw/zinc/31/32/00/135313200.db2.gz WUVRYLCUOTWTGY-JTQLQIEISA-N 2 1 212.341 0.654 20 30 BCEDMP CN1CC[NH+]=C1NCC[N@H+]1CCCC(C)(C)C1 ZINC000262682182 135313393 /nfs/dbraw/zinc/31/33/93/135313393.db2.gz WROPGKLNDDFJGZ-UHFFFAOYSA-N 2 1 238.379 0.999 20 30 BCEDMP C=C[C@H](CO)[NH2+]CCC[NH+](CC)CC ZINC000662168789 411372037 /nfs/dbraw/zinc/37/20/37/411372037.db2.gz VAJNFXUDHIGCMY-LLVKDONJSA-N 2 1 200.326 0.855 20 30 BCEDMP C=C[C@H](CO)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000662166298 411997236 /nfs/dbraw/zinc/99/72/36/411997236.db2.gz ZKTHXZQNDHVEJX-NEPJUHHUSA-N 2 1 212.337 0.997 20 30 BCEDMP C=C[C@H](CO)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000662166298 411997240 /nfs/dbraw/zinc/99/72/40/411997240.db2.gz ZKTHXZQNDHVEJX-NEPJUHHUSA-N 2 1 212.337 0.997 20 30 BCEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000358134495 173137260 /nfs/dbraw/zinc/13/72/60/173137260.db2.gz JKNDTIXFBJDDRS-CQSZACIVSA-N 2 1 245.326 0.714 20 30 BCEDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000358134495 173137262 /nfs/dbraw/zinc/13/72/62/173137262.db2.gz JKNDTIXFBJDDRS-CQSZACIVSA-N 2 1 245.326 0.714 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397487043 323020442 /nfs/dbraw/zinc/02/04/42/323020442.db2.gz VWWWXCXTQYAWKU-UTUOFQBUSA-N 2 1 239.363 0.594 20 30 BCEDMP C=CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397487043 323020443 /nfs/dbraw/zinc/02/04/43/323020443.db2.gz VWWWXCXTQYAWKU-UTUOFQBUSA-N 2 1 239.363 0.594 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1=O ZINC000570683892 323067074 /nfs/dbraw/zinc/06/70/74/323067074.db2.gz IKQVUMFYFOJHNX-UTUOFQBUSA-N 2 1 237.347 0.442 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1=O ZINC000570683892 323067075 /nfs/dbraw/zinc/06/70/75/323067075.db2.gz IKQVUMFYFOJHNX-UTUOFQBUSA-N 2 1 237.347 0.442 20 30 BCEDMP C=CC[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000121585753 324017427 /nfs/dbraw/zinc/01/74/27/324017427.db2.gz DMTJTTSQHMIYFB-UHFFFAOYSA-N 2 1 239.363 0.705 20 30 BCEDMP C=CC[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000121585753 324017429 /nfs/dbraw/zinc/01/74/29/324017429.db2.gz DMTJTTSQHMIYFB-UHFFFAOYSA-N 2 1 239.363 0.705 20 30 BCEDMP C[N@H+]1CCC[C@@H](CCNC(=[NH2+])N2CCC2)C1 ZINC000263130304 536361928 /nfs/dbraw/zinc/36/19/28/536361928.db2.gz NAIQIAOWDRZTEH-NSHDSACASA-N 2 1 224.352 0.739 20 30 BCEDMP CC(C)C[N@H+]1CC[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262679380 535134714 /nfs/dbraw/zinc/13/47/14/535134714.db2.gz VLFMTWFCIQXAJU-NWDGAFQWSA-N 2 1 238.379 0.902 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC1=[NH+]CCN1C ZINC000261534897 535542940 /nfs/dbraw/zinc/54/29/40/535542940.db2.gz NIDYJKBJAAZZQZ-SNVBAGLBSA-N 2 1 210.325 0.362 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CC12CC2 ZINC000263066218 535550275 /nfs/dbraw/zinc/55/02/75/535550275.db2.gz OEKPPOGDSNGSLO-GHMZBOCLSA-N 2 1 236.363 0.928 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCF ZINC000262787085 535596468 /nfs/dbraw/zinc/59/64/68/535596468.db2.gz JVMKGDHGOAOEDV-VIFPVBQESA-N 2 1 216.304 0.345 20 30 BCEDMP C[NH+](C)C1(CNC(=[NH2+])NC2CCC2)CC1 ZINC000263211913 536111327 /nfs/dbraw/zinc/11/13/27/536111327.db2.gz ZETWWAGNRMJOFK-UHFFFAOYSA-N 2 1 210.325 0.537 20 30 BCEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000111994599 588778031 /nfs/dbraw/zinc/77/80/31/588778031.db2.gz IHYNQSUVLTXIRB-NSHDSACASA-N 2 1 224.352 0.928 20 30 BCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880140890 583473140 /nfs/dbraw/zinc/47/31/40/583473140.db2.gz FCBQKSAAGRRBER-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCNC(=O)CCN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880140890 583473141 /nfs/dbraw/zinc/47/31/41/583473141.db2.gz FCBQKSAAGRRBER-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCNC(=O)CCN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880140890 583473142 /nfs/dbraw/zinc/47/31/42/583473142.db2.gz FCBQKSAAGRRBER-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000894863793 583536112 /nfs/dbraw/zinc/53/61/12/583536112.db2.gz TVNLTNRBDWRTFJ-GFCCVEGCSA-N 2 1 237.347 0.200 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000894863793 583536114 /nfs/dbraw/zinc/53/61/14/583536114.db2.gz TVNLTNRBDWRTFJ-GFCCVEGCSA-N 2 1 237.347 0.200 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000115958385 588938579 /nfs/dbraw/zinc/93/85/79/588938579.db2.gz AESRYGUULMBZGL-NSHDSACASA-N 2 1 224.352 0.880 20 30 BCEDMP C=CC[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903747245 584794863 /nfs/dbraw/zinc/79/48/63/584794863.db2.gz QKZZBXTUHCQFDV-RYUDHWBXSA-N 2 1 210.321 0.873 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000730276038 584898014 /nfs/dbraw/zinc/89/80/14/584898014.db2.gz FKVZNHJIVTYOOY-NEPJUHHUSA-N 2 1 237.347 0.150 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000730276038 584898016 /nfs/dbraw/zinc/89/80/16/584898016.db2.gz FKVZNHJIVTYOOY-NEPJUHHUSA-N 2 1 237.347 0.150 20 30 BCEDMP C=C(C)C[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000778232450 585728432 /nfs/dbraw/zinc/72/84/32/585728432.db2.gz ZKEBKZYAVFMVLF-LBPRGKRZSA-N 2 1 212.337 0.951 20 30 BCEDMP C=C(C)C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000778232450 585728433 /nfs/dbraw/zinc/72/84/33/585728433.db2.gz ZKEBKZYAVFMVLF-LBPRGKRZSA-N 2 1 212.337 0.951 20 30 BCEDMP C[C@H]1CNC(NN=C2C[N@@H+](C3CC3)C[C@@H]2C)=[NH+]1 ZINC000779786486 585763330 /nfs/dbraw/zinc/76/33/30/585763330.db2.gz RFOOVOGDFKWONB-IUCAKERBSA-N 2 1 235.335 0.394 20 30 BCEDMP C[C@H]1CNC(NN=C2C[N@H+](C3CC3)C[C@@H]2C)=[NH+]1 ZINC000779786486 585763331 /nfs/dbraw/zinc/76/33/31/585763331.db2.gz RFOOVOGDFKWONB-IUCAKERBSA-N 2 1 235.335 0.394 20 30 BCEDMP C[C@@H]1CNC(NN=C2CC[N@H+]3CCC[C@H]23)=[NH+]1 ZINC000779792200 585763754 /nfs/dbraw/zinc/76/37/54/585763754.db2.gz QAFVCJHFEOQNBY-PSASIEDQSA-N 2 1 221.308 0.148 20 30 BCEDMP C[C@@H]1CC(=NNC2=[NH+][C@@H](C)CN2)C[N@@H+]1C1CC1 ZINC000779799560 585764590 /nfs/dbraw/zinc/76/45/90/585764590.db2.gz VKOBZGRGHZDPDO-DTWKUNHWSA-N 2 1 235.335 0.536 20 30 BCEDMP C[C@@H]1CC(=NNC2=[NH+][C@@H](C)CN2)C[N@H+]1C1CC1 ZINC000779799560 585764591 /nfs/dbraw/zinc/76/45/91/585764591.db2.gz VKOBZGRGHZDPDO-DTWKUNHWSA-N 2 1 235.335 0.536 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000793835146 586027752 /nfs/dbraw/zinc/02/77/52/586027752.db2.gz NAFAWIXKFFGAEE-GFCCVEGCSA-N 2 1 241.379 0.949 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000816950400 586773993 /nfs/dbraw/zinc/77/39/93/586773993.db2.gz RHGICVHKELZZJK-NWDGAFQWSA-N 2 1 237.347 0.267 20 30 BCEDMP C[NH+]=C(NCC[N@H+]1CC[C@H](C)C1)NC1CC1 ZINC000849005042 588432189 /nfs/dbraw/zinc/43/21/89/588432189.db2.gz SENCNBCEFLBAKC-JTQLQIEISA-N 2 1 224.352 0.656 20 30 BCEDMP CNC(NCCC[N@H+]1CCCO[C@H](C)C1)=[NH+]C ZINC000849022561 588439159 /nfs/dbraw/zinc/43/91/59/588439159.db2.gz JHLUCHGJRTULSN-LLVKDONJSA-N 2 1 242.367 0.282 20 30 BCEDMP CCC[N@H+]1CCC[C@H]1CNC(NC)=[NH+]C ZINC000849027669 588441478 /nfs/dbraw/zinc/44/14/78/588441478.db2.gz CMGKBDNXZJOQRZ-JTQLQIEISA-N 2 1 212.341 0.656 20 30 BCEDMP C[C@H]1C[NH+]=C(NCCCC[N@@H+](C)C2CC2)N1 ZINC000849039721 588447133 /nfs/dbraw/zinc/44/71/33/588447133.db2.gz PBUWLUKUDYWMIX-JTQLQIEISA-N 2 1 224.352 0.798 20 30 BCEDMP CC(C)C[N@@H+](C)CCCNC1=[NH+]C[C@H](C)N1 ZINC000849047300 588450524 /nfs/dbraw/zinc/45/05/24/588450524.db2.gz UKZQDXMFQBAULX-NSHDSACASA-N 2 1 226.368 0.902 20 30 BCEDMP C#CCOCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852078246 588660387 /nfs/dbraw/zinc/66/03/87/588660387.db2.gz OCCRNPGTJGSBKS-CYBMUJFWSA-N 2 1 222.332 0.664 20 30 BCEDMP C#CCOCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000852078246 588660388 /nfs/dbraw/zinc/66/03/88/588660388.db2.gz OCCRNPGTJGSBKS-CYBMUJFWSA-N 2 1 222.332 0.664 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000852078246 588660389 /nfs/dbraw/zinc/66/03/89/588660389.db2.gz OCCRNPGTJGSBKS-CYBMUJFWSA-N 2 1 222.332 0.664 20 30 BCEDMP C#CCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852706781 588697009 /nfs/dbraw/zinc/69/70/09/588697009.db2.gz AGBQBYCBQUJEKT-CQSZACIVSA-N 2 1 236.359 0.931 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864465811 589370753 /nfs/dbraw/zinc/37/07/53/589370753.db2.gz BUPUEVYVXJFCID-WDEREUQCSA-N 2 1 222.336 0.464 20 30 BCEDMP C[NH+]1CCC(C=NN2CC[NH+](C)CC2)CC1 ZINC000872325478 589913012 /nfs/dbraw/zinc/91/30/12/589913012.db2.gz SQSQACFHTMQUDW-UHFFFAOYSA-N 2 1 224.352 0.561 20 30 BCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000876728225 590233263 /nfs/dbraw/zinc/23/32/63/590233263.db2.gz YRNNGFBIBUVPAA-NXEZZACHSA-N 2 1 245.754 0.524 20 30 BCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000876728226 590233338 /nfs/dbraw/zinc/23/33/38/590233338.db2.gz YRNNGFBIBUVPAA-UWVGGRQHSA-N 2 1 245.754 0.524 20 30 BCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000876733457 590233962 /nfs/dbraw/zinc/23/39/62/590233962.db2.gz YIASFFHFKNLRNZ-NXEZZACHSA-N 2 1 245.754 0.667 20 30 BCEDMP C#CC[N@@H+](CC)CC(=O)NC1CC[NH+](C)CC1 ZINC000878166769 590513963 /nfs/dbraw/zinc/51/39/63/590513963.db2.gz FKEYXCXTIJMYRD-UHFFFAOYSA-N 2 1 237.347 0.152 20 30 BCEDMP C#CC[N@H+](CC)CC(=O)NC1CC[NH+](C)CC1 ZINC000878166769 590513965 /nfs/dbraw/zinc/51/39/65/590513965.db2.gz FKEYXCXTIJMYRD-UHFFFAOYSA-N 2 1 237.347 0.152 20 30 BCEDMP C=C(C)C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878382438 590556591 /nfs/dbraw/zinc/55/65/91/590556591.db2.gz CAAGTVANTXZGIF-UHFFFAOYSA-N 2 1 239.363 0.705 20 30 BCEDMP C#CC[N@@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(N)n2)C1 ZINC000884613538 591994759 /nfs/dbraw/zinc/99/47/59/591994759.db2.gz OVKBLRNANOXQJM-LLVKDONJSA-N 2 1 245.330 0.877 20 30 BCEDMP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000886213556 592177834 /nfs/dbraw/zinc/17/78/34/592177834.db2.gz VWRORPTVBUAUTO-CQSZACIVSA-N 2 1 235.375 0.768 20 30 BCEDMP C(#CC[N@H+]1C[C@@H]2C[C@@H]2C1)C[NH+]1C[C@@H]2C[C@@H]2C1 ZINC000886346247 592212948 /nfs/dbraw/zinc/21/29/48/592212948.db2.gz DVYSSXOSXXBVFL-KPWCQOOUSA-N 2 1 216.328 0.893 20 30 BCEDMP C[C@H]1C[C@H]1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104174140 592603488 /nfs/dbraw/zinc/60/34/88/592603488.db2.gz GQEQNASLCUKODR-WDEREUQCSA-N 2 1 240.351 0.021 20 30 BCEDMP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@@H+](C)C1CC1 ZINC000104192931 592604792 /nfs/dbraw/zinc/60/47/92/592604792.db2.gz SOYAKQDPLFKRLH-JTQLQIEISA-N 2 1 240.351 0.116 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022102901 631351391 /nfs/dbraw/zinc/35/13/91/631351391.db2.gz BJBPSWLYMOSDRR-FVCCEPFGSA-N 2 1 249.358 0.197 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001022291374 631463000 /nfs/dbraw/zinc/46/30/00/631463000.db2.gz YLZVOZKSKGDYEJ-FRRDWIJNSA-N 2 1 249.358 0.341 20 30 BCEDMP C=C(C)[C@H](CO)[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933736579 631498548 /nfs/dbraw/zinc/49/85/48/631498548.db2.gz XADMJTWLESFFKR-AGIUHOORSA-N 2 1 224.348 0.807 20 30 BCEDMP C=C(C)[C@H](CO)[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933736579 631498551 /nfs/dbraw/zinc/49/85/51/631498551.db2.gz XADMJTWLESFFKR-AGIUHOORSA-N 2 1 224.348 0.807 20 30 BCEDMP C=C(C)[C@H](CO)[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933736579 631498552 /nfs/dbraw/zinc/49/85/52/631498552.db2.gz XADMJTWLESFFKR-AGIUHOORSA-N 2 1 224.348 0.807 20 30 BCEDMP C=C(C)[C@H](CO)[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933736579 631498555 /nfs/dbraw/zinc/49/85/55/631498555.db2.gz XADMJTWLESFFKR-AGIUHOORSA-N 2 1 224.348 0.807 20 30 BCEDMP CNC(NC[C@H]1CCC[N@H+](C(C)C)C1)=[NH+]C ZINC000161527346 632071131 /nfs/dbraw/zinc/07/11/31/632071131.db2.gz DUWOZIBDAWMLGW-LLVKDONJSA-N 2 1 226.368 0.902 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001019777037 633790257 /nfs/dbraw/zinc/79/02/57/633790257.db2.gz PZHCTPNPKUXLMJ-LBPRGKRZSA-N 2 1 246.314 0.015 20 30 BCEDMP C=CC[C@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000320702365 636356463 /nfs/dbraw/zinc/35/64/63/636356463.db2.gz YKPUDHYROGAVKT-ASHHDVGLSA-N 2 1 222.332 0.509 20 30 BCEDMP C[NH+](C)C1(C)CCC(N=NC2=[NH+]CCN2)CC1 ZINC000872385371 636584815 /nfs/dbraw/zinc/58/48/15/636584815.db2.gz FXNJGAIGPGXSCR-UHFFFAOYSA-N 2 1 237.351 0.786 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@](C)(O)C(F)F ZINC000905271245 637730426 /nfs/dbraw/zinc/73/04/26/637730426.db2.gz BHKNYHURCJOXAW-NSHDSACASA-N 2 1 234.290 0.547 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@](C)(O)C(F)F ZINC000905271245 637730434 /nfs/dbraw/zinc/73/04/34/637730434.db2.gz BHKNYHURCJOXAW-NSHDSACASA-N 2 1 234.290 0.547 20 30 BCEDMP C#CC[NH2+]CC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000911682187 639723586 /nfs/dbraw/zinc/72/35/86/639723586.db2.gz LWKTYTJPAOYJLP-UHFFFAOYSA-N 2 1 245.326 0.957 20 30 BCEDMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])N(C)C ZINC000170913332 640938135 /nfs/dbraw/zinc/93/81/35/640938135.db2.gz DTXIMAPQCFCIAQ-JTQLQIEISA-N 2 1 212.341 0.737 20 30 BCEDMP C=C(Cl)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179890 641144712 /nfs/dbraw/zinc/14/47/12/641144712.db2.gz HMUICSVMCHRAQM-JTQLQIEISA-N 2 1 245.754 0.526 20 30 BCEDMP CN(C(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000181464794 642875244 /nfs/dbraw/zinc/87/52/44/642875244.db2.gz ZWXOUTSUYNTOCQ-SNVBAGLBSA-N 2 1 236.363 0.880 20 30 BCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015286105 642898078 /nfs/dbraw/zinc/89/80/78/642898078.db2.gz MTKQXQMSACYVNO-GFCCVEGCSA-N 2 1 248.330 0.568 20 30 BCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001015286105 642898080 /nfs/dbraw/zinc/89/80/80/642898080.db2.gz MTKQXQMSACYVNO-GFCCVEGCSA-N 2 1 248.330 0.568 20 30 BCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969380333 643159284 /nfs/dbraw/zinc/15/92/84/643159284.db2.gz DBDMTJJUKXTLOL-YPMHNXCESA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969380333 643159292 /nfs/dbraw/zinc/15/92/92/643159292.db2.gz DBDMTJJUKXTLOL-YPMHNXCESA-N 2 1 249.358 0.150 20 30 BCEDMP C=CCNC(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000083094137 643410874 /nfs/dbraw/zinc/41/08/74/643410874.db2.gz JMQWTHCAXWAXFB-JTQLQIEISA-N 2 1 222.336 0.574 20 30 BCEDMP C=CCNC(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000083094137 643410880 /nfs/dbraw/zinc/41/08/80/643410880.db2.gz JMQWTHCAXWAXFB-JTQLQIEISA-N 2 1 222.336 0.574 20 30 BCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970870568 643580299 /nfs/dbraw/zinc/58/02/99/643580299.db2.gz VCESBOMNRZZEKZ-RYUDHWBXSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970870568 643580304 /nfs/dbraw/zinc/58/03/04/643580304.db2.gz VCESBOMNRZZEKZ-RYUDHWBXSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999831799 643741147 /nfs/dbraw/zinc/74/11/47/643741147.db2.gz LVCOZTJNNOXJFN-PNESKVBLSA-N 2 1 249.358 0.150 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923357805 644367109 /nfs/dbraw/zinc/36/71/09/644367109.db2.gz RWQNVSOPSOMMLS-NWDGAFQWSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923357805 644367113 /nfs/dbraw/zinc/36/71/13/644367113.db2.gz RWQNVSOPSOMMLS-NWDGAFQWSA-N 2 1 212.337 0.983 20 30 BCEDMP CCC[N@@H+](CC)CCNC(=[NH2+])N(C)C ZINC000083052939 644398843 /nfs/dbraw/zinc/39/88/43/644398843.db2.gz GQQPQSQBEQTJIA-UHFFFAOYSA-N 2 1 200.330 0.595 20 30 BCEDMP C=CCC[C@H](O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000923414006 644417754 /nfs/dbraw/zinc/41/77/54/644417754.db2.gz UIDZLYSBFYKJTQ-ZDUSSCGKSA-N 2 1 242.363 0.360 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000923426768 644421600 /nfs/dbraw/zinc/42/16/00/644421600.db2.gz QLMFMTDMMQKFQM-YNEHKIRRSA-N 2 1 224.348 0.855 20 30 BCEDMP N#C[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432428 644426628 /nfs/dbraw/zinc/42/66/28/644426628.db2.gz MINDIHQWVUNNFX-NWDGAFQWSA-N 2 1 235.331 0.600 20 30 BCEDMP N#C[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432428 644426634 /nfs/dbraw/zinc/42/66/34/644426634.db2.gz MINDIHQWVUNNFX-NWDGAFQWSA-N 2 1 235.331 0.600 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923482394 644459009 /nfs/dbraw/zinc/45/90/09/644459009.db2.gz ZKTNZYLYQJPXBF-NEPJUHHUSA-N 2 1 237.347 0.444 20 30 BCEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000303977057 644862360 /nfs/dbraw/zinc/86/23/60/644862360.db2.gz KUHKERTXXQPZPP-NSHDSACASA-N 2 1 242.367 0.410 20 30 BCEDMP CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCOC ZINC000303984548 644862693 /nfs/dbraw/zinc/86/26/93/644862693.db2.gz SERFTEXRWCTMII-NSHDSACASA-N 2 1 242.367 0.412 20 30 BCEDMP CNC(NCC[N@@H+](C)C1CCCC1)=[NH+]C ZINC000303990988 644863143 /nfs/dbraw/zinc/86/31/43/644863143.db2.gz LNAQCVJGJZGCGT-UHFFFAOYSA-N 2 1 212.341 0.656 20 30 BCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCCOC ZINC000304064704 644867844 /nfs/dbraw/zinc/86/78/44/644867844.db2.gz SMQGKKVITRSSMU-LLVKDONJSA-N 2 1 242.367 0.412 20 30 BCEDMP CCCC[N@@H+](C)CCNC(=[NH2+])N1CCOCC1 ZINC000304754872 644930827 /nfs/dbraw/zinc/93/08/27/644930827.db2.gz MGAPVLCXBOWJRI-UHFFFAOYSA-N 2 1 242.367 0.365 20 30 BCEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1 ZINC000304754204 644931428 /nfs/dbraw/zinc/93/14/28/644931428.db2.gz LSQYWGUYZJLRRX-QWRGUYRKSA-N 2 1 242.367 0.267 20 30 BCEDMP CC(=NN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000814686198 644944580 /nfs/dbraw/zinc/94/45/80/644944580.db2.gz WLMFJQRICJVDSE-UHFFFAOYSA-N 2 1 238.379 0.952 20 30 BCEDMP CC[N@H+]1CC[C@@H](N(C)C[C@H](O)CC#N)[C@H](C)C1 ZINC000929998479 646390606 /nfs/dbraw/zinc/39/06/06/646390606.db2.gz FHYDAPXOSGTRLM-JHJVBQTASA-N 2 1 239.363 0.923 20 30 BCEDMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)CC#N)[C@H](C)C1 ZINC000929998479 646390609 /nfs/dbraw/zinc/39/06/09/646390609.db2.gz FHYDAPXOSGTRLM-JHJVBQTASA-N 2 1 239.363 0.923 20 30 BCEDMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)CC#N)[C@H](C)C1 ZINC000929998479 646390621 /nfs/dbraw/zinc/39/06/21/646390621.db2.gz FHYDAPXOSGTRLM-JHJVBQTASA-N 2 1 239.363 0.923 20 30 BCEDMP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]2[NH3+])nc1 ZINC000925892988 646535479 /nfs/dbraw/zinc/53/54/79/646535479.db2.gz JDSIQJGNYYGXCI-VXGBXAGGSA-N 2 1 245.330 0.835 20 30 BCEDMP CNC(NC[C@@H]1CCCC[N@@H+](C)C1)=[NH+]C ZINC000700814009 712006399 /nfs/dbraw/zinc/00/63/99/712006399.db2.gz SSNXLVFYMAWEIP-JTQLQIEISA-N 2 1 212.341 0.513 20 30 BCEDMP C=CCNC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000710749142 712255604 /nfs/dbraw/zinc/25/56/04/712255604.db2.gz GQVZGAZNTZOICJ-UHFFFAOYSA-N 2 1 227.352 0.740 20 30 BCEDMP CC(C)[N@@H+](C)CCCNC1=[NH+]CCN1C ZINC000379921515 712627423 /nfs/dbraw/zinc/62/74/23/712627423.db2.gz RWBMHLHKLJGDQQ-UHFFFAOYSA-N 2 1 212.341 0.608 20 30 BCEDMP C#CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000717841876 712691956 /nfs/dbraw/zinc/69/19/56/712691956.db2.gz XGDWIUYPPZRWIR-WODVXLOZSA-N 2 1 222.332 0.585 20 30 BCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038915691 710714435 /nfs/dbraw/zinc/71/44/35/710714435.db2.gz XWFMDBRFOZNTMP-LBPRGKRZSA-N 2 1 249.358 0.459 20 30 BCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038915691 710714438 /nfs/dbraw/zinc/71/44/38/710714438.db2.gz XWFMDBRFOZNTMP-LBPRGKRZSA-N 2 1 249.358 0.459 20 30 BCEDMP C#C[C@@](C)(CC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000384227110 710836950 /nfs/dbraw/zinc/83/69/50/710836950.db2.gz VRVIWPGYGAQIPN-STQMWFEESA-N 2 1 224.348 0.835 20 30 BCEDMP C#CC[N@@H+](C)CCCNCc1ccnn1C ZINC000392778029 711151721 /nfs/dbraw/zinc/15/17/21/711151721.db2.gz OBLXVHVZRFSXBF-UHFFFAOYSA-N 2 1 220.320 0.465 20 30 BCEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033705401 712014424 /nfs/dbraw/zinc/01/44/24/712014424.db2.gz GRVXINWHQKHBPY-LBPRGKRZSA-N 2 1 248.330 0.602 20 30 BCEDMP C=C(Cl)C[N@@H+](C)CCOCC[NH2+]C ZINC000706665318 712151136 /nfs/dbraw/zinc/15/11/36/712151136.db2.gz OBANFSWXLJKVAO-UHFFFAOYSA-N 2 1 206.717 0.907 20 30 BCEDMP C=C(Cl)C[N@H+](C)CCOCC[NH2+]C ZINC000706665318 712151137 /nfs/dbraw/zinc/15/11/37/712151137.db2.gz OBANFSWXLJKVAO-UHFFFAOYSA-N 2 1 206.717 0.907 20 30 BCEDMP C=CC[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000715058410 712505219 /nfs/dbraw/zinc/50/52/19/712505219.db2.gz POLDBPVZQPCGDE-LBPRGKRZSA-N 2 1 211.353 0.788 20 30 BCEDMP C=CC[C@H](CO)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423020274 398162242 /nfs/dbraw/zinc/16/22/42/398162242.db2.gz ZRBBVJYMBUNPDK-SDDRHHMPSA-N 2 1 212.337 0.759 20 30 BCEDMP C[C@@H](CCC#N)C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000602612257 349636284 /nfs/dbraw/zinc/63/62/84/349636284.db2.gz ORBFNLMSSNVRLH-NWDGAFQWSA-N 2 1 225.336 0.582 20 30 BCEDMP C[C@@H](CCC#N)C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000602612257 349636285 /nfs/dbraw/zinc/63/62/85/349636285.db2.gz ORBFNLMSSNVRLH-NWDGAFQWSA-N 2 1 225.336 0.582 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383878388 349927507 /nfs/dbraw/zinc/92/75/07/349927507.db2.gz QZUSPWBXXUHAFY-TXEJJXNPSA-N 2 1 237.347 0.220 20 30 BCEDMP C=C(CC)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000313495677 323091908 /nfs/dbraw/zinc/09/19/08/323091908.db2.gz YCDPNAFJXHGCCK-GFCCVEGCSA-N 2 1 212.337 0.997 20 30 BCEDMP C=C(CC)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000313495677 323091909 /nfs/dbraw/zinc/09/19/09/323091909.db2.gz YCDPNAFJXHGCCK-GFCCVEGCSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802697 362763285 /nfs/dbraw/zinc/76/32/85/362763285.db2.gz ARFJACLYLVOCAW-GUBZILKMSA-N 2 1 225.336 0.393 20 30 BCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000641801417 362755163 /nfs/dbraw/zinc/75/51/63/362755163.db2.gz QMSBNEAJTDGYGC-HBNTYKKESA-N 2 1 237.347 0.489 20 30 BCEDMP Cc1[nH+]ccn1CCCNC1=[NH+]C[C@@H](C)N1 ZINC000284921467 352010552 /nfs/dbraw/zinc/01/05/52/352010552.db2.gz BYMPJHROBRVGLB-SECBINFHSA-N 2 1 221.308 0.519 20 30 BCEDMP C=CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344040613 354106200 /nfs/dbraw/zinc/10/62/00/354106200.db2.gz VQRBAKNSWXXBRB-UHFFFAOYSA-N 2 1 213.369 0.988 20 30 BCEDMP C=CCN1CC[C@H]([NH2+][C@@H](CN)C(C)(C)C)C1=O ZINC000420364914 192223741 /nfs/dbraw/zinc/22/37/41/192223741.db2.gz PNQJLNCUSKQATP-QWRGUYRKSA-N 2 1 239.363 0.736 20 30 BCEDMP C=CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762955 356687829 /nfs/dbraw/zinc/68/78/29/356687829.db2.gz OYJOTKOOGODISA-GFCCVEGCSA-N 2 1 212.337 0.951 20 30 BCEDMP C=CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762955 356687833 /nfs/dbraw/zinc/68/78/33/356687833.db2.gz OYJOTKOOGODISA-GFCCVEGCSA-N 2 1 212.337 0.951 20 30 BCEDMP C=C(C)CN(CC)C[C@@H](O)C[N@H+](C)CCOC ZINC000582674942 357361501 /nfs/dbraw/zinc/36/15/01/357361501.db2.gz ZWFCVFIPXGBEAW-ZDUSSCGKSA-N 2 1 244.379 0.824 20 30 BCEDMP C=C(C)CN(CC)C[C@@H](O)C[N@@H+](C)CCOC ZINC000582674942 357361507 /nfs/dbraw/zinc/36/15/07/357361507.db2.gz ZWFCVFIPXGBEAW-ZDUSSCGKSA-N 2 1 244.379 0.824 20 30 BCEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436059610 201309361 /nfs/dbraw/zinc/30/93/61/201309361.db2.gz BOSUIQUJNBXNHK-GFCCVEGCSA-N 2 1 239.363 0.882 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NCC(C)C ZINC000382027050 367480008 /nfs/dbraw/zinc/48/00/08/367480008.db2.gz SIYFFAKSJQQMNC-UHFFFAOYSA-N 2 1 224.352 0.711 20 30 BCEDMP C#CC[NH+](C)CCCN[C@@H]1C[N@H+](C)C[C@H]1C ZINC000382047694 367481462 /nfs/dbraw/zinc/48/14/62/367481462.db2.gz CKEBEVRSELNVCA-CHWSQXEVSA-N 2 1 223.364 0.481 20 30 BCEDMP C#CC[N@@H+](C)CCCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000382047694 367481467 /nfs/dbraw/zinc/48/14/67/367481467.db2.gz CKEBEVRSELNVCA-CHWSQXEVSA-N 2 1 223.364 0.481 20 30 BCEDMP C#CC[N@H+](C)CCCN[C@@H]1C[NH+](C)C[C@H]1C ZINC000382047694 367481474 /nfs/dbraw/zinc/48/14/74/367481474.db2.gz CKEBEVRSELNVCA-CHWSQXEVSA-N 2 1 223.364 0.481 20 30 BCEDMP C=C(C)CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000386688364 368010220 /nfs/dbraw/zinc/01/02/20/368010220.db2.gz JWLILPKTDCOLEI-LBPRGKRZSA-N 2 1 212.337 0.997 20 30 BCEDMP C=C(C)CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000386688364 368010226 /nfs/dbraw/zinc/01/02/26/368010226.db2.gz JWLILPKTDCOLEI-LBPRGKRZSA-N 2 1 212.337 0.997 20 30 BCEDMP C#CCNC(NC[C@@H]1CCC[N@H+]1CC)=[NH+]CC ZINC000073675569 368813267 /nfs/dbraw/zinc/81/32/67/368813267.db2.gz WCTNVJHFZVUZSC-LBPRGKRZSA-N 2 1 236.363 0.659 20 30 BCEDMP N#C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000619673342 369522537 /nfs/dbraw/zinc/52/25/37/369522537.db2.gz GXHZFMGVLYWDKL-DGCLKSJQSA-N 2 1 237.347 0.725 20 30 BCEDMP C#CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000267425496 532999612 /nfs/dbraw/zinc/99/96/12/532999612.db2.gz LIKCGXKLTXFAEF-LLVKDONJSA-N 2 1 222.336 0.398 20 30 BCEDMP C#CCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000371203613 533054614 /nfs/dbraw/zinc/05/46/14/533054614.db2.gz CBIDRPZBGPKMEL-CQSZACIVSA-N 2 1 235.375 0.722 20 30 BCEDMP C#CCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000371203613 533054618 /nfs/dbraw/zinc/05/46/18/533054618.db2.gz CBIDRPZBGPKMEL-CQSZACIVSA-N 2 1 235.375 0.722 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000491633444 385262868 /nfs/dbraw/zinc/26/28/68/385262868.db2.gz QDHJSHZHJSHCLT-OLZOCXBDSA-N 2 1 249.358 0.342 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000491633444 385262874 /nfs/dbraw/zinc/26/28/74/385262874.db2.gz QDHJSHZHJSHCLT-OLZOCXBDSA-N 2 1 249.358 0.342 20 30 BCEDMP C=C[C@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000308975229 385329764 /nfs/dbraw/zinc/32/97/64/385329764.db2.gz GLUVYCAWLZJJET-LLVKDONJSA-N 2 1 212.337 0.996 20 30 BCEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414978570 386033495 /nfs/dbraw/zinc/03/34/95/386033495.db2.gz RYJZWIBROMKPMC-RYUDHWBXSA-N 2 1 211.353 0.834 20 30 BCEDMP C#CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374423533 533159287 /nfs/dbraw/zinc/15/92/87/533159287.db2.gz WJIBRNCPLHPQJH-RWMBFGLXSA-N 2 1 222.332 0.803 20 30 BCEDMP C#CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374423533 533159293 /nfs/dbraw/zinc/15/92/93/533159293.db2.gz WJIBRNCPLHPQJH-RWMBFGLXSA-N 2 1 222.332 0.803 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000519607228 386504306 /nfs/dbraw/zinc/50/43/06/386504306.db2.gz PMDBYYQOTWCZET-WOPDTQHZSA-N 2 1 237.347 0.442 20 30 BCEDMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000514598750 387007512 /nfs/dbraw/zinc/00/75/12/387007512.db2.gz KEXRVDVKDUSVEA-DMDPSCGWSA-N 2 1 237.347 0.723 20 30 BCEDMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000514598750 387007516 /nfs/dbraw/zinc/00/75/16/387007516.db2.gz KEXRVDVKDUSVEA-DMDPSCGWSA-N 2 1 237.347 0.723 20 30 BCEDMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)CC#N)C1CC1 ZINC000515637590 387404739 /nfs/dbraw/zinc/40/47/39/387404739.db2.gz AQFFAKGVBQUAPK-LBPRGKRZSA-N 2 1 239.363 0.971 20 30 BCEDMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)CC#N)C1CC1 ZINC000515637590 387404741 /nfs/dbraw/zinc/40/47/41/387404741.db2.gz AQFFAKGVBQUAPK-LBPRGKRZSA-N 2 1 239.363 0.971 20 30 BCEDMP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143804 387748148 /nfs/dbraw/zinc/74/81/48/387748148.db2.gz GGNJUXNBDODNBN-GHMZBOCLSA-N 2 1 238.335 0.218 20 30 BCEDMP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424145702 387768730 /nfs/dbraw/zinc/76/87/30/387768730.db2.gz OGYBPJVCIAKEGC-GHMZBOCLSA-N 2 1 238.335 0.170 20 30 BCEDMP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424145702 387768736 /nfs/dbraw/zinc/76/87/36/387768736.db2.gz OGYBPJVCIAKEGC-GHMZBOCLSA-N 2 1 238.335 0.170 20 30 BCEDMP C=CCC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193631785 387859775 /nfs/dbraw/zinc/85/97/75/387859775.db2.gz HWGZLOJENOTKDB-FRRDWIJNSA-N 2 1 224.348 0.807 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CSC ZINC000491615464 388304621 /nfs/dbraw/zinc/30/46/21/388304621.db2.gz DDQZZUNIWLTWJV-NSHDSACASA-N 2 1 230.377 0.255 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CSC ZINC000491615464 388304622 /nfs/dbraw/zinc/30/46/22/388304622.db2.gz DDQZZUNIWLTWJV-NSHDSACASA-N 2 1 230.377 0.255 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CSC ZINC000491615463 388304638 /nfs/dbraw/zinc/30/46/38/388304638.db2.gz DDQZZUNIWLTWJV-LLVKDONJSA-N 2 1 230.377 0.255 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CSC ZINC000491615463 388304639 /nfs/dbraw/zinc/30/46/39/388304639.db2.gz DDQZZUNIWLTWJV-LLVKDONJSA-N 2 1 230.377 0.255 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NCC=C ZINC000491651852 388308006 /nfs/dbraw/zinc/30/80/06/388308006.db2.gz JPSMUMFYOWFFIE-UHFFFAOYSA-N 2 1 208.309 0.241 20 30 BCEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000491676600 388310131 /nfs/dbraw/zinc/31/01/31/388310131.db2.gz OTIXKDOHEAQWCW-GFCCVEGCSA-N 2 1 249.358 0.200 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000565775738 388968866 /nfs/dbraw/zinc/96/88/66/388968866.db2.gz VZXSIWCLKXDKBQ-VXGBXAGGSA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](C[NH3+])C2)C1=O ZINC000565775738 388968868 /nfs/dbraw/zinc/96/88/68/388968868.db2.gz VZXSIWCLKXDKBQ-VXGBXAGGSA-N 2 1 237.347 0.444 20 30 BCEDMP C#C[C@@H](CC)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000262546614 533236160 /nfs/dbraw/zinc/23/61/60/533236160.db2.gz STOTUXZIRRWNMM-NWDGAFQWSA-N 2 1 236.363 0.787 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226430456 134365868 /nfs/dbraw/zinc/36/58/68/134365868.db2.gz MIVGDSLTJXYQQU-VXGBXAGGSA-N 2 1 241.379 0.982 20 30 BCEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226430456 134365869 /nfs/dbraw/zinc/36/58/69/134365869.db2.gz MIVGDSLTJXYQQU-VXGBXAGGSA-N 2 1 241.379 0.982 20 30 BCEDMP CC#CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000262027750 135114568 /nfs/dbraw/zinc/11/45/68/135114568.db2.gz NSIXKSKLMDPWJK-LLVKDONJSA-N 2 1 222.336 0.398 20 30 BCEDMP CCNC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267385052 135153232 /nfs/dbraw/zinc/15/32/32/135153232.db2.gz BHAXWCLGXVLMLG-UHFFFAOYSA-N 2 1 223.324 0.896 20 30 BCEDMP C[C@H]1C[NH+]=C(NCC[N@@H+](C)C2CCCC2)N1 ZINC000261581396 135222351 /nfs/dbraw/zinc/22/23/51/135222351.db2.gz NOFIEKSRNFRTDY-JTQLQIEISA-N 2 1 224.352 0.798 20 30 BCEDMP C[C@H]1C[NH+]=C(NC[C@@H]2CC[N@H+](C3CC3)C2)N1 ZINC000261593925 135234506 /nfs/dbraw/zinc/23/45/06/135234506.db2.gz XDGHPEANWSXKFL-UWVGGRQHSA-N 2 1 222.336 0.408 20 30 BCEDMP CN(C)C(=[NH+]C[C@@H]1CC[N@H+](C2CC2)C1)N(C)C ZINC000261968066 135266753 /nfs/dbraw/zinc/26/67/53/135266753.db2.gz BZXRAJVPKKJRPU-NSHDSACASA-N 2 1 238.379 0.950 20 30 BCEDMP CC[C@H](C)NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262466564 135301124 /nfs/dbraw/zinc/30/11/24/135301124.db2.gz YDCJPEYMFNUILS-VHSXEESVSA-N 2 1 235.335 0.901 20 30 BCEDMP CN(C)C(=[NH+]CC[NH+]1CCSCC1)N(C)C ZINC000262513784 135303477 /nfs/dbraw/zinc/30/34/77/135303477.db2.gz FICWFFOYXZMLOL-UHFFFAOYSA-N 2 1 244.408 0.514 20 30 BCEDMP C[C@@H]1C[NH+]=C(NCC[N@H+]2CCC[C@@H](C)C2)N1 ZINC000262646797 135311490 /nfs/dbraw/zinc/31/14/90/135311490.db2.gz JJYXLNXFMYDCHL-GHMZBOCLSA-N 2 1 224.352 0.656 20 30 BCEDMP CCC[N@H+]1CC[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000262679067 135312947 /nfs/dbraw/zinc/31/29/47/135312947.db2.gz VHLDOZLDOAWPHF-NSHDSACASA-N 2 1 224.352 0.609 20 30 BCEDMP CCC[N@H+]1CC[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262676442 135313155 /nfs/dbraw/zinc/31/31/55/135313155.db2.gz UBIDUZKDUJTUPI-QWRGUYRKSA-N 2 1 224.352 0.656 20 30 BCEDMP CC#CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000334367683 135374824 /nfs/dbraw/zinc/37/48/24/135374824.db2.gz RJLZCODQLNMFPT-LSDHHAIUSA-N 2 1 249.402 0.968 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)NC ZINC000295028668 135379267 /nfs/dbraw/zinc/37/92/67/135379267.db2.gz OIFHYBQGIWVXOB-LLVKDONJSA-N 2 1 225.336 0.056 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)NC ZINC000295028668 135379268 /nfs/dbraw/zinc/37/92/68/135379268.db2.gz OIFHYBQGIWVXOB-LLVKDONJSA-N 2 1 225.336 0.056 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC000491508167 398045467 /nfs/dbraw/zinc/04/54/67/398045467.db2.gz YPOUPNFIROJWTB-LBPRGKRZSA-N 2 1 237.347 0.152 20 30 BCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000491508167 398045471 /nfs/dbraw/zinc/04/54/71/398045471.db2.gz YPOUPNFIROJWTB-LBPRGKRZSA-N 2 1 237.347 0.152 20 30 BCEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000491508167 398045472 /nfs/dbraw/zinc/04/54/72/398045472.db2.gz YPOUPNFIROJWTB-LBPRGKRZSA-N 2 1 237.347 0.152 20 30 BCEDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000358134494 173165612 /nfs/dbraw/zinc/16/56/12/173165612.db2.gz JKNDTIXFBJDDRS-AWEZNQCLSA-N 2 1 245.326 0.714 20 30 BCEDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000358134494 173165614 /nfs/dbraw/zinc/16/56/14/173165614.db2.gz JKNDTIXFBJDDRS-AWEZNQCLSA-N 2 1 245.326 0.714 20 30 BCEDMP CNC(NCCC[N@@H+](C)CC(C)C)=[NH+]C ZINC000849046434 588450348 /nfs/dbraw/zinc/45/03/48/588450348.db2.gz GPDUIDDXQJRCNW-UHFFFAOYSA-N 2 1 214.357 0.759 20 30 BCEDMP C=CCC[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000320666471 323182933 /nfs/dbraw/zinc/18/29/33/323182933.db2.gz RMUSPVJGTJZYOA-AAEUAGOBSA-N 2 1 242.363 0.358 20 30 BCEDMP C=CCC[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000320666471 323182934 /nfs/dbraw/zinc/18/29/34/323182934.db2.gz RMUSPVJGTJZYOA-AAEUAGOBSA-N 2 1 242.363 0.358 20 30 BCEDMP C=CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374997329 534846916 /nfs/dbraw/zinc/84/69/16/534846916.db2.gz JVRWUQORJRDPAF-UHFFFAOYSA-N 2 1 240.347 0.332 20 30 BCEDMP C[N@@H+]1CC[C@](O)(C[NH2+]CC(C)(C)CCC#N)C1 ZINC000358166890 536481710 /nfs/dbraw/zinc/48/17/10/536481710.db2.gz PKUYTSKQRPTYCO-ZDUSSCGKSA-N 2 1 239.363 0.973 20 30 BCEDMP C[N@H+]1CC[C@](O)(C[NH2+]CC(C)(C)CCC#N)C1 ZINC000358166890 536481712 /nfs/dbraw/zinc/48/17/12/536481712.db2.gz PKUYTSKQRPTYCO-ZDUSSCGKSA-N 2 1 239.363 0.973 20 30 BCEDMP CC[N@H+]1CCCC[C@@H]1CNC1=[NH+]CCN1C ZINC000262666613 535476162 /nfs/dbraw/zinc/47/61/62/535476162.db2.gz PAWWDHAYRYBBGQ-LLVKDONJSA-N 2 1 224.352 0.752 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000261531921 535543381 /nfs/dbraw/zinc/54/33/81/535543381.db2.gz IKINYZBCOZMAIR-NXEZZACHSA-N 2 1 210.325 0.408 20 30 BCEDMP CCNC(NCC[N@H+]1CC=CCC1)=[NH+]CC ZINC000279989650 535785992 /nfs/dbraw/zinc/78/59/92/535785992.db2.gz LOSRRUFGMSVMFN-UHFFFAOYSA-N 2 1 224.352 0.823 20 30 BCEDMP CCNC(NCC[N@@H+]1CC=CCC1)=[NH+]CC ZINC000279989650 535785993 /nfs/dbraw/zinc/78/59/93/535785993.db2.gz LOSRRUFGMSVMFN-UHFFFAOYSA-N 2 1 224.352 0.823 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853106487 588720744 /nfs/dbraw/zinc/72/07/44/588720744.db2.gz ALSVNBDIVHOKQA-CQSZACIVSA-N 2 1 247.342 0.660 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853106487 588720745 /nfs/dbraw/zinc/72/07/45/588720745.db2.gz ALSVNBDIVHOKQA-CQSZACIVSA-N 2 1 247.342 0.660 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000855360035 588829227 /nfs/dbraw/zinc/82/92/27/588829227.db2.gz GRZJFKNMCUOQHT-GFCCVEGCSA-N 2 1 239.363 0.657 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000856073573 588859686 /nfs/dbraw/zinc/85/96/86/588859686.db2.gz SPQMCGSIPDDMAZ-LBPRGKRZSA-N 2 1 239.363 0.705 20 30 BCEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=NC(N)=[NH2+] ZINC000751515865 583913270 /nfs/dbraw/zinc/91/32/70/583913270.db2.gz ACUUCIRNEAGXIS-JTQLQIEISA-N 2 1 245.330 0.977 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000900366553 584296896 /nfs/dbraw/zinc/29/68/96/584296896.db2.gz CEOXBVJRYSTDTC-UHFFFAOYSA-N 2 1 239.363 0.705 20 30 BCEDMP C=CC[NH+]1CCC(NC(=O)Cc2cnc[nH]2)CC1 ZINC000900597948 584330450 /nfs/dbraw/zinc/33/04/50/584330450.db2.gz CVZLRPSALQIYSQ-UHFFFAOYSA-N 2 1 248.330 0.719 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000900847391 584356614 /nfs/dbraw/zinc/35/66/14/584356614.db2.gz OVFGXDFBDIPLHX-GFCCVEGCSA-N 2 1 239.363 0.657 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000900847391 584356615 /nfs/dbraw/zinc/35/66/15/584356615.db2.gz OVFGXDFBDIPLHX-GFCCVEGCSA-N 2 1 239.363 0.657 20 30 BCEDMP C#C[C@H]1COCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903930078 584824163 /nfs/dbraw/zinc/82/41/63/584824163.db2.gz RLBXPLGXHIVPTD-GSPSYOTPSA-N 2 1 234.343 0.851 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CC)CC1 ZINC000763876618 585455937 /nfs/dbraw/zinc/45/59/37/585455937.db2.gz VRXUWCSMOPMGFB-UHFFFAOYSA-N 2 1 225.336 0.268 20 30 BCEDMP C[C@@H]1CNC(NN=C2C[C@@H](C)[N@@H+](C3CC3)C2)=[NH+]1 ZINC000779799562 585764623 /nfs/dbraw/zinc/76/46/23/585764623.db2.gz VKOBZGRGHZDPDO-RKDXNWHRSA-N 2 1 235.335 0.536 20 30 BCEDMP C[C@@H]1CNC(NN=C2C[C@@H](C)[N@H+](C3CC3)C2)=[NH+]1 ZINC000779799562 585764624 /nfs/dbraw/zinc/76/46/24/585764624.db2.gz VKOBZGRGHZDPDO-RKDXNWHRSA-N 2 1 235.335 0.536 20 30 BCEDMP C[C@H]1CNC(NN=C2C[C@H](C)[N@@H+](C3CC3)C2)=[NH+]1 ZINC000779799561 585764639 /nfs/dbraw/zinc/76/46/39/585764639.db2.gz VKOBZGRGHZDPDO-IUCAKERBSA-N 2 1 235.335 0.536 20 30 BCEDMP C[C@H]1CNC(NN=C2C[C@H](C)[N@H+](C3CC3)C2)=[NH+]1 ZINC000779799561 585764640 /nfs/dbraw/zinc/76/46/40/585764640.db2.gz VKOBZGRGHZDPDO-IUCAKERBSA-N 2 1 235.335 0.536 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000804381520 586394581 /nfs/dbraw/zinc/39/45/81/586394581.db2.gz PLPFBASDSROKKP-LBPRGKRZSA-N 2 1 239.363 0.657 20 30 BCEDMP CC(C)[N@H+]1CC(N=NC2=[NH+]CCN2)[C@@H](C)C1 ZINC000841661747 587970255 /nfs/dbraw/zinc/97/02/55/587970255.db2.gz RSBAXKHHAXQINP-VIFPVBQESA-N 2 1 223.324 0.251 20 30 BCEDMP CC(C)[N@@H+]1CC(N=NC2=[NH+]CCN2)[C@@H](C)C1 ZINC000841661747 587970256 /nfs/dbraw/zinc/97/02/56/587970256.db2.gz RSBAXKHHAXQINP-VIFPVBQESA-N 2 1 223.324 0.251 20 30 BCEDMP CC(C)[N@H+]1CC(N=NC2=[NH+]CCN2)[C@H](C)C1 ZINC000841661743 587970499 /nfs/dbraw/zinc/97/04/99/587970499.db2.gz RSBAXKHHAXQINP-SECBINFHSA-N 2 1 223.324 0.251 20 30 BCEDMP CC(C)[N@@H+]1CC(N=NC2=[NH+]CCN2)[C@H](C)C1 ZINC000841661743 587970501 /nfs/dbraw/zinc/97/05/01/587970501.db2.gz RSBAXKHHAXQINP-SECBINFHSA-N 2 1 223.324 0.251 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000848021304 588348559 /nfs/dbraw/zinc/34/85/59/588348559.db2.gz XBQHEWBJIJOESE-UHFFFAOYSA-N 2 1 237.347 0.482 20 30 BCEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC1CC1 ZINC000848992498 588427656 /nfs/dbraw/zinc/42/76/56/588427656.db2.gz DRFJEUDFCKUSQY-SNVBAGLBSA-N 2 1 236.363 0.798 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1 ZINC000848992555 588427694 /nfs/dbraw/zinc/42/76/94/588427694.db2.gz JEKLNEFOWTYTEP-JTQLQIEISA-N 2 1 210.325 0.628 20 30 BCEDMP CCNC(NCC[N@H+]1CC[C@@H](C)C1)=[NH+]CC ZINC000849004166 588431780 /nfs/dbraw/zinc/43/17/80/588431780.db2.gz DGIWVUPCCDFVAX-LLVKDONJSA-N 2 1 226.368 0.903 20 30 BCEDMP COC1CC[NH+](CCNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000849011841 588435472 /nfs/dbraw/zinc/43/54/72/588435472.db2.gz QPQBJWHKDADUDV-SNVBAGLBSA-N 2 1 240.351 0.035 20 30 BCEDMP CNC(NCC[N@H+]1CCCC(C)(C)C1)=[NH+]C ZINC000849023222 588439564 /nfs/dbraw/zinc/43/95/64/588439564.db2.gz ZOJGIDJECZMGDM-UHFFFAOYSA-N 2 1 226.368 0.903 20 30 BCEDMP C#CCOCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580315 590819683 /nfs/dbraw/zinc/81/96/83/590819683.db2.gz SINJYTYAYBRDIW-OLZOCXBDSA-N 2 1 222.332 0.662 20 30 BCEDMP C#CCOCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580315 590819685 /nfs/dbraw/zinc/81/96/85/590819685.db2.gz SINJYTYAYBRDIW-OLZOCXBDSA-N 2 1 222.332 0.662 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580315 590819688 /nfs/dbraw/zinc/81/96/88/590819688.db2.gz SINJYTYAYBRDIW-OLZOCXBDSA-N 2 1 222.332 0.662 20 30 BCEDMP C#CCOCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580315 590819689 /nfs/dbraw/zinc/81/96/89/590819689.db2.gz SINJYTYAYBRDIW-OLZOCXBDSA-N 2 1 222.332 0.662 20 30 BCEDMP COCC#CCN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880137766 590940741 /nfs/dbraw/zinc/94/07/41/590940741.db2.gz KNBMGMOWSNAQMX-CHWSQXEVSA-N 2 1 222.332 0.805 20 30 BCEDMP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000883389687 591632233 /nfs/dbraw/zinc/63/22/33/591632233.db2.gz WMSIIMPBCRJKPV-LBPRGKRZSA-N 2 1 212.337 0.997 20 30 BCEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001028314883 635649049 /nfs/dbraw/zinc/64/90/49/635649049.db2.gz FIDKUSQFTZWQMM-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028314883 635649053 /nfs/dbraw/zinc/64/90/53/635649053.db2.gz FIDKUSQFTZWQMM-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028314883 635649057 /nfs/dbraw/zinc/64/90/57/635649057.db2.gz FIDKUSQFTZWQMM-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001028447193 635674622 /nfs/dbraw/zinc/67/46/22/635674622.db2.gz NLWKSMIHOSNHAD-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447193 635674625 /nfs/dbraw/zinc/67/46/25/635674625.db2.gz NLWKSMIHOSNHAD-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028447193 635674627 /nfs/dbraw/zinc/67/46/27/635674627.db2.gz NLWKSMIHOSNHAD-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001022973360 632089077 /nfs/dbraw/zinc/08/90/77/632089077.db2.gz IEQXNUZUTPUAOX-UPJWGTAASA-N 2 1 249.358 0.198 20 30 BCEDMP CC(C)[N@@H+](C)CCCNC(=[NH2+])NC1CC1 ZINC000066245421 632861541 /nfs/dbraw/zinc/86/15/41/632861541.db2.gz XVYKVFNGKMWYEM-UHFFFAOYSA-N 2 1 212.341 0.783 20 30 BCEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N(C)C)C1 ZINC000170910531 633176960 /nfs/dbraw/zinc/17/69/60/633176960.db2.gz RWVONTPADVYYRL-JTQLQIEISA-N 2 1 212.341 0.595 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](COC)C1CC1 ZINC000327999774 633212954 /nfs/dbraw/zinc/21/29/54/633212954.db2.gz NOLZTRNSXBQRME-ZDUSSCGKSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](COC)C1CC1 ZINC000327999774 633212962 /nfs/dbraw/zinc/21/29/62/633212962.db2.gz NOLZTRNSXBQRME-ZDUSSCGKSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000328178344 633735728 /nfs/dbraw/zinc/73/57/28/633735728.db2.gz MMKQIHCJOLZUSU-GFCCVEGCSA-N 2 1 237.347 0.200 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000328178344 633735740 /nfs/dbraw/zinc/73/57/40/633735740.db2.gz MMKQIHCJOLZUSU-GFCCVEGCSA-N 2 1 237.347 0.200 20 30 BCEDMP CCC[N@@H+](CC)CCNC(NC)=[NH+]C ZINC000081781386 634131114 /nfs/dbraw/zinc/13/11/14/634131114.db2.gz YKBTVNVSHQMCIR-UHFFFAOYSA-N 2 1 200.330 0.513 20 30 BCEDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925609211 634145690 /nfs/dbraw/zinc/14/56/90/634145690.db2.gz QOPPBABYQGMADF-AAEUAGOBSA-N 2 1 236.363 0.704 20 30 BCEDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925609214 634147005 /nfs/dbraw/zinc/14/70/05/634147005.db2.gz QOPPBABYQGMADF-YPMHNXCESA-N 2 1 236.363 0.704 20 30 BCEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)C1 ZINC000194684466 634329610 /nfs/dbraw/zinc/32/96/10/634329610.db2.gz XASJPWGERLNUKX-UWVGGRQHSA-N 2 1 212.341 0.641 20 30 BCEDMP C#CCOCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931313375 640149507 /nfs/dbraw/zinc/14/95/07/640149507.db2.gz AYNPCIGKMRJIET-ZIAGYGMSSA-N 2 1 236.359 0.910 20 30 BCEDMP C#CCOCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931442073 640207485 /nfs/dbraw/zinc/20/74/85/640207485.db2.gz TWKGWTKXOLSYGS-OLZOCXBDSA-N 2 1 222.332 0.520 20 30 BCEDMP C#CCOCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442073 640207489 /nfs/dbraw/zinc/20/74/89/640207489.db2.gz TWKGWTKXOLSYGS-OLZOCXBDSA-N 2 1 222.332 0.520 20 30 BCEDMP C#CCOCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931442073 640207493 /nfs/dbraw/zinc/20/74/93/640207493.db2.gz TWKGWTKXOLSYGS-OLZOCXBDSA-N 2 1 222.332 0.520 20 30 BCEDMP C=C(C)[C@H](CO)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931439812 640207926 /nfs/dbraw/zinc/20/79/26/640207926.db2.gz OLKYEYQWVKFZEF-AGIUHOORSA-N 2 1 224.348 0.807 20 30 BCEDMP C=C(C)[C@H](CO)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439812 640207932 /nfs/dbraw/zinc/20/79/32/640207932.db2.gz OLKYEYQWVKFZEF-AGIUHOORSA-N 2 1 224.348 0.807 20 30 BCEDMP C=C(C)[C@H](CO)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931439812 640207936 /nfs/dbraw/zinc/20/79/36/640207936.db2.gz OLKYEYQWVKFZEF-AGIUHOORSA-N 2 1 224.348 0.807 20 30 BCEDMP CC(CC[NH+](C)C)=NN1CC[NH+](C)CC1 ZINC000915933569 641888849 /nfs/dbraw/zinc/88/88/49/641888849.db2.gz BUQJSAAELSBQMU-UHFFFAOYSA-N 2 1 212.341 0.561 20 30 BCEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031585151 642337854 /nfs/dbraw/zinc/33/78/54/642337854.db2.gz QSYJASZJXLSVJV-CYBMUJFWSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962554983 642730118 /nfs/dbraw/zinc/73/01/18/642730118.db2.gz LCRVUGOVTAUOIL-IMRBUKKESA-N 2 1 249.358 0.315 20 30 BCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962560776 642731073 /nfs/dbraw/zinc/73/10/73/642731073.db2.gz WYRVHMOFZSXCOG-NDBYEHHHSA-N 2 1 249.358 0.171 20 30 BCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962560776 642731076 /nfs/dbraw/zinc/73/10/76/642731076.db2.gz WYRVHMOFZSXCOG-NDBYEHHHSA-N 2 1 249.358 0.171 20 30 BCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962560776 642731080 /nfs/dbraw/zinc/73/10/80/642731080.db2.gz WYRVHMOFZSXCOG-NDBYEHHHSA-N 2 1 249.358 0.171 20 30 BCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031774136 642837502 /nfs/dbraw/zinc/83/75/02/642837502.db2.gz PDKDJXUILFXRAE-CYBMUJFWSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031774136 642837504 /nfs/dbraw/zinc/83/75/04/642837504.db2.gz PDKDJXUILFXRAE-CYBMUJFWSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010370606 642861745 /nfs/dbraw/zinc/86/17/45/642861745.db2.gz ZAVYTWBMJRIPBK-NWDGAFQWSA-N 2 1 237.347 0.457 20 30 BCEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370606 642861746 /nfs/dbraw/zinc/86/17/46/642861746.db2.gz ZAVYTWBMJRIPBK-NWDGAFQWSA-N 2 1 237.347 0.457 20 30 BCEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370606 642861749 /nfs/dbraw/zinc/86/17/49/642861749.db2.gz ZAVYTWBMJRIPBK-NWDGAFQWSA-N 2 1 237.347 0.457 20 30 BCEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016251550 642950475 /nfs/dbraw/zinc/95/04/75/642950475.db2.gz VSQCMSQMPHZFKE-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016251550 642950480 /nfs/dbraw/zinc/95/04/80/642950480.db2.gz VSQCMSQMPHZFKE-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016256949 642955377 /nfs/dbraw/zinc/95/53/77/642955377.db2.gz TXAPAFJHEVLHCO-NWDGAFQWSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016256949 642955387 /nfs/dbraw/zinc/95/53/87/642955387.db2.gz TXAPAFJHEVLHCO-NWDGAFQWSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016256949 642955396 /nfs/dbraw/zinc/95/53/96/642955396.db2.gz TXAPAFJHEVLHCO-NWDGAFQWSA-N 2 1 237.347 0.315 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001018971549 643016170 /nfs/dbraw/zinc/01/61/70/643016170.db2.gz GLKIESVYIXJYFL-LBPRGKRZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001019380850 643029718 /nfs/dbraw/zinc/02/97/18/643029718.db2.gz OJRGJZGOMAXWDB-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001019380849 643029843 /nfs/dbraw/zinc/02/98/43/643029843.db2.gz OJRGJZGOMAXWDB-OLZOCXBDSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969380330 643158746 /nfs/dbraw/zinc/15/87/46/643158746.db2.gz DBDMTJJUKXTLOL-AAEUAGOBSA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000969380330 643158752 /nfs/dbraw/zinc/15/87/52/643158752.db2.gz DBDMTJJUKXTLOL-AAEUAGOBSA-N 2 1 249.358 0.150 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923291800 644328416 /nfs/dbraw/zinc/32/84/16/644328416.db2.gz UONHXDFCHAHXDA-SDDRHHMPSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923291803 644329149 /nfs/dbraw/zinc/32/91/49/644329149.db2.gz UONHXDFCHAHXDA-SRVKXCTJSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923358651 644368304 /nfs/dbraw/zinc/36/83/04/644368304.db2.gz JKNZSSGQBGKFEB-FRRDWIJNSA-N 2 1 224.348 0.997 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923499127 644473300 /nfs/dbraw/zinc/47/33/00/644473300.db2.gz KCRVIUVPJWKTPH-SRVKXCTJSA-N 2 1 239.363 0.594 20 30 BCEDMP CC(C)[N@H+]1CC(=NNC2=[NH+][C@H](C)CN2)[C@H](C)C1 ZINC000779797731 644715786 /nfs/dbraw/zinc/71/57/86/644715786.db2.gz IQZVYJQCSPGTTE-NXEZZACHSA-N 2 1 237.351 0.640 20 30 BCEDMP CC(C)[N@@H+]1CC(=NNC2=[NH+][C@H](C)CN2)[C@H](C)C1 ZINC000779797731 644715788 /nfs/dbraw/zinc/71/57/88/644715788.db2.gz IQZVYJQCSPGTTE-NXEZZACHSA-N 2 1 237.351 0.640 20 30 BCEDMP C=CCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000786447763 644775866 /nfs/dbraw/zinc/77/58/66/644775866.db2.gz YMIZVQIYXNOLOT-GFCCVEGCSA-N 2 1 212.337 0.951 20 30 BCEDMP CCNC(NC[C@H]1CC[N@@H+](C)C1)=[NH+]CC ZINC000303253531 644811983 /nfs/dbraw/zinc/81/19/83/644811983.db2.gz CYMMTBFXGWBRBC-SNVBAGLBSA-N 2 1 212.341 0.513 20 30 BCEDMP CNC(NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)=[NH+]C ZINC000303261226 644813214 /nfs/dbraw/zinc/81/32/14/644813214.db2.gz ODNRUCRYHQNWBJ-MNOVXSKESA-N 2 1 226.368 0.902 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000303696815 644839165 /nfs/dbraw/zinc/83/91/65/644839165.db2.gz FHUHUKPALRQZFN-QWRGUYRKSA-N 2 1 242.367 0.410 20 30 BCEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000303895830 644855994 /nfs/dbraw/zinc/85/59/94/644855994.db2.gz PQOYWGYTOPFMML-RYUDHWBXSA-N 2 1 238.379 0.985 20 30 BCEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@H](C)COC ZINC000303969061 644860588 /nfs/dbraw/zinc/86/05/88/644860588.db2.gz BJHRUBWNUBRXFE-MNOVXSKESA-N 2 1 244.383 0.656 20 30 BCEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+](C)C1)N(C)C ZINC000304745927 644929314 /nfs/dbraw/zinc/92/93/14/644929314.db2.gz FJMRKNJGWYYGNQ-LLVKDONJSA-N 2 1 226.368 0.807 20 30 BCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000876806216 645786907 /nfs/dbraw/zinc/78/69/07/645786907.db2.gz LOGFSNGOHHTEOM-JTQLQIEISA-N 2 1 245.754 0.620 20 30 BCEDMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000929848447 646358064 /nfs/dbraw/zinc/35/80/64/646358064.db2.gz SHRFBXNAHNRAQN-UPJWGTAASA-N 2 1 237.347 0.677 20 30 BCEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000929848447 646358069 /nfs/dbraw/zinc/35/80/69/646358069.db2.gz SHRFBXNAHNRAQN-UPJWGTAASA-N 2 1 237.347 0.677 20 30 BCEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000929848447 646358071 /nfs/dbraw/zinc/35/80/71/646358071.db2.gz SHRFBXNAHNRAQN-UPJWGTAASA-N 2 1 237.347 0.677 20 30 BCEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000929848447 646358072 /nfs/dbraw/zinc/35/80/72/646358072.db2.gz SHRFBXNAHNRAQN-UPJWGTAASA-N 2 1 237.347 0.677 20 30 BCEDMP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000929848448 646358536 /nfs/dbraw/zinc/35/85/36/646358536.db2.gz SHRFBXNAHNRAQN-XQQFMLRXSA-N 2 1 237.347 0.677 20 30 BCEDMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000929848448 646358539 /nfs/dbraw/zinc/35/85/39/646358539.db2.gz SHRFBXNAHNRAQN-XQQFMLRXSA-N 2 1 237.347 0.677 20 30 BCEDMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000929848448 646358543 /nfs/dbraw/zinc/35/85/43/646358543.db2.gz SHRFBXNAHNRAQN-XQQFMLRXSA-N 2 1 237.347 0.677 20 30 BCEDMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)CC#N)CC[C@@H]21 ZINC000929848448 646358548 /nfs/dbraw/zinc/35/85/48/646358548.db2.gz SHRFBXNAHNRAQN-XQQFMLRXSA-N 2 1 237.347 0.677 20 30 BCEDMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC#N)CC[C@H]21 ZINC000929848446 646359550 /nfs/dbraw/zinc/35/95/50/646359550.db2.gz SHRFBXNAHNRAQN-JHJVBQTASA-N 2 1 237.347 0.677 20 30 BCEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC#N)CC[C@H]21 ZINC000929848446 646359553 /nfs/dbraw/zinc/35/95/53/646359553.db2.gz SHRFBXNAHNRAQN-JHJVBQTASA-N 2 1 237.347 0.677 20 30 BCEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)CC#N)CC[C@H]21 ZINC000929848446 646359555 /nfs/dbraw/zinc/35/95/55/646359555.db2.gz SHRFBXNAHNRAQN-JHJVBQTASA-N 2 1 237.347 0.677 20 30 BCEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)CC#N)CC[C@H]21 ZINC000929848446 646359556 /nfs/dbraw/zinc/35/95/56/646359556.db2.gz SHRFBXNAHNRAQN-JHJVBQTASA-N 2 1 237.347 0.677 20 30 BCEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925647901 646388946 /nfs/dbraw/zinc/38/89/46/646388946.db2.gz KCBCYQPUIHKUIL-GHMZBOCLSA-N 2 1 210.321 0.798 20 30 BCEDMP C=CC[C@H](CO)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925647902 646389530 /nfs/dbraw/zinc/38/95/30/646389530.db2.gz KCBCYQPUIHKUIL-MNOVXSKESA-N 2 1 210.321 0.798 20 30 BCEDMP CC[N@H+]1CC[C@H](N(C)C[C@H](O)CC#N)[C@@H](C)C1 ZINC000929998481 646390315 /nfs/dbraw/zinc/39/03/15/646390315.db2.gz FHYDAPXOSGTRLM-XQQFMLRXSA-N 2 1 239.363 0.923 20 30 BCEDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC#N)[C@@H](C)C1 ZINC000929998481 646390322 /nfs/dbraw/zinc/39/03/22/646390322.db2.gz FHYDAPXOSGTRLM-XQQFMLRXSA-N 2 1 239.363 0.923 20 30 BCEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CC#N)[C@@H](C)C1 ZINC000929998481 646390339 /nfs/dbraw/zinc/39/03/39/646390339.db2.gz FHYDAPXOSGTRLM-XQQFMLRXSA-N 2 1 239.363 0.923 20 30 BCEDMP C#CC[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000717839983 712686934 /nfs/dbraw/zinc/68/69/34/712686934.db2.gz CCFNWNUOZDXRHQ-GFCCVEGCSA-N 2 1 222.332 0.587 20 30 BCEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039027157 710717076 /nfs/dbraw/zinc/71/70/76/710717076.db2.gz JDAKWVLZPMYRPT-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039027157 710717078 /nfs/dbraw/zinc/71/70/78/710717078.db2.gz JDAKWVLZPMYRPT-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039027157 710717081 /nfs/dbraw/zinc/71/70/81/710717081.db2.gz JDAKWVLZPMYRPT-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039027157 710717084 /nfs/dbraw/zinc/71/70/84/710717084.db2.gz JDAKWVLZPMYRPT-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039016737 710718514 /nfs/dbraw/zinc/71/85/14/710718514.db2.gz KNQJCGVHFXUUHO-RYUDHWBXSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039016737 710718517 /nfs/dbraw/zinc/71/85/17/710718517.db2.gz KNQJCGVHFXUUHO-RYUDHWBXSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039016737 710718522 /nfs/dbraw/zinc/71/85/22/710718522.db2.gz KNQJCGVHFXUUHO-RYUDHWBXSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039016737 710718526 /nfs/dbraw/zinc/71/85/26/710718526.db2.gz KNQJCGVHFXUUHO-RYUDHWBXSA-N 2 1 237.347 0.315 20 30 BCEDMP C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046190827 710855475 /nfs/dbraw/zinc/85/54/75/710855475.db2.gz XIGXZEIFDIKNKO-TZMCWYRMSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046190827 710855482 /nfs/dbraw/zinc/85/54/82/710855482.db2.gz XIGXZEIFDIKNKO-TZMCWYRMSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046190827 710855485 /nfs/dbraw/zinc/85/54/85/710855485.db2.gz XIGXZEIFDIKNKO-TZMCWYRMSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046190827 710855487 /nfs/dbraw/zinc/85/54/87/710855487.db2.gz XIGXZEIFDIKNKO-TZMCWYRMSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032782251 711938734 /nfs/dbraw/zinc/93/87/34/711938734.db2.gz ZNUKHCXBDTXCBI-AGIUHOORSA-N 2 1 249.358 0.409 20 30 BCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032782251 711938737 /nfs/dbraw/zinc/93/87/37/711938737.db2.gz ZNUKHCXBDTXCBI-AGIUHOORSA-N 2 1 249.358 0.409 20 30 BCEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032782251 711938739 /nfs/dbraw/zinc/93/87/39/711938739.db2.gz ZNUKHCXBDTXCBI-AGIUHOORSA-N 2 1 249.358 0.409 20 30 BCEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032782251 711938742 /nfs/dbraw/zinc/93/87/42/711938742.db2.gz ZNUKHCXBDTXCBI-AGIUHOORSA-N 2 1 249.358 0.409 20 30 BCEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032782251 711938744 /nfs/dbraw/zinc/93/87/44/711938744.db2.gz ZNUKHCXBDTXCBI-AGIUHOORSA-N 2 1 249.358 0.409 20 30 BCEDMP C=C(Cl)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000379924125 712627776 /nfs/dbraw/zinc/62/77/76/712627776.db2.gz SVGHSFGFVWHKHJ-LLVKDONJSA-N 2 1 229.755 0.718 20 30 BCEDMP C=C(Cl)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000379924125 712627777 /nfs/dbraw/zinc/62/77/77/712627777.db2.gz SVGHSFGFVWHKHJ-LLVKDONJSA-N 2 1 229.755 0.718 20 30 BCEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000717795724 712678072 /nfs/dbraw/zinc/67/80/72/712678072.db2.gz UUALOVDAGIRADL-IJLUTSLNSA-N 2 1 210.321 0.443 20 30 BCEDMP C#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000717795724 712678073 /nfs/dbraw/zinc/67/80/73/712678073.db2.gz UUALOVDAGIRADL-IJLUTSLNSA-N 2 1 210.321 0.443 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000166223761 136309192 /nfs/dbraw/zinc/30/91/92/136309192.db2.gz IKNWPIRIOVCHPZ-GARJFASQSA-N 2 1 225.336 0.346 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000166223761 136309193 /nfs/dbraw/zinc/30/91/93/136309193.db2.gz IKNWPIRIOVCHPZ-GARJFASQSA-N 2 1 225.336 0.346 20 30 BCEDMP C[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600713573 344362254 /nfs/dbraw/zinc/36/22/54/344362254.db2.gz CHYUKRFPYACSIB-LBPRGKRZSA-N 2 1 237.347 0.725 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H]([NH3+])C[C@@H]2C)C1=O ZINC000563349500 323120134 /nfs/dbraw/zinc/12/01/34/323120134.db2.gz RTGZPOZMNVVLQC-SRVKXCTJSA-N 2 1 237.347 0.585 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)C1=O ZINC000563349500 323120135 /nfs/dbraw/zinc/12/01/35/323120135.db2.gz RTGZPOZMNVVLQC-SRVKXCTJSA-N 2 1 237.347 0.585 20 30 BCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802696 362762427 /nfs/dbraw/zinc/76/24/27/362762427.db2.gz ARFJACLYLVOCAW-AEJSXWLSSA-N 2 1 225.336 0.393 20 30 BCEDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309553801 347099852 /nfs/dbraw/zinc/09/98/52/347099852.db2.gz JBFHXLYYSRFDEK-SRVKXCTJSA-N 2 1 223.320 0.335 20 30 BCEDMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309553801 347099854 /nfs/dbraw/zinc/09/98/54/347099854.db2.gz JBFHXLYYSRFDEK-SRVKXCTJSA-N 2 1 223.320 0.335 20 30 BCEDMP C=C[C@H](CO)NCc1ncc(C[NH+](C)C)s1 ZINC000309678735 347134718 /nfs/dbraw/zinc/13/47/18/347134718.db2.gz YUPJBZGKHCMHDJ-SECBINFHSA-N 2 1 241.360 0.841 20 30 BCEDMP C[N@H+]1CCC[C@H]1CCN1CC[C@@](O)(CC#N)C1 ZINC000592150151 347740789 /nfs/dbraw/zinc/74/07/89/347740789.db2.gz AFNZKWMGYCQPPO-STQMWFEESA-N 2 1 237.347 0.821 20 30 BCEDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@](O)(CC#N)C1 ZINC000592150151 347740792 /nfs/dbraw/zinc/74/07/92/347740792.db2.gz AFNZKWMGYCQPPO-STQMWFEESA-N 2 1 237.347 0.821 20 30 BCEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](O)(CC#N)C1 ZINC000592150151 347740794 /nfs/dbraw/zinc/74/07/94/347740794.db2.gz AFNZKWMGYCQPPO-STQMWFEESA-N 2 1 237.347 0.821 20 30 BCEDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150151 347740796 /nfs/dbraw/zinc/74/07/96/347740796.db2.gz AFNZKWMGYCQPPO-STQMWFEESA-N 2 1 237.347 0.821 20 30 BCEDMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150151 347740798 /nfs/dbraw/zinc/74/07/98/347740798.db2.gz AFNZKWMGYCQPPO-STQMWFEESA-N 2 1 237.347 0.821 20 30 BCEDMP C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)C[NH3+] ZINC000061950768 349412189 /nfs/dbraw/zinc/41/21/89/349412189.db2.gz QPXAKGZXNNMEIY-GFCCVEGCSA-N 2 1 219.288 0.310 20 30 BCEDMP C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)C[NH3+] ZINC000061950768 349412191 /nfs/dbraw/zinc/41/21/91/349412191.db2.gz QPXAKGZXNNMEIY-GFCCVEGCSA-N 2 1 219.288 0.310 20 30 BCEDMP CCNC(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000264116573 351220004 /nfs/dbraw/zinc/22/00/04/351220004.db2.gz SXKDOSCBJMEOTO-UHFFFAOYSA-N 2 1 246.358 0.969 20 30 BCEDMP CCNC(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000264116573 351220009 /nfs/dbraw/zinc/22/00/09/351220009.db2.gz SXKDOSCBJMEOTO-UHFFFAOYSA-N 2 1 246.358 0.969 20 30 BCEDMP CCN(CC)C(=[NH2+])NCC[N@H+]1CC=CCC1 ZINC000279927224 351828991 /nfs/dbraw/zinc/82/89/91/351828991.db2.gz FTMQBPZLGNMYLW-UHFFFAOYSA-N 2 1 224.352 0.905 20 30 BCEDMP CCN(CC)C(=[NH2+])NCC[N@@H+]1CC=CCC1 ZINC000279927224 351828994 /nfs/dbraw/zinc/82/89/94/351828994.db2.gz FTMQBPZLGNMYLW-UHFFFAOYSA-N 2 1 224.352 0.905 20 30 BCEDMP C=C[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336734859 351898793 /nfs/dbraw/zinc/89/87/93/351898793.db2.gz NPQHSVVZHWVYKZ-WOPDTQHZSA-N 2 1 210.321 0.750 20 30 BCEDMP C=C[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336734859 351898795 /nfs/dbraw/zinc/89/87/95/351898795.db2.gz NPQHSVVZHWVYKZ-WOPDTQHZSA-N 2 1 210.321 0.750 20 30 BCEDMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000336781991 353704647 /nfs/dbraw/zinc/70/46/47/353704647.db2.gz WIUAUKWEIGXILB-IJLUTSLNSA-N 2 1 225.336 0.581 20 30 BCEDMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CC#N)CC1 ZINC000397187303 357508935 /nfs/dbraw/zinc/50/89/35/357508935.db2.gz MODMSMYWEQGQND-ZDUSSCGKSA-N 2 1 239.363 0.925 20 30 BCEDMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC#N)CC1 ZINC000397187303 357508938 /nfs/dbraw/zinc/50/89/38/357508938.db2.gz MODMSMYWEQGQND-ZDUSSCGKSA-N 2 1 239.363 0.925 20 30 BCEDMP C#CCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000362639477 134213578 /nfs/dbraw/zinc/21/35/78/134213578.db2.gz KSJRPIWLRWRJOD-CYBMUJFWSA-N 2 1 235.375 0.720 20 30 BCEDMP C#CCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362639477 134213579 /nfs/dbraw/zinc/21/35/79/134213579.db2.gz KSJRPIWLRWRJOD-CYBMUJFWSA-N 2 1 235.375 0.720 20 30 BCEDMP C#CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378314679 134245814 /nfs/dbraw/zinc/24/58/14/134245814.db2.gz HWBMJWOAMJNPEA-GJZGRUSLSA-N 2 1 249.402 0.968 20 30 BCEDMP C=CC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107371766 358438897 /nfs/dbraw/zinc/43/88/97/358438897.db2.gz NIYZBZSRANLQGL-CYBMUJFWSA-N 2 1 223.364 0.884 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308942839 491140848 /nfs/dbraw/zinc/14/08/48/491140848.db2.gz QYWYOSKQPSBOHG-GRYCIOLGSA-N 2 1 210.321 0.465 20 30 BCEDMP C=CCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630589413 364294756 /nfs/dbraw/zinc/29/47/56/364294756.db2.gz YVEQPWRCRWCLGZ-UHFFFAOYSA-N 2 1 235.335 0.430 20 30 BCEDMP C=C(C)CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000386688363 368009646 /nfs/dbraw/zinc/00/96/46/368009646.db2.gz JWLILPKTDCOLEI-GFCCVEGCSA-N 2 1 212.337 0.997 20 30 BCEDMP C=C(C)CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000386688363 368009647 /nfs/dbraw/zinc/00/96/47/368009647.db2.gz JWLILPKTDCOLEI-GFCCVEGCSA-N 2 1 212.337 0.997 20 30 BCEDMP N#Cc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)o1 ZINC000600769293 369563947 /nfs/dbraw/zinc/56/39/47/369563947.db2.gz LNNNNWMERYXIQK-UHFFFAOYSA-N 2 1 235.287 0.437 20 30 BCEDMP C#CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000267425497 532998668 /nfs/dbraw/zinc/99/86/68/532998668.db2.gz LIKCGXKLTXFAEF-NSHDSACASA-N 2 1 222.336 0.398 20 30 BCEDMP CC[C@@H](CC#N)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000564465332 384870022 /nfs/dbraw/zinc/87/00/22/384870022.db2.gz LDNUUHTZBGSLTM-JQWIXIFHSA-N 2 1 225.336 0.723 20 30 BCEDMP Cn1cc(C[NH2+]CCC[NH+](C)C)cc1C#N ZINC000189576357 385190299 /nfs/dbraw/zinc/19/02/99/385190299.db2.gz LKFGZUXGIRXIKD-UHFFFAOYSA-N 2 1 220.320 0.938 20 30 BCEDMP C=C[C@@H](CO)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000308975230 385330385 /nfs/dbraw/zinc/33/03/85/385330385.db2.gz GLUVYCAWLZJJET-NSHDSACASA-N 2 1 212.337 0.996 20 30 BCEDMP C=CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000309018385 385372637 /nfs/dbraw/zinc/37/26/37/385372637.db2.gz VPNYXYQGTLYLGZ-NWDGAFQWSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000309018385 385372640 /nfs/dbraw/zinc/37/26/40/385372640.db2.gz VPNYXYQGTLYLGZ-NWDGAFQWSA-N 2 1 212.337 0.997 20 30 BCEDMP C#CCNC(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]CC ZINC000262751863 533142730 /nfs/dbraw/zinc/14/27/30/533142730.db2.gz GTFXTLJRZVFUBW-LLVKDONJSA-N 2 1 234.347 0.411 20 30 BCEDMP C#CCNC(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]CC ZINC000262751863 533142734 /nfs/dbraw/zinc/14/27/34/533142734.db2.gz GTFXTLJRZVFUBW-LLVKDONJSA-N 2 1 234.347 0.411 20 30 BCEDMP C#CCNC(NC[C@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000262629093 533141633 /nfs/dbraw/zinc/14/16/33/533141633.db2.gz VGMLITHCRSQBFI-LLVKDONJSA-N 2 1 234.347 0.269 20 30 BCEDMP C#CCNC(NCC[N@@H+](C)C1CCCC1)=[NH+]C ZINC000262766596 533142083 /nfs/dbraw/zinc/14/20/83/533142083.db2.gz GGMSCIIKYKBKQX-UHFFFAOYSA-N 2 1 236.363 0.659 20 30 BCEDMP C#CCNC(NC[C@@H]1CC[N@@H+](CC)C1)=[NH+]CC ZINC000262602200 533142202 /nfs/dbraw/zinc/14/22/02/533142202.db2.gz DQZYRYONFDYAEG-LBPRGKRZSA-N 2 1 236.363 0.517 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000647830502 385872656 /nfs/dbraw/zinc/87/26/56/385872656.db2.gz LZYGGTXMJUOZGG-MNOVXSKESA-N 2 1 223.320 0.054 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH3+])C2)C1=O ZINC000647830502 385872658 /nfs/dbraw/zinc/87/26/58/385872658.db2.gz LZYGGTXMJUOZGG-MNOVXSKESA-N 2 1 223.320 0.054 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000647830503 385873183 /nfs/dbraw/zinc/87/31/83/385873183.db2.gz LZYGGTXMJUOZGG-QWRGUYRKSA-N 2 1 223.320 0.054 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])C2)C1=O ZINC000647830503 385873189 /nfs/dbraw/zinc/87/31/89/385873189.db2.gz LZYGGTXMJUOZGG-QWRGUYRKSA-N 2 1 223.320 0.054 20 30 BCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC000520396693 386665591 /nfs/dbraw/zinc/66/55/91/386665591.db2.gz DWEOYBROKRSJSA-CYBMUJFWSA-N 2 1 242.363 0.624 20 30 BCEDMP COCC[N@@H+](C)CCNc1cc(C)ncc1C#N ZINC000399523701 386956587 /nfs/dbraw/zinc/95/65/87/386956587.db2.gz RJKAOBHUWSEGMB-UHFFFAOYSA-N 2 1 248.330 0.674 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(O)CC1 ZINC000327958897 387052648 /nfs/dbraw/zinc/05/26/48/387052648.db2.gz CAFGZESSYSGJQV-UHFFFAOYSA-N 2 1 224.348 0.835 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(O)CC1 ZINC000327958897 387052652 /nfs/dbraw/zinc/05/26/52/387052652.db2.gz CAFGZESSYSGJQV-UHFFFAOYSA-N 2 1 224.348 0.835 20 30 BCEDMP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143806 387754656 /nfs/dbraw/zinc/75/46/56/387754656.db2.gz GGNJUXNBDODNBN-QWRGUYRKSA-N 2 1 238.335 0.218 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)OC ZINC000328076343 387864010 /nfs/dbraw/zinc/86/40/10/387864010.db2.gz FUACYFPUQZUUBF-NWDGAFQWSA-N 2 1 212.337 0.955 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)OC ZINC000328076343 387864015 /nfs/dbraw/zinc/86/40/15/387864015.db2.gz FUACYFPUQZUUBF-NWDGAFQWSA-N 2 1 212.337 0.955 20 30 BCEDMP C#C[C@@H](C)[NH+](C)CCOCC[N@H+](C)[C@H](C)C#C ZINC000491673341 388309735 /nfs/dbraw/zinc/30/97/35/388309735.db2.gz UMQXYVNRHULNAG-ZIAGYGMSSA-N 2 1 236.359 0.910 20 30 BCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000491693128 388311364 /nfs/dbraw/zinc/31/13/64/388311364.db2.gz IKOMSHVKNFEQFM-GFCCVEGCSA-N 2 1 237.347 0.009 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000519607222 256652948 /nfs/dbraw/zinc/65/29/48/256652948.db2.gz PMDBYYQOTWCZET-TUAOUCFPSA-N 2 1 237.347 0.442 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000565950505 388981185 /nfs/dbraw/zinc/98/11/85/388981185.db2.gz GCQSYAQYDBGZSL-YPMHNXCESA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000565950505 388981189 /nfs/dbraw/zinc/98/11/89/388981189.db2.gz GCQSYAQYDBGZSL-YPMHNXCESA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368917793 134220764 /nfs/dbraw/zinc/22/07/64/134220764.db2.gz SJDWFSHZOIVOBE-QWRGUYRKSA-N 2 1 238.335 0.150 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375900418 134241148 /nfs/dbraw/zinc/24/11/48/134241148.db2.gz GRCMVWDNFOJXJZ-AWEZNQCLSA-N 2 1 235.375 0.720 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000086638117 135091628 /nfs/dbraw/zinc/09/16/28/135091628.db2.gz ZQXIDHHHWDHLSM-JTQLQIEISA-N 2 1 227.352 0.594 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000086638117 135091630 /nfs/dbraw/zinc/09/16/30/135091630.db2.gz ZQXIDHHHWDHLSM-JTQLQIEISA-N 2 1 227.352 0.594 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000261898248 135112280 /nfs/dbraw/zinc/11/22/80/135112280.db2.gz VKQKSNACKMBHIW-SNVBAGLBSA-N 2 1 222.336 0.561 20 30 BCEDMP C=CCNC(NC[C@H]1CCC[N@H+]1C)=[NH+]C ZINC000262949357 135123702 /nfs/dbraw/zinc/12/37/02/135123702.db2.gz BMQDYUWXKYUZPR-SNVBAGLBSA-N 2 1 210.325 0.432 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253202317 135125060 /nfs/dbraw/zinc/12/50/60/135125060.db2.gz YQXARWAGKVBMHP-GRYCIOLGSA-N 2 1 239.363 0.594 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253202317 135125062 /nfs/dbraw/zinc/12/50/62/135125062.db2.gz YQXARWAGKVBMHP-GRYCIOLGSA-N 2 1 239.363 0.594 20 30 BCEDMP CC[C@@H](C)NC(=[NH2+])NCCn1cc[nH+]c1C ZINC000264130757 135135271 /nfs/dbraw/zinc/13/52/71/135135271.db2.gz XZTZBSFLTZVQTG-SECBINFHSA-N 2 1 223.324 0.894 20 30 BCEDMP CC[N@H+]1CC[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000261534322 135166973 /nfs/dbraw/zinc/16/69/73/135166973.db2.gz MALDPCGPYMGPGY-NXEZZACHSA-N 2 1 210.325 0.266 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC1=[NH+]CCN1C ZINC000261534896 135168464 /nfs/dbraw/zinc/16/84/64/135168464.db2.gz NIDYJKBJAAZZQZ-JTQLQIEISA-N 2 1 210.325 0.362 20 30 BCEDMP CC[N@H+]1CC[C@H](CNC2=[NH+]CCN2C)C1 ZINC000261538286 135175762 /nfs/dbraw/zinc/17/57/62/135175762.db2.gz XQUBUQMIGQJHGW-SNVBAGLBSA-N 2 1 210.325 0.219 20 30 BCEDMP CN1CC[NH+]=C1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000261571723 135213612 /nfs/dbraw/zinc/21/36/12/135213612.db2.gz HTVGFQKWIRHEAT-SNVBAGLBSA-N 2 1 222.336 0.362 20 30 BCEDMP CN(C)C(=[NH+]C[C@H]1CC[N@H+](C2CC2)C1)N(C)C ZINC000261968065 135266935 /nfs/dbraw/zinc/26/69/35/135266935.db2.gz BZXRAJVPKKJRPU-LLVKDONJSA-N 2 1 238.379 0.950 20 30 BCEDMP C[NH+]=C(NC1CC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261994374 135270333 /nfs/dbraw/zinc/27/03/33/135270333.db2.gz SBNJRNOFHSCAGH-JOYOIKCWSA-N 2 1 236.363 0.797 20 30 BCEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000261998724 135271260 /nfs/dbraw/zinc/27/12/60/135271260.db2.gz OOJXCQVUZWTLKF-SNVBAGLBSA-N 2 1 242.392 0.302 20 30 BCEDMP CNC(NC[C@]1([NH+](C)C)CCSC1)=[NH+]C ZINC000262424008 135296019 /nfs/dbraw/zinc/29/60/19/135296019.db2.gz CBIXXKORLNZCPS-SNVBAGLBSA-N 2 1 230.381 0.219 20 30 BCEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)NC1CC1 ZINC000262449926 135300264 /nfs/dbraw/zinc/30/02/64/135300264.db2.gz ZLIUPAKTCZTYRV-UHFFFAOYSA-N 2 1 208.309 0.315 20 30 BCEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)NC1CC1 ZINC000262449926 135300266 /nfs/dbraw/zinc/30/02/66/135300266.db2.gz ZLIUPAKTCZTYRV-UHFFFAOYSA-N 2 1 208.309 0.315 20 30 BCEDMP C[C@@H]1C[NH+]=C(NCC[N@H+]2CCCC[C@H]2C)N1 ZINC000262478437 135302112 /nfs/dbraw/zinc/30/21/12/135302112.db2.gz CNQLPGFVKAGWAJ-GHMZBOCLSA-N 2 1 224.352 0.798 20 30 BCEDMP CCC[N@H+]1CCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262639553 135310227 /nfs/dbraw/zinc/31/02/27/135310227.db2.gz HKUPQSKOSOKYDM-MNOVXSKESA-N 2 1 224.352 0.798 20 30 BCEDMP COCC[N@H+]1CCC[C@@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262681249 135313294 /nfs/dbraw/zinc/31/32/94/135313294.db2.gz WFGYJLFMAUIDOG-WDEREUQCSA-N 2 1 240.351 0.035 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000491674944 398059795 /nfs/dbraw/zinc/05/97/95/398059795.db2.gz STSJQYNQWMGPBW-NWDGAFQWSA-N 2 1 237.347 0.198 20 30 BCEDMP C#CCN(C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000491763374 398065167 /nfs/dbraw/zinc/06/51/67/398065167.db2.gz ACPNFIAMZGFJGA-ZDUSSCGKSA-N 2 1 222.332 0.539 20 30 BCEDMP C=CCC[NH+](C)C[C@H](O)C[N@@H+](C)CC ZINC000653635803 411153897 /nfs/dbraw/zinc/15/38/97/411153897.db2.gz DYFWMNUAJGYYBI-LLVKDONJSA-N 2 1 200.326 0.807 20 30 BCEDMP C=CCC[NH+](C)C[C@H](O)C[N@H+](C)CC ZINC000653635803 411153902 /nfs/dbraw/zinc/15/39/02/411153902.db2.gz DYFWMNUAJGYYBI-LLVKDONJSA-N 2 1 200.326 0.807 20 30 BCEDMP C=CCC[N@@H+](C)C[C@H](O)C[NH+](C)CC ZINC000653635803 411153904 /nfs/dbraw/zinc/15/39/04/411153904.db2.gz DYFWMNUAJGYYBI-LLVKDONJSA-N 2 1 200.326 0.807 20 30 BCEDMP C=CCC[N@H+](C)C[C@H](O)C[NH+](C)CC ZINC000653635803 411153907 /nfs/dbraw/zinc/15/39/07/411153907.db2.gz DYFWMNUAJGYYBI-LLVKDONJSA-N 2 1 200.326 0.807 20 30 BCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404313309 411390922 /nfs/dbraw/zinc/39/09/22/411390922.db2.gz XZQGAAHGXCXFFE-NEPJUHHUSA-N 2 1 239.363 0.738 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404313309 411390926 /nfs/dbraw/zinc/39/09/26/411390926.db2.gz XZQGAAHGXCXFFE-NEPJUHHUSA-N 2 1 239.363 0.738 20 30 BCEDMP C=CC[N@H+](CCN1CC[NH2+]CC1)[C@H](C)COC ZINC000662299835 412086988 /nfs/dbraw/zinc/08/69/88/412086988.db2.gz YFGRQQSSUXNZQQ-CYBMUJFWSA-N 2 1 241.379 0.415 20 30 BCEDMP C[C@H](C[NH2+]CCC#N)CN1CC[NH+](C)CC1 ZINC000568501467 326360050 /nfs/dbraw/zinc/36/00/50/326360050.db2.gz XIWGNKBVJVLINB-GFCCVEGCSA-N 2 1 224.352 0.373 20 30 BCEDMP C[NH+]=C(NCC1=CC[N@@H+](C)CC1)NC1CC1 ZINC000263192245 536304597 /nfs/dbraw/zinc/30/45/97/536304597.db2.gz ZAAUBCDHOSFLJG-UHFFFAOYSA-N 2 1 222.336 0.576 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000066244974 534519356 /nfs/dbraw/zinc/51/93/56/534519356.db2.gz BKDLORPQHWCVHF-SNVBAGLBSA-N 2 1 210.325 0.561 20 30 BCEDMP C#CCC[NH+]1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000493463466 526724362 /nfs/dbraw/zinc/72/43/62/526724362.db2.gz XICLSBNPLONDJF-SREVYHEPSA-N 2 1 249.358 0.272 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC000491668985 526820311 /nfs/dbraw/zinc/82/03/11/526820311.db2.gz UECHDLBNKQHXKV-GFCCVEGCSA-N 2 1 239.363 0.398 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC000491668986 526823617 /nfs/dbraw/zinc/82/36/17/526823617.db2.gz UECHDLBNKQHXKV-LBPRGKRZSA-N 2 1 239.363 0.398 20 30 BCEDMP C#C[C@H](C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000491048523 527330458 /nfs/dbraw/zinc/33/04/58/527330458.db2.gz YIOWGENNGAQYBI-LBPRGKRZSA-N 2 1 237.347 0.104 20 30 BCEDMP C#C[C@H](C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000491048523 527330447 /nfs/dbraw/zinc/33/04/47/527330447.db2.gz YIOWGENNGAQYBI-LBPRGKRZSA-N 2 1 237.347 0.104 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(F)F ZINC000262501243 535597946 /nfs/dbraw/zinc/59/79/46/535597946.db2.gz ZDQVFMLGMIGYJG-QMMMGPOBSA-N 2 1 234.294 0.640 20 30 BCEDMP C[NH+](C)C[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000338995830 535944272 /nfs/dbraw/zinc/94/42/72/535944272.db2.gz IAFCMLXCHCUHKU-LBPRGKRZSA-N 2 1 225.336 0.800 20 30 BCEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000338995830 535944275 /nfs/dbraw/zinc/94/42/75/535944275.db2.gz IAFCMLXCHCUHKU-LBPRGKRZSA-N 2 1 225.336 0.800 20 30 BCEDMP COCC[NH+](C)CC#CC[N@H+](C)CCOC ZINC000341835213 536773266 /nfs/dbraw/zinc/77/32/66/536773266.db2.gz NGWFRCOBJWTSLQ-UHFFFAOYSA-N 2 1 228.336 0.146 20 30 BCEDMP CCCC[N@@H+](C)CCNC(=[NH2+])NC1CC1 ZINC000112495740 588800495 /nfs/dbraw/zinc/80/04/95/588800495.db2.gz ZYCFKEVOCGHOJW-UHFFFAOYSA-N 2 1 212.341 0.785 20 30 BCEDMP C[NH+]=C(NCC[N@H+]1CC=CCC1)NC1CC1 ZINC000849024723 582830169 /nfs/dbraw/zinc/83/01/69/582830169.db2.gz TVROVYZVVJWPLV-UHFFFAOYSA-N 2 1 222.336 0.576 20 30 BCEDMP C[NH+]=C(NCC[N@@H+]1CC=CCC1)NC1CC1 ZINC000849024723 582830172 /nfs/dbraw/zinc/83/01/72/582830172.db2.gz TVROVYZVVJWPLV-UHFFFAOYSA-N 2 1 222.336 0.576 20 30 BCEDMP C[N@H+]1CCC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852862114 583021057 /nfs/dbraw/zinc/02/10/57/583021057.db2.gz TUPXCXIKGZSFEP-ZDUSSCGKSA-N 2 1 249.358 0.200 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000115958383 588938519 /nfs/dbraw/zinc/93/85/19/588938519.db2.gz AESRYGUULMBZGL-LLVKDONJSA-N 2 1 224.352 0.880 20 30 BCEDMP C[N@@H+](C[C@H](O)C[NH3+])CC1CCC(C#N)CC1 ZINC000903454055 584772551 /nfs/dbraw/zinc/77/25/51/584772551.db2.gz STTAMVXYWIVHGF-HTAVTVPLSA-N 2 1 225.336 0.568 20 30 BCEDMP C[C@@H]1CC(N=NC2=N[C@H]3CCCC[C@@H]3N2)C[N@H+]1C ZINC000753937674 585272528 /nfs/dbraw/zinc/27/25/28/585272528.db2.gz YSQVYDXXRHYBOW-USWWRNFRSA-N 2 1 249.362 0.926 20 30 BCEDMP C[C@@H]1CC(N=NC2=N[C@H]3CCCC[C@@H]3N2)CN1C ZINC000753937674 585272529 /nfs/dbraw/zinc/27/25/29/585272529.db2.gz YSQVYDXXRHYBOW-USWWRNFRSA-N 2 1 249.362 0.926 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000764478677 585466310 /nfs/dbraw/zinc/46/63/10/585466310.db2.gz IRFHTVCSRVGFAM-LLVKDONJSA-N 2 1 239.363 0.703 20 30 BCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000805427107 585592251 /nfs/dbraw/zinc/59/22/51/585592251.db2.gz ZOHUZZXBACFCHM-RYUDHWBXSA-N 2 1 237.347 0.150 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000805427107 585592252 /nfs/dbraw/zinc/59/22/52/585592252.db2.gz ZOHUZZXBACFCHM-RYUDHWBXSA-N 2 1 237.347 0.150 20 30 BCEDMP C#CCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000774728411 585664182 /nfs/dbraw/zinc/66/41/82/585664182.db2.gz MKPRNMGYUYSIOT-UHFFFAOYSA-N 2 1 237.391 0.968 20 30 BCEDMP C[C@H]1CNC(NN=C2CC[N@H+]3CCC[C@H]23)=[NH+]1 ZINC000779792204 585763746 /nfs/dbraw/zinc/76/37/46/585763746.db2.gz QAFVCJHFEOQNBY-WCBMZHEXSA-N 2 1 221.308 0.148 20 30 BCEDMP C[C@H]1CNC(NN=C2CC[N@@H+](C)[C@H](C)C2)=[NH+]1 ZINC000779794148 585764365 /nfs/dbraw/zinc/76/43/65/585764365.db2.gz CZKCKTARZOCARL-DTWKUNHWSA-N 2 1 223.324 0.394 20 30 BCEDMP C[C@@H]1CNC(NN=C2CC[N@@H+](C)[C@@H](C)C2)=[NH+]1 ZINC000779794146 585764449 /nfs/dbraw/zinc/76/44/49/585764449.db2.gz CZKCKTARZOCARL-BDAKNGLRSA-N 2 1 223.324 0.394 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000816950399 586773449 /nfs/dbraw/zinc/77/34/49/586773449.db2.gz RHGICVHKELZZJK-NEPJUHHUSA-N 2 1 237.347 0.267 20 30 BCEDMP C#CC[C@@H](CO)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000821207651 587101683 /nfs/dbraw/zinc/10/16/83/587101683.db2.gz WSENTRVICDOZLP-LBPRGKRZSA-N 2 1 233.315 0.621 20 30 BCEDMP C#C[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000847019389 588302050 /nfs/dbraw/zinc/30/20/50/588302050.db2.gz PRQWIKLPXVHIIC-CHWSQXEVSA-N 2 1 224.348 0.644 20 30 BCEDMP C#C[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000847019389 588302051 /nfs/dbraw/zinc/30/20/51/588302051.db2.gz PRQWIKLPXVHIIC-CHWSQXEVSA-N 2 1 224.348 0.644 20 30 BCEDMP C#C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000847019389 588302052 /nfs/dbraw/zinc/30/20/52/588302052.db2.gz PRQWIKLPXVHIIC-CHWSQXEVSA-N 2 1 224.348 0.644 20 30 BCEDMP C#C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000847019389 588302053 /nfs/dbraw/zinc/30/20/53/588302053.db2.gz PRQWIKLPXVHIIC-CHWSQXEVSA-N 2 1 224.348 0.644 20 30 BCEDMP C[C@H]1CNC(NN=C2CCC[N@H+]3CCCC[C@H]23)=[NH+]1 ZINC000848408201 588379047 /nfs/dbraw/zinc/37/90/47/588379047.db2.gz GUUOYFFOXCAZJO-CMPLNLGQSA-N 2 1 249.362 0.928 20 30 BCEDMP C[NH+]=C(NCCC[NH+]1CCOCC1)NC1CC1 ZINC000848980423 588423195 /nfs/dbraw/zinc/42/31/95/588423195.db2.gz KKZPWTBWMACRAR-UHFFFAOYSA-N 2 1 240.351 0.036 20 30 BCEDMP CCCC[N@@H+](C)CCNC1=[NH+]C[C@@H](C)N1 ZINC000849005376 588432175 /nfs/dbraw/zinc/43/21/75/588432175.db2.gz AZSUKRCXJSATCU-SNVBAGLBSA-N 2 1 212.341 0.656 20 30 BCEDMP C=C(C)CNC(=[NH2+])NCC[NH+]1CCC(O)CC1 ZINC000849038450 588446491 /nfs/dbraw/zinc/44/64/91/588446491.db2.gz OFIUYSQLUHRSPI-UHFFFAOYSA-N 2 1 240.351 0.133 20 30 BCEDMP C[NH+]=C(NCC1([NH+](C)C)CC1)NC1CC1 ZINC000849043832 588449222 /nfs/dbraw/zinc/44/92/22/588449222.db2.gz WJVLVWUGXHSQFC-UHFFFAOYSA-N 2 1 210.325 0.408 20 30 BCEDMP C#CCOCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000851781873 588627792 /nfs/dbraw/zinc/62/77/92/588627792.db2.gz HIEZDZWGOZJXHA-ZDUSSCGKSA-N 2 1 224.348 0.910 20 30 BCEDMP C#CCOCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000851781873 588627793 /nfs/dbraw/zinc/62/77/93/588627793.db2.gz HIEZDZWGOZJXHA-ZDUSSCGKSA-N 2 1 224.348 0.910 20 30 BCEDMP C#CCOCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000851781873 588627794 /nfs/dbraw/zinc/62/77/94/588627794.db2.gz HIEZDZWGOZJXHA-ZDUSSCGKSA-N 2 1 224.348 0.910 20 30 BCEDMP C#CCOCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000851801482 588630812 /nfs/dbraw/zinc/63/08/12/588630812.db2.gz KUSXPISAEUNQQB-ZDUSSCGKSA-N 2 1 224.348 0.910 20 30 BCEDMP C#CCOCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000851801482 588630813 /nfs/dbraw/zinc/63/08/13/588630813.db2.gz KUSXPISAEUNQQB-ZDUSSCGKSA-N 2 1 224.348 0.910 20 30 BCEDMP C#CCOCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000851801482 588630814 /nfs/dbraw/zinc/63/08/14/588630814.db2.gz KUSXPISAEUNQQB-ZDUSSCGKSA-N 2 1 224.348 0.910 20 30 BCEDMP C#CCOCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000851801482 588630815 /nfs/dbraw/zinc/63/08/15/588630815.db2.gz KUSXPISAEUNQQB-ZDUSSCGKSA-N 2 1 224.348 0.910 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863557133 589298893 /nfs/dbraw/zinc/29/88/93/589298893.db2.gz JQKRYSZEHZHPGC-ZDUSSCGKSA-N 2 1 249.358 0.586 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863557133 589298895 /nfs/dbraw/zinc/29/88/95/589298895.db2.gz JQKRYSZEHZHPGC-ZDUSSCGKSA-N 2 1 249.358 0.586 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864465765 589371111 /nfs/dbraw/zinc/37/11/11/589371111.db2.gz BUPUEVYVXJFCID-MNOVXSKESA-N 2 1 222.336 0.464 20 30 BCEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000876748814 590236942 /nfs/dbraw/zinc/23/69/42/590236942.db2.gz HUALSJMUZMNSBF-SNVBAGLBSA-N 2 1 247.770 0.913 20 30 BCEDMP C=CC[C@@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878802569 590625162 /nfs/dbraw/zinc/62/51/62/590625162.db2.gz KCSKOPPOUSRNRV-GFCCVEGCSA-N 2 1 239.363 0.657 20 30 BCEDMP C=CC[C@@H](C)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878802569 590625163 /nfs/dbraw/zinc/62/51/63/590625163.db2.gz KCSKOPPOUSRNRV-GFCCVEGCSA-N 2 1 239.363 0.657 20 30 BCEDMP C#CC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879123346 590698887 /nfs/dbraw/zinc/69/88/87/590698887.db2.gz DYNFVBKCBNFWEE-UHFFFAOYSA-N 2 1 224.348 0.910 20 30 BCEDMP COCC#CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880137767 590939559 /nfs/dbraw/zinc/93/95/59/590939559.db2.gz KNBMGMOWSNAQMX-OLZOCXBDSA-N 2 1 222.332 0.805 20 30 BCEDMP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@@H+](CC)C1 ZINC000104172356 592603340 /nfs/dbraw/zinc/60/33/40/592603340.db2.gz FGERWWSBPMLTBC-LLVKDONJSA-N 2 1 226.368 0.985 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](COC)C1CC1 ZINC000327999773 633213067 /nfs/dbraw/zinc/21/30/67/633213067.db2.gz NOLZTRNSXBQRME-CYBMUJFWSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](COC)C1CC1 ZINC000327999773 633213070 /nfs/dbraw/zinc/21/30/70/633213070.db2.gz NOLZTRNSXBQRME-CYBMUJFWSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928561990 636109013 /nfs/dbraw/zinc/10/90/13/636109013.db2.gz BSXJGODEBXWBPD-ZDUSSCGKSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001019771472 633789014 /nfs/dbraw/zinc/78/90/14/633789014.db2.gz OZVKKBSHMTWXQF-NEPJUHHUSA-N 2 1 237.347 0.315 20 30 BCEDMP CCC[N@H+]1CC[C@H](CNC(NC)=[NH+]C)C1 ZINC000303258223 636305318 /nfs/dbraw/zinc/30/53/18/636305318.db2.gz KNRVZCJYLXMQKB-SNVBAGLBSA-N 2 1 212.341 0.513 20 30 BCEDMP C#CC[NH2+]CC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000911761335 639802579 /nfs/dbraw/zinc/80/25/79/639802579.db2.gz PAPAACDZRFUDNZ-UHFFFAOYSA-N 2 1 247.298 0.185 20 30 BCEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])N(C)C)C1 ZINC000170913351 640937985 /nfs/dbraw/zinc/93/79/85/640937985.db2.gz PGGQFRUUUDSFAA-JTQLQIEISA-N 2 1 212.341 0.595 20 30 BCEDMP C=CCC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263040 641868469 /nfs/dbraw/zinc/86/84/69/641868469.db2.gz CSCXBDPVYKGVMH-UHFFFAOYSA-N 2 1 249.358 0.459 20 30 BCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031385097 642050055 /nfs/dbraw/zinc/05/00/55/642050055.db2.gz ULIFQTFJZGQKSY-LLVKDONJSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031385097 642050057 /nfs/dbraw/zinc/05/00/57/642050057.db2.gz ULIFQTFJZGQKSY-LLVKDONJSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031577701 642331619 /nfs/dbraw/zinc/33/16/19/642331619.db2.gz OJFZFUBJRCTVHH-LBPRGKRZSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002153 642949666 /nfs/dbraw/zinc/94/96/66/642949666.db2.gz PUTQYOIVICXTQC-GFCCVEGCSA-N 2 1 249.358 0.459 20 30 BCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016248625 642950930 /nfs/dbraw/zinc/95/09/30/642950930.db2.gz CGUAALGCDRLMSR-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016248625 642950942 /nfs/dbraw/zinc/95/09/42/642950942.db2.gz CGUAALGCDRLMSR-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016251551 642954447 /nfs/dbraw/zinc/95/44/47/642954447.db2.gz VSQCMSQMPHZFKE-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016251551 642954454 /nfs/dbraw/zinc/95/44/54/642954454.db2.gz VSQCMSQMPHZFKE-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001020301345 643066258 /nfs/dbraw/zinc/06/62/58/643066258.db2.gz YLZVOZKSKGDYEJ-JHJVBQTASA-N 2 1 249.358 0.341 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001020397138 643082522 /nfs/dbraw/zinc/08/25/22/643082522.db2.gz SVUQMMUOVYRYMC-HAQNSBGRSA-N 2 1 246.314 0.062 20 30 BCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186539 643282800 /nfs/dbraw/zinc/28/28/00/643282800.db2.gz QNMCTJNXCGVRLQ-CYBMUJFWSA-N 2 1 249.358 0.009 20 30 BCEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186539 643282804 /nfs/dbraw/zinc/28/28/04/643282804.db2.gz QNMCTJNXCGVRLQ-CYBMUJFWSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001020925152 643338206 /nfs/dbraw/zinc/33/82/06/643338206.db2.gz IEQXNUZUTPUAOX-AVGNSLFASA-N 2 1 249.358 0.198 20 30 BCEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997296743 643608413 /nfs/dbraw/zinc/60/84/13/643608413.db2.gz BRGQFGYIQUWKEX-LBPRGKRZSA-N 2 1 249.358 0.152 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000922156160 643874858 /nfs/dbraw/zinc/87/48/58/643874858.db2.gz LCNONTCGELYSQT-LBPRGKRZSA-N 2 1 239.363 0.705 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000922157117 643876545 /nfs/dbraw/zinc/87/65/45/643876545.db2.gz BBLCSGTVSYPXQP-LLVKDONJSA-N 2 1 225.336 0.315 20 30 BCEDMP C[NH+]=C(NCC1CC1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000080520517 644273603 /nfs/dbraw/zinc/27/36/03/644273603.db2.gz IFFROZMGVMQVCN-NSHDSACASA-N 2 1 224.352 0.513 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923358652 644367878 /nfs/dbraw/zinc/36/78/78/644367878.db2.gz JKNZSSGQBGKFEB-RWMBFGLXSA-N 2 1 224.348 0.997 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923411753 644413504 /nfs/dbraw/zinc/41/35/04/644413504.db2.gz RKAGFGQXRHSQMV-WOPDTQHZSA-N 2 1 212.337 0.840 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478508 644456560 /nfs/dbraw/zinc/45/65/60/644456560.db2.gz DAPUJSKDIBTKQF-RYUDHWBXSA-N 2 1 212.337 0.984 20 30 BCEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000958378895 644792707 /nfs/dbraw/zinc/79/27/07/644792707.db2.gz RKHKSSNRAKQYSD-QNWHQSFQSA-N 2 1 249.358 0.313 20 30 BCEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958378895 644792712 /nfs/dbraw/zinc/79/27/12/644792712.db2.gz RKHKSSNRAKQYSD-QNWHQSFQSA-N 2 1 249.358 0.313 20 30 BCEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958378895 644792716 /nfs/dbraw/zinc/79/27/16/644792716.db2.gz RKHKSSNRAKQYSD-QNWHQSFQSA-N 2 1 249.358 0.313 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000303696816 644838842 /nfs/dbraw/zinc/83/88/42/644838842.db2.gz FHUHUKPALRQZFN-WDEREUQCSA-N 2 1 242.367 0.410 20 30 BCEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000303895824 644855805 /nfs/dbraw/zinc/85/58/05/644855805.db2.gz PQOYWGYTOPFMML-NEPJUHHUSA-N 2 1 238.379 0.985 20 30 BCEDMP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000303901190 644856167 /nfs/dbraw/zinc/85/61/67/644856167.db2.gz SNPQVHOCWYVUCE-SNVBAGLBSA-N 2 1 212.341 0.595 20 30 BCEDMP CC[N@@H+](CCNC(=[NH2+])N[C@H](C)COC)C1CC1 ZINC000303969843 644860515 /nfs/dbraw/zinc/86/05/15/644860515.db2.gz CFVDGCZXZSGUNW-SNVBAGLBSA-N 2 1 242.367 0.410 20 30 BCEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])N1CCOCC1 ZINC000303977068 644861317 /nfs/dbraw/zinc/86/13/17/644861317.db2.gz KVFUTAVFRHPZNY-NSHDSACASA-N 2 1 242.367 0.364 20 30 BCEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N[C@H](C)COC ZINC000303969060 644861349 /nfs/dbraw/zinc/86/13/49/644861349.db2.gz BJHRUBWNUBRXFE-GHMZBOCLSA-N 2 1 244.383 0.656 20 30 BCEDMP C#C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000300965216 645898999 /nfs/dbraw/zinc/89/89/99/645898999.db2.gz RLLAFSBMYCQMAF-STQMWFEESA-N 2 1 224.348 0.691 20 30 BCEDMP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)CC#N)CC[C@H]21 ZINC000929848450 646357430 /nfs/dbraw/zinc/35/74/30/646357430.db2.gz SHRFBXNAHNRAQN-YNEHKIRRSA-N 2 1 237.347 0.677 20 30 BCEDMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)CC#N)CC[C@H]21 ZINC000929848450 646357440 /nfs/dbraw/zinc/35/74/40/646357440.db2.gz SHRFBXNAHNRAQN-YNEHKIRRSA-N 2 1 237.347 0.677 20 30 BCEDMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)CC#N)CC[C@H]21 ZINC000929848450 646357444 /nfs/dbraw/zinc/35/74/44/646357444.db2.gz SHRFBXNAHNRAQN-YNEHKIRRSA-N 2 1 237.347 0.677 20 30 BCEDMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)CC#N)CC[C@H]21 ZINC000929848450 646357450 /nfs/dbraw/zinc/35/74/50/646357450.db2.gz SHRFBXNAHNRAQN-YNEHKIRRSA-N 2 1 237.347 0.677 20 30 BCEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925630907 646370187 /nfs/dbraw/zinc/37/01/87/646370187.db2.gz SJCBXCJIDLYNMT-WDEREUQCSA-N 2 1 212.337 0.901 20 30 BCEDMP C=C(C)C[C@H](CO)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925772079 646473543 /nfs/dbraw/zinc/47/35/43/646473543.db2.gz PYQBGENJUODRJO-GMDXDWKASA-N 2 1 236.359 0.900 20 30 BCEDMP C#CC[C@H](COC)[NH2+]C1CC[NH+](C)CC1 ZINC000716930061 712596656 /nfs/dbraw/zinc/59/66/56/712596656.db2.gz XGQJJFPWLMGFDZ-GFCCVEGCSA-N 2 1 210.321 0.709 20 30 BCEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000717840517 712691348 /nfs/dbraw/zinc/69/13/48/712691348.db2.gz IALSKDMUIUYDHR-XQQFMLRXSA-N 2 1 222.332 0.587 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCOC ZINC000392899526 711153227 /nfs/dbraw/zinc/15/32/27/711153227.db2.gz OZYNHMYAKBUXFD-GFCCVEGCSA-N 2 1 212.337 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCOC ZINC000392899526 711153230 /nfs/dbraw/zinc/15/32/30/711153230.db2.gz OZYNHMYAKBUXFD-GFCCVEGCSA-N 2 1 212.337 0.956 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033661915 712011992 /nfs/dbraw/zinc/01/19/92/712011992.db2.gz NKEALMLVNZETBP-STQMWFEESA-N 2 1 249.358 0.104 20 30 BCEDMP C#CC1(O)CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000708099962 712181193 /nfs/dbraw/zinc/18/11/93/712181193.db2.gz AKQOHBDPOJTJCB-CYBMUJFWSA-N 2 1 236.359 0.931 20 30 BCEDMP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000717824349 712681740 /nfs/dbraw/zinc/68/17/40/712681740.db2.gz XGQVYMLHCMSEKJ-FRRDWIJNSA-N 2 1 224.348 0.833 20 30 BCEDMP CC#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000717824349 712681741 /nfs/dbraw/zinc/68/17/41/712681741.db2.gz XGQVYMLHCMSEKJ-FRRDWIJNSA-N 2 1 224.348 0.833 20 30 BCEDMP N#Cc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000335537858 398205760 /nfs/dbraw/zinc/20/57/60/398205760.db2.gz FVBRYVAEVUQOIK-ITGUQSILSA-N 2 1 213.284 0.866 20 30 BCEDMP C=CCNC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000264095975 136281330 /nfs/dbraw/zinc/28/13/30/136281330.db2.gz MQHHHMQWDNEVRI-LLVKDONJSA-N 2 1 224.352 0.809 20 30 BCEDMP C=CCCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000379989610 365786167 /nfs/dbraw/zinc/78/61/67/365786167.db2.gz WWDRCMJXXXGLGV-GFCCVEGCSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000379989610 365786171 /nfs/dbraw/zinc/78/61/71/365786171.db2.gz WWDRCMJXXXGLGV-GFCCVEGCSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1=O ZINC000570683890 323067038 /nfs/dbraw/zinc/06/70/38/323067038.db2.gz IKQVUMFYFOJHNX-SRVKXCTJSA-N 2 1 237.347 0.442 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1=O ZINC000570683890 323067039 /nfs/dbraw/zinc/06/70/39/323067039.db2.gz IKQVUMFYFOJHNX-SRVKXCTJSA-N 2 1 237.347 0.442 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1=O ZINC000570683893 323067144 /nfs/dbraw/zinc/06/71/44/323067144.db2.gz IKQVUMFYFOJHNX-WOPDTQHZSA-N 2 1 237.347 0.442 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1=O ZINC000570683893 323067145 /nfs/dbraw/zinc/06/71/45/323067145.db2.gz IKQVUMFYFOJHNX-WOPDTQHZSA-N 2 1 237.347 0.442 20 30 BCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802698 362762469 /nfs/dbraw/zinc/76/24/69/362762469.db2.gz ARFJACLYLVOCAW-IVZWLZJFSA-N 2 1 225.336 0.393 20 30 BCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000641801415 362754924 /nfs/dbraw/zinc/75/49/24/362754924.db2.gz QMSBNEAJTDGYGC-DCAQKATOSA-N 2 1 237.347 0.489 20 30 BCEDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309553802 347099423 /nfs/dbraw/zinc/09/94/23/347099423.db2.gz JBFHXLYYSRFDEK-TUAOUCFPSA-N 2 1 223.320 0.335 20 30 BCEDMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309553802 347099427 /nfs/dbraw/zinc/09/94/27/347099427.db2.gz JBFHXLYYSRFDEK-TUAOUCFPSA-N 2 1 223.320 0.335 20 30 BCEDMP C=C[C@@H](CO)NCc1ncc(C[NH+](C)C)s1 ZINC000309678736 347134374 /nfs/dbraw/zinc/13/43/74/347134374.db2.gz YUPJBZGKHCMHDJ-VIFPVBQESA-N 2 1 241.360 0.841 20 30 BCEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC#N ZINC000597943351 348846754 /nfs/dbraw/zinc/84/67/54/348846754.db2.gz YYHHZRFTBAZEBE-NSHDSACASA-N 2 1 240.351 0.288 20 30 BCEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC#N ZINC000597943351 348846757 /nfs/dbraw/zinc/84/67/57/348846757.db2.gz YYHHZRFTBAZEBE-NSHDSACASA-N 2 1 240.351 0.288 20 30 BCEDMP CC(C)C[N@H+]1CC[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262679376 535127355 /nfs/dbraw/zinc/12/73/55/535127355.db2.gz VLFMTWFCIQXAJU-NEPJUHHUSA-N 2 1 238.379 0.902 20 30 BCEDMP CCCCNC(=[NH2+])NCC1=CC[N@@H+](C)CC1 ZINC000271824762 351439281 /nfs/dbraw/zinc/43/92/81/351439281.db2.gz PQXLFOJRUZZDBA-UHFFFAOYSA-N 2 1 224.352 0.953 20 30 BCEDMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336769778 353297643 /nfs/dbraw/zinc/29/76/43/353297643.db2.gz VCGRKZVUDLZMHP-HBNTYKKESA-N 2 1 211.309 0.191 20 30 BCEDMP C=CC[C@H](CO)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000349826822 355486071 /nfs/dbraw/zinc/48/60/71/355486071.db2.gz ASPYGIQILYCSAJ-CYBMUJFWSA-N 2 1 242.363 0.624 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367117784 355956975 /nfs/dbraw/zinc/95/69/75/355956975.db2.gz SWCZMQSYNVBYOY-AWEZNQCLSA-N 2 1 235.375 0.579 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000420321468 192227517 /nfs/dbraw/zinc/22/75/17/192227517.db2.gz VHEGFPOMABMFNK-XQQFMLRXSA-N 2 1 249.358 0.315 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000420321468 192227519 /nfs/dbraw/zinc/22/75/19/192227519.db2.gz VHEGFPOMABMFNK-XQQFMLRXSA-N 2 1 249.358 0.315 20 30 BCEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000104172212 134159312 /nfs/dbraw/zinc/15/93/12/134159312.db2.gz UIJMQIMGPRTZGZ-LLVKDONJSA-N 2 1 224.352 0.643 20 30 BCEDMP C=CC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371769 358439023 /nfs/dbraw/zinc/43/90/23/358439023.db2.gz NIYZBZSRANLQGL-ZDUSSCGKSA-N 2 1 223.364 0.884 20 30 BCEDMP CC#CCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131296888 358668210 /nfs/dbraw/zinc/66/82/10/358668210.db2.gz IVZGHRBRFWIULV-ZDUSSCGKSA-N 2 1 249.358 0.424 20 30 BCEDMP CC#CC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000131296888 358668213 /nfs/dbraw/zinc/66/82/13/358668213.db2.gz IVZGHRBRFWIULV-ZDUSSCGKSA-N 2 1 249.358 0.424 20 30 BCEDMP C#CCNC(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000083100554 359785657 /nfs/dbraw/zinc/78/56/57/359785657.db2.gz XSSGFBQEYWUSJA-JTQLQIEISA-N 2 1 220.320 0.021 20 30 BCEDMP C#CCNC(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000083100554 359785661 /nfs/dbraw/zinc/78/56/61/359785661.db2.gz XSSGFBQEYWUSJA-JTQLQIEISA-N 2 1 220.320 0.021 20 30 BCEDMP C=CCC[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000134919659 364418115 /nfs/dbraw/zinc/41/81/15/364418115.db2.gz MSYBUCUGMLHUSQ-WDEREUQCSA-N 2 1 200.326 0.853 20 30 BCEDMP C#CCNC(NC[C@H]1CCC[N@H+]1CC)=[NH+]CC ZINC000073675574 368813429 /nfs/dbraw/zinc/81/34/29/368813429.db2.gz WCTNVJHFZVUZSC-GFCCVEGCSA-N 2 1 236.363 0.659 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784136 370535589 /nfs/dbraw/zinc/53/55/89/370535589.db2.gz KKMYEOCYDNLIRU-OBJOEFQTSA-N 2 1 249.358 0.587 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784136 370535590 /nfs/dbraw/zinc/53/55/90/370535590.db2.gz KKMYEOCYDNLIRU-OBJOEFQTSA-N 2 1 249.358 0.587 20 30 BCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COC)CC1 ZINC000644549038 384949327 /nfs/dbraw/zinc/94/93/27/384949327.db2.gz FMSQTRCOEBPLSG-LBPRGKRZSA-N 2 1 228.336 0.234 20 30 BCEDMP C#CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000491497718 385045523 /nfs/dbraw/zinc/04/55/23/385045523.db2.gz ZNWYBTKCSSUEKI-UHFFFAOYSA-N 2 1 211.353 0.435 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1CC ZINC000171801561 385518738 /nfs/dbraw/zinc/51/87/38/385518738.db2.gz TWAGQSRTCUPUGE-NSHDSACASA-N 2 1 224.352 0.951 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166223868 386764409 /nfs/dbraw/zinc/76/44/09/386764409.db2.gz IKNWPIRIOVCHPZ-OUAUKWLOSA-N 2 1 225.336 0.346 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166223868 386764412 /nfs/dbraw/zinc/76/44/12/386764412.db2.gz IKNWPIRIOVCHPZ-OUAUKWLOSA-N 2 1 225.336 0.346 20 30 BCEDMP C#CC[N@H+](C)CCCNC(NCC)=[NH+]CC ZINC000395549425 387016860 /nfs/dbraw/zinc/01/68/60/387016860.db2.gz BMBANHQLYKCXCC-UHFFFAOYSA-N 2 1 224.352 0.517 20 30 BCEDMP C#CC[NH+](C)CCCNC(=O)C[N@H+](C)CCC ZINC000491350988 388287621 /nfs/dbraw/zinc/28/76/21/388287621.db2.gz RCKDAADCHWZPBE-UHFFFAOYSA-N 2 1 239.363 0.400 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+](C)CCC ZINC000491350988 388287623 /nfs/dbraw/zinc/28/76/23/388287623.db2.gz RCKDAADCHWZPBE-UHFFFAOYSA-N 2 1 239.363 0.400 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=O)C[NH+](C)CCC ZINC000491350988 388287624 /nfs/dbraw/zinc/28/76/24/388287624.db2.gz RCKDAADCHWZPBE-UHFFFAOYSA-N 2 1 239.363 0.400 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NCC(=C)C ZINC000491454444 388295768 /nfs/dbraw/zinc/29/57/68/388295768.db2.gz YWVNISYPHKSTLJ-UHFFFAOYSA-N 2 1 222.336 0.632 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1cnccn1 ZINC000491555038 388303558 /nfs/dbraw/zinc/30/35/58/388303558.db2.gz OEQWIQFWVCZXHX-CYBMUJFWSA-N 2 1 246.358 0.952 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1cnccn1 ZINC000491555038 388303559 /nfs/dbraw/zinc/30/35/59/388303559.db2.gz OEQWIQFWVCZXHX-CYBMUJFWSA-N 2 1 246.358 0.952 20 30 BCEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491676601 388310189 /nfs/dbraw/zinc/31/01/89/388310189.db2.gz OTIXKDOHEAQWCW-LBPRGKRZSA-N 2 1 249.358 0.200 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N[C@@H](C)COC ZINC000491776690 388319938 /nfs/dbraw/zinc/31/99/38/388319938.db2.gz FAIVIZTYRDVBPV-NSHDSACASA-N 2 1 240.351 0.090 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N[C@H](C)COC ZINC000491776687 388320017 /nfs/dbraw/zinc/32/00/17/388320017.db2.gz FAIVIZTYRDVBPV-LLVKDONJSA-N 2 1 240.351 0.090 20 30 BCEDMP C#C[C@H](C)[NH+](C)CC#CC[N@H+](C)[C@@H](C)C#C ZINC000491121368 388270991 /nfs/dbraw/zinc/27/09/91/388270991.db2.gz QKKSHFFTNDXOSP-KBPBESRZSA-N 2 1 216.328 0.897 20 30 BCEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCC#N ZINC000136310990 388530356 /nfs/dbraw/zinc/53/03/56/388530356.db2.gz PITUCENDMWIIBO-UHFFFAOYSA-N 2 1 249.318 0.153 20 30 BCEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCC#N ZINC000136310990 388530357 /nfs/dbraw/zinc/53/03/57/388530357.db2.gz PITUCENDMWIIBO-UHFFFAOYSA-N 2 1 249.318 0.153 20 30 BCEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]c(N(C)C)n1 ZINC000328296530 388593750 /nfs/dbraw/zinc/59/37/50/388593750.db2.gz SXXMDIIIBISSOU-UHFFFAOYSA-N 2 1 247.346 0.910 20 30 BCEDMP C#CC[N@H+](C)CCCNc1cc[nH+]c(N(C)C)n1 ZINC000328296530 388593753 /nfs/dbraw/zinc/59/37/53/388593753.db2.gz SXXMDIIIBISSOU-UHFFFAOYSA-N 2 1 247.346 0.910 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246223571 388624764 /nfs/dbraw/zinc/62/47/64/388624764.db2.gz DQSFSSMYKKWQIA-SDDRHHMPSA-N 2 1 239.363 0.607 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000246223571 388624765 /nfs/dbraw/zinc/62/47/65/388624765.db2.gz DQSFSSMYKKWQIA-SDDRHHMPSA-N 2 1 239.363 0.607 20 30 BCEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000104172216 134159124 /nfs/dbraw/zinc/15/91/24/134159124.db2.gz UIJMQIMGPRTZGZ-NSHDSACASA-N 2 1 224.352 0.643 20 30 BCEDMP CN(C)C(=[NH+]C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000104172210 134159228 /nfs/dbraw/zinc/15/92/28/134159228.db2.gz QEEISLAIWXTDDW-JTQLQIEISA-N 2 1 212.341 0.417 20 30 BCEDMP C[NH+](C)[C@@]1(CNC(=[NH2+])NC2CC2)CCSC1 ZINC000262498085 135119056 /nfs/dbraw/zinc/11/90/56/135119056.db2.gz XFZRVHNGLWHFNE-LLVKDONJSA-N 2 1 242.392 0.490 20 30 BCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NCC1CC1 ZINC000262819705 135122748 /nfs/dbraw/zinc/12/27/48/135122748.db2.gz PLDLTDFFNLYABL-UHFFFAOYSA-N 2 1 235.335 0.767 20 30 BCEDMP CC[C@H](C)NC(=[NH2+])NCCn1cc[nH+]c1C ZINC000264130760 135135229 /nfs/dbraw/zinc/13/52/29/135135229.db2.gz XZTZBSFLTZVQTG-VIFPVBQESA-N 2 1 223.324 0.894 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000264323739 135138362 /nfs/dbraw/zinc/13/83/62/135138362.db2.gz YDRIOENITKTIBG-SECBINFHSA-N 2 1 210.325 0.559 20 30 BCEDMP C[C@@H](CNC1=[NH+]C[C@@H](C)N1)[N@@H+](C)C1CC1 ZINC000261538354 135175845 /nfs/dbraw/zinc/17/58/45/135175845.db2.gz XVBYDHJRKHJZES-BDAKNGLRSA-N 2 1 210.325 0.406 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122353056 135227288 /nfs/dbraw/zinc/22/72/88/135227288.db2.gz VFVASVZQLOTKPM-GARJFASQSA-N 2 1 225.336 0.346 20 30 BCEDMP C=CCNC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262466579 135300732 /nfs/dbraw/zinc/30/07/32/135300732.db2.gz YDGGQIWWDGUZJX-SECBINFHSA-N 2 1 219.292 0.288 20 30 BCEDMP CN1CC[NH+]=C1NC[C@]1([NH+](C)C)CCSC1 ZINC000262477865 135301926 /nfs/dbraw/zinc/30/19/26/135301926.db2.gz CLZZCVLBSCMRIS-LLVKDONJSA-N 2 1 242.392 0.315 20 30 BCEDMP [NH2+]=C(NCC[NH+]1CCC1)NC1CCCCC1 ZINC000262811382 135318795 /nfs/dbraw/zinc/31/87/95/135318795.db2.gz VGKUYQGKBAXOSG-UHFFFAOYSA-N 2 1 224.352 0.929 20 30 BCEDMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000263097657 135332430 /nfs/dbraw/zinc/33/24/30/135332430.db2.gz JNYNGRHNLYGUDO-NSHDSACASA-N 2 1 224.352 0.881 20 30 BCEDMP CC#CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334367673 135374658 /nfs/dbraw/zinc/37/46/58/135374658.db2.gz RJLZCODQLNMFPT-CABCVRRESA-N 2 1 249.402 0.968 20 30 BCEDMP C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000491671003 398058460 /nfs/dbraw/zinc/05/84/60/398058460.db2.gz WBOSCDDDURRINQ-YNEHKIRRSA-N 2 1 222.332 0.709 20 30 BCEDMP C#C[C@@H]1COCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000491670999 398058552 /nfs/dbraw/zinc/05/85/52/398058552.db2.gz WBOSCDDDURRINQ-RWMBFGLXSA-N 2 1 222.332 0.709 20 30 BCEDMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152514 411132448 /nfs/dbraw/zinc/13/24/48/411132448.db2.gz YLWXJOCGDPGKJJ-ZDUSSCGKSA-N 2 1 248.330 0.932 20 30 BCEDMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152514 411132449 /nfs/dbraw/zinc/13/24/49/411132449.db2.gz YLWXJOCGDPGKJJ-ZDUSSCGKSA-N 2 1 248.330 0.932 20 30 BCEDMP C=C[C@H](CO)[NH2+]CCCn1cc[nH+]c1C ZINC000662168685 411372450 /nfs/dbraw/zinc/37/24/50/411372450.db2.gz QOZRHWXQZMYKIE-LLVKDONJSA-N 2 1 209.293 0.718 20 30 BCEDMP C=C(CC)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000313495678 323091951 /nfs/dbraw/zinc/09/19/51/323091951.db2.gz YCDPNAFJXHGCCK-LBPRGKRZSA-N 2 1 212.337 0.997 20 30 BCEDMP C=C(CC)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000313495678 323091952 /nfs/dbraw/zinc/09/19/52/323091952.db2.gz YCDPNAFJXHGCCK-LBPRGKRZSA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000320666476 323182960 /nfs/dbraw/zinc/18/29/60/323182960.db2.gz RMUSPVJGTJZYOA-DGCLKSJQSA-N 2 1 242.363 0.358 20 30 BCEDMP C=CCC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000320666476 323182961 /nfs/dbraw/zinc/18/29/61/323182961.db2.gz RMUSPVJGTJZYOA-DGCLKSJQSA-N 2 1 242.363 0.358 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000133314528 325285806 /nfs/dbraw/zinc/28/58/06/325285806.db2.gz XCNAHPIUUBAOJX-NEPJUHHUSA-N 2 1 239.363 0.609 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000133314528 325285804 /nfs/dbraw/zinc/28/58/04/325285804.db2.gz XCNAHPIUUBAOJX-NEPJUHHUSA-N 2 1 239.363 0.609 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000133314738 325285864 /nfs/dbraw/zinc/28/58/64/325285864.db2.gz XCNAHPIUUBAOJX-VXGBXAGGSA-N 2 1 239.363 0.609 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000133314738 325285865 /nfs/dbraw/zinc/28/58/65/325285865.db2.gz XCNAHPIUUBAOJX-VXGBXAGGSA-N 2 1 239.363 0.609 20 30 BCEDMP CCC[N@H+]1CC[C@H](CNC2=[NH+]CCN2C)C1 ZINC000262679066 534949195 /nfs/dbraw/zinc/94/91/95/534949195.db2.gz VHLDOZLDOAWPHF-LLVKDONJSA-N 2 1 224.352 0.609 20 30 BCEDMP CC[NH+]=C(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)N(C)C ZINC000261958604 535265024 /nfs/dbraw/zinc/26/50/24/535265024.db2.gz JNGOAQBPUWECGC-CMPLNLGQSA-N 2 1 238.379 0.996 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCF ZINC000262787082 535549628 /nfs/dbraw/zinc/54/96/28/535549628.db2.gz JVMKGDHGOAOEDV-SECBINFHSA-N 2 1 216.304 0.345 20 30 BCEDMP C=CCNC(=[NH2+])NCC[N@H+](C)CCCC ZINC000112495737 588800540 /nfs/dbraw/zinc/80/05/40/588800540.db2.gz JUABVVUAAHKLBD-UHFFFAOYSA-N 2 1 212.341 0.809 20 30 BCEDMP CN(C)c1ccc(C=NNC2=NCCN2)cc1 ZINC000012340204 582603688 /nfs/dbraw/zinc/60/36/88/582603688.db2.gz MNYUDAUUKWWBLP-UHFFFAOYSA-N 2 1 231.303 0.635 20 30 BCEDMP C#C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000300965213 582621292 /nfs/dbraw/zinc/62/12/92/582621292.db2.gz RLLAFSBMYCQMAF-QWHCGFSZSA-N 2 1 224.348 0.691 20 30 BCEDMP C#C[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878516166 583378341 /nfs/dbraw/zinc/37/83/41/583378341.db2.gz AAVWCOQLUVYHHG-LLVKDONJSA-N 2 1 237.347 0.150 20 30 BCEDMP C#C[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878516166 583378343 /nfs/dbraw/zinc/37/83/43/583378343.db2.gz AAVWCOQLUVYHHG-LLVKDONJSA-N 2 1 237.347 0.150 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000894863794 583536098 /nfs/dbraw/zinc/53/60/98/583536098.db2.gz TVNLTNRBDWRTFJ-LBPRGKRZSA-N 2 1 237.347 0.200 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000894863794 583536100 /nfs/dbraw/zinc/53/61/00/583536100.db2.gz TVNLTNRBDWRTFJ-LBPRGKRZSA-N 2 1 237.347 0.200 20 30 BCEDMP CNC(NC[C@@H]1CC[N@H+]1C1CCOCC1)=[NH+]C ZINC000899262374 584190444 /nfs/dbraw/zinc/19/04/44/584190444.db2.gz JXEBVJNXAIOCFT-NSHDSACASA-N 2 1 240.351 0.035 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899272716 584192002 /nfs/dbraw/zinc/19/20/02/584192002.db2.gz NPAITVSQBYDULU-LLVKDONJSA-N 2 1 236.363 0.854 20 30 BCEDMP N#CC1CCC(C[N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000903449907 584772365 /nfs/dbraw/zinc/77/23/65/584772365.db2.gz XFZSOGUZGFODDR-WXRRBKDZSA-N 2 1 237.347 0.976 20 30 BCEDMP N#CC1CCC(C[N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC000903449907 584772366 /nfs/dbraw/zinc/77/23/66/584772366.db2.gz XFZSOGUZGFODDR-WXRRBKDZSA-N 2 1 237.347 0.976 20 30 BCEDMP C[N@@H+](C[C@@H](O)C[NH3+])CC1CCC(C#N)CC1 ZINC000903454056 584772846 /nfs/dbraw/zinc/77/28/46/584772846.db2.gz STTAMVXYWIVHGF-MCIGGMRASA-N 2 1 225.336 0.568 20 30 BCEDMP C[C@]1(C#N)CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903767128 584798076 /nfs/dbraw/zinc/79/80/76/584798076.db2.gz UOOBWJCZDZNXBR-MJBXVCDLSA-N 2 1 249.358 0.991 20 30 BCEDMP C[C@]1(C#N)CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903767128 584798077 /nfs/dbraw/zinc/79/80/77/584798077.db2.gz UOOBWJCZDZNXBR-MJBXVCDLSA-N 2 1 249.358 0.991 20 30 BCEDMP C#C[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCO1 ZINC000838936764 585081713 /nfs/dbraw/zinc/08/17/13/585081713.db2.gz OBQXLFSTAIAZRY-CHWSQXEVSA-N 2 1 233.315 0.733 20 30 BCEDMP C[C@@H]1C[N@H+](C)CC1=NNCC[NH+]1CCCCC1 ZINC000752163897 585243367 /nfs/dbraw/zinc/24/33/67/585243367.db2.gz FURCFGFXYOQFGP-GFCCVEGCSA-N 2 1 238.379 0.999 20 30 BCEDMP C[C@@H]1C[N@@H+](C)CC1=NNCC[NH+]1CCCCC1 ZINC000752163897 585243368 /nfs/dbraw/zinc/24/33/68/585243368.db2.gz FURCFGFXYOQFGP-GFCCVEGCSA-N 2 1 238.379 0.999 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000764478678 585466249 /nfs/dbraw/zinc/46/62/49/585466249.db2.gz IRFHTVCSRVGFAM-NSHDSACASA-N 2 1 239.363 0.703 20 30 BCEDMP C#CCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000767449100 585520581 /nfs/dbraw/zinc/52/05/81/585520581.db2.gz IDVKKHMDSYRESJ-UHFFFAOYSA-N 2 1 248.330 0.263 20 30 BCEDMP C#CCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000767449100 585520582 /nfs/dbraw/zinc/52/05/82/585520582.db2.gz IDVKKHMDSYRESJ-UHFFFAOYSA-N 2 1 248.330 0.263 20 30 BCEDMP C#C[C@H]([NH2+]CCn1cc[nH+]c1C)[C@H]1CCCO1 ZINC000775789921 585684736 /nfs/dbraw/zinc/68/47/36/585684736.db2.gz FEUCRPMKTKNIOZ-QWHCGFSZSA-N 2 1 233.315 0.962 20 30 BCEDMP C#CCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778951017 585742710 /nfs/dbraw/zinc/74/27/10/585742710.db2.gz PWEDGNMRDJYZEH-UHFFFAOYSA-N 2 1 223.364 0.579 20 30 BCEDMP C[C@@H]1CNC(NN=C2C[N@@H+](C3CC3)C[C@H]2C)=[NH+]1 ZINC000779786488 585763296 /nfs/dbraw/zinc/76/32/96/585763296.db2.gz RFOOVOGDFKWONB-RKDXNWHRSA-N 2 1 235.335 0.394 20 30 BCEDMP C[C@@H]1CNC(NN=C2C[N@H+](C3CC3)C[C@H]2C)=[NH+]1 ZINC000779786488 585763297 /nfs/dbraw/zinc/76/32/97/585763297.db2.gz RFOOVOGDFKWONB-RKDXNWHRSA-N 2 1 235.335 0.394 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000817676014 586817777 /nfs/dbraw/zinc/81/77/77/586817777.db2.gz BKWRHMQGANECCK-LBPRGKRZSA-N 2 1 239.363 0.657 20 30 BCEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000836849775 587839811 /nfs/dbraw/zinc/83/98/11/587839811.db2.gz SLZMKEGIQZTFEV-NWDGAFQWSA-N 2 1 237.347 0.267 20 30 BCEDMP C#C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000847026379 588304099 /nfs/dbraw/zinc/30/40/99/588304099.db2.gz YILKWOOKJCVHJQ-KGLIPLIRSA-N 2 1 236.359 0.788 20 30 BCEDMP C#C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000847026379 588304100 /nfs/dbraw/zinc/30/41/00/588304100.db2.gz YILKWOOKJCVHJQ-KGLIPLIRSA-N 2 1 236.359 0.788 20 30 BCEDMP C#C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000847026381 588304127 /nfs/dbraw/zinc/30/41/27/588304127.db2.gz YILKWOOKJCVHJQ-ZIAGYGMSSA-N 2 1 236.359 0.788 20 30 BCEDMP C#C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000847026381 588304128 /nfs/dbraw/zinc/30/41/28/588304128.db2.gz YILKWOOKJCVHJQ-ZIAGYGMSSA-N 2 1 236.359 0.788 20 30 BCEDMP C[C@@H]1CNC(NN=C2CCC[N@H+]3CCCC[C@@H]23)=[NH+]1 ZINC000848408210 588379235 /nfs/dbraw/zinc/37/92/35/588379235.db2.gz GUUOYFFOXCAZJO-PWSUYJOCSA-N 2 1 249.362 0.928 20 30 BCEDMP CN(C)C(=[NH+]CCC[NH+]1CCOCC1)N(C)C ZINC000848980527 588423294 /nfs/dbraw/zinc/42/32/94/588423294.db2.gz XYPGKYXTLSEWOE-UHFFFAOYSA-N 2 1 242.367 0.188 20 30 BCEDMP COCC[N@@H+](C)CCCNC1=[NH+]CCCN1C ZINC000848993307 588427802 /nfs/dbraw/zinc/42/78/02/588427802.db2.gz XXGVIHSBFUJCGC-UHFFFAOYSA-N 2 1 242.367 0.236 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])NCCC1CC1 ZINC000864466927 589371194 /nfs/dbraw/zinc/37/11/94/589371194.db2.gz NYARBUIGGGELHP-UHFFFAOYSA-N 2 1 236.363 0.856 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872209186 589893377 /nfs/dbraw/zinc/89/33/77/589893377.db2.gz MQCXXDDZAIZAMT-LBPRGKRZSA-N 2 1 242.363 0.053 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872209186 589893380 /nfs/dbraw/zinc/89/33/80/589893380.db2.gz MQCXXDDZAIZAMT-LBPRGKRZSA-N 2 1 242.363 0.053 20 30 BCEDMP C=CC[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878462242 590572001 /nfs/dbraw/zinc/57/20/01/590572001.db2.gz SLKGRLTUNKAHGK-UHFFFAOYSA-N 2 1 225.336 0.315 20 30 BCEDMP C=CC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878462242 590572002 /nfs/dbraw/zinc/57/20/02/590572002.db2.gz SLKGRLTUNKAHGK-UHFFFAOYSA-N 2 1 225.336 0.315 20 30 BCEDMP C#CCCC[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000878867043 590634656 /nfs/dbraw/zinc/63/46/56/590634656.db2.gz ZJOFIIDKINPASS-CYBMUJFWSA-N 2 1 224.348 0.788 20 30 BCEDMP C#CCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878867043 590634657 /nfs/dbraw/zinc/63/46/57/590634657.db2.gz ZJOFIIDKINPASS-CYBMUJFWSA-N 2 1 224.348 0.788 20 30 BCEDMP C#CCNC(=O)CC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579262 590816100 /nfs/dbraw/zinc/81/61/00/590816100.db2.gz KQCWDFOPOLPOLB-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579262 590816092 /nfs/dbraw/zinc/81/60/92/590816092.db2.gz KQCWDFOPOLPOLB-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579262 590816095 /nfs/dbraw/zinc/81/60/95/590816095.db2.gz KQCWDFOPOLPOLB-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579262 590816097 /nfs/dbraw/zinc/81/60/97/590816097.db2.gz KQCWDFOPOLPOLB-STQMWFEESA-N 2 1 249.358 0.152 20 30 BCEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579653 590816346 /nfs/dbraw/zinc/81/63/46/590816346.db2.gz AQDFOZQPDJPRNG-JHJVBQTASA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579653 590816349 /nfs/dbraw/zinc/81/63/49/590816349.db2.gz AQDFOZQPDJPRNG-JHJVBQTASA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579653 590816352 /nfs/dbraw/zinc/81/63/52/590816352.db2.gz AQDFOZQPDJPRNG-JHJVBQTASA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579653 590816354 /nfs/dbraw/zinc/81/63/54/590816354.db2.gz AQDFOZQPDJPRNG-JHJVBQTASA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579654 590816828 /nfs/dbraw/zinc/81/68/28/590816828.db2.gz AQDFOZQPDJPRNG-UPJWGTAASA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579654 590816830 /nfs/dbraw/zinc/81/68/30/590816830.db2.gz AQDFOZQPDJPRNG-UPJWGTAASA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579654 590816834 /nfs/dbraw/zinc/81/68/34/590816834.db2.gz AQDFOZQPDJPRNG-UPJWGTAASA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579654 590816838 /nfs/dbraw/zinc/81/68/38/590816838.db2.gz AQDFOZQPDJPRNG-UPJWGTAASA-N 2 1 237.347 0.941 20 30 BCEDMP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579260 590818858 /nfs/dbraw/zinc/81/88/58/590818858.db2.gz KQCWDFOPOLPOLB-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579260 590818861 /nfs/dbraw/zinc/81/88/61/590818861.db2.gz KQCWDFOPOLPOLB-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579260 590818864 /nfs/dbraw/zinc/81/88/64/590818864.db2.gz KQCWDFOPOLPOLB-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579260 590818866 /nfs/dbraw/zinc/81/88/66/590818866.db2.gz KQCWDFOPOLPOLB-QWHCGFSZSA-N 2 1 249.358 0.152 20 30 BCEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579651 590819052 /nfs/dbraw/zinc/81/90/52/590819052.db2.gz AQDFOZQPDJPRNG-AGIUHOORSA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579651 590819054 /nfs/dbraw/zinc/81/90/54/590819054.db2.gz AQDFOZQPDJPRNG-AGIUHOORSA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579651 590819057 /nfs/dbraw/zinc/81/90/57/590819057.db2.gz AQDFOZQPDJPRNG-AGIUHOORSA-N 2 1 237.347 0.941 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579651 590819058 /nfs/dbraw/zinc/81/90/58/590819058.db2.gz AQDFOZQPDJPRNG-AGIUHOORSA-N 2 1 237.347 0.941 20 30 BCEDMP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+](C)CC1 ZINC000883389686 591631617 /nfs/dbraw/zinc/63/16/17/591631617.db2.gz WMSIIMPBCRJKPV-GFCCVEGCSA-N 2 1 212.337 0.997 20 30 BCEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])N(C)C)C1 ZINC000134119812 591888672 /nfs/dbraw/zinc/88/86/72/591888672.db2.gz QEEAWBFMDMTKCC-LLVKDONJSA-N 2 1 226.368 0.841 20 30 BCEDMP C#CC[C@@H]1CC[N@H+](C[C@@H](O)CN(C)CC)C1 ZINC000886365672 592219333 /nfs/dbraw/zinc/21/93/33/592219333.db2.gz NLERMPOECYEUIK-OLZOCXBDSA-N 2 1 224.348 0.644 20 30 BCEDMP C#CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000886365672 592219336 /nfs/dbraw/zinc/21/93/36/592219336.db2.gz NLERMPOECYEUIK-OLZOCXBDSA-N 2 1 224.348 0.644 20 30 BCEDMP C#CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000886365672 592219337 /nfs/dbraw/zinc/21/93/37/592219337.db2.gz NLERMPOECYEUIK-OLZOCXBDSA-N 2 1 224.348 0.644 20 30 BCEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@@H+](CC)C1 ZINC000104172361 592603410 /nfs/dbraw/zinc/60/34/10/592603410.db2.gz FGERWWSBPMLTBC-NSHDSACASA-N 2 1 226.368 0.985 20 30 BCEDMP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@@H+](C)C1CC1 ZINC000104192935 592604843 /nfs/dbraw/zinc/60/48/43/592604843.db2.gz SOYAKQDPLFKRLH-SNVBAGLBSA-N 2 1 240.351 0.116 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001022710932 631804924 /nfs/dbraw/zinc/80/49/24/631804924.db2.gz PQBJXZFCUSSRID-RWMBFGLXSA-N 2 1 249.358 0.341 20 30 BCEDMP CNC(NCC[C@@H]1CCC[N@@H+](C)C1)=[NH+]C ZINC000849041151 632035091 /nfs/dbraw/zinc/03/50/91/632035091.db2.gz LVGWPDRKNMELSO-JTQLQIEISA-N 2 1 212.341 0.513 20 30 BCEDMP C#CCCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309097624 632638289 /nfs/dbraw/zinc/63/82/89/632638289.db2.gz HLXZRUNZWHNXAY-LBPRGKRZSA-N 2 1 210.321 0.445 20 30 BCEDMP C#CCCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309097624 632638292 /nfs/dbraw/zinc/63/82/92/632638292.db2.gz HLXZRUNZWHNXAY-LBPRGKRZSA-N 2 1 210.321 0.445 20 30 BCEDMP C[C@H](C#N)OCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000310470333 632746981 /nfs/dbraw/zinc/74/69/81/632746981.db2.gz BFESOJXLANHNJE-OLZOCXBDSA-N 2 1 237.347 0.943 20 30 BCEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000310470333 632746986 /nfs/dbraw/zinc/74/69/86/632746986.db2.gz BFESOJXLANHNJE-OLZOCXBDSA-N 2 1 237.347 0.943 20 30 BCEDMP C[C@H](C#N)OCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000310470333 632746990 /nfs/dbraw/zinc/74/69/90/632746990.db2.gz BFESOJXLANHNJE-OLZOCXBDSA-N 2 1 237.347 0.943 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000310470333 632746993 /nfs/dbraw/zinc/74/69/93/632746993.db2.gz BFESOJXLANHNJE-OLZOCXBDSA-N 2 1 237.347 0.943 20 30 BCEDMP C#CCCCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309468301 633109774 /nfs/dbraw/zinc/10/97/74/633109774.db2.gz TYHHWBRHNXTQJV-ZDUSSCGKSA-N 2 1 224.348 0.835 20 30 BCEDMP C#CCCCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000309468301 633109779 /nfs/dbraw/zinc/10/97/79/633109779.db2.gz TYHHWBRHNXTQJV-ZDUSSCGKSA-N 2 1 224.348 0.835 20 30 BCEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N(C)C)C1 ZINC000170910529 633177353 /nfs/dbraw/zinc/17/73/53/633177353.db2.gz RWVONTPADVYYRL-SNVBAGLBSA-N 2 1 212.341 0.595 20 30 BCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980407154 635219500 /nfs/dbraw/zinc/21/95/00/635219500.db2.gz WEWBSBTZMYRJGD-CYBMUJFWSA-N 2 1 249.358 0.248 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000931279882 640135603 /nfs/dbraw/zinc/13/56/03/640135603.db2.gz RTIWTCWPNYOPTK-WUHRBBMRSA-N 2 1 224.348 0.805 20 30 BCEDMP C=CCC[C@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279882 640135607 /nfs/dbraw/zinc/13/56/07/640135607.db2.gz RTIWTCWPNYOPTK-WUHRBBMRSA-N 2 1 224.348 0.805 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279882 640135614 /nfs/dbraw/zinc/13/56/14/640135614.db2.gz RTIWTCWPNYOPTK-WUHRBBMRSA-N 2 1 224.348 0.805 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279882 640135623 /nfs/dbraw/zinc/13/56/23/640135623.db2.gz RTIWTCWPNYOPTK-WUHRBBMRSA-N 2 1 224.348 0.805 20 30 BCEDMP C#CCNC(=O)CC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933733176 640756414 /nfs/dbraw/zinc/75/64/14/640756414.db2.gz FYDQMCKWMBPFQC-OCCSQVGLSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CCNC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933733176 640756416 /nfs/dbraw/zinc/75/64/16/640756416.db2.gz FYDQMCKWMBPFQC-OCCSQVGLSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CCNC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933733176 640756423 /nfs/dbraw/zinc/75/64/23/640756423.db2.gz FYDQMCKWMBPFQC-OCCSQVGLSA-N 2 1 249.358 0.009 20 30 BCEDMP C[C@@H](CNC(=[NH2+])N(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000170913295 640938523 /nfs/dbraw/zinc/93/85/23/640938523.db2.gz VOOLKOGVMWIIME-QWRGUYRKSA-N 2 1 226.368 0.983 20 30 BCEDMP C=CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000934463068 641155277 /nfs/dbraw/zinc/15/52/77/641155277.db2.gz FKKJHUMBAQCPBG-NEPJUHHUSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CC[C@@H]1CC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000934463068 641155287 /nfs/dbraw/zinc/15/52/87/641155287.db2.gz FKKJHUMBAQCPBG-NEPJUHHUSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000934463068 641155294 /nfs/dbraw/zinc/15/52/94/641155294.db2.gz FKKJHUMBAQCPBG-NEPJUHHUSA-N 2 1 212.337 0.949 20 30 BCEDMP C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000934463068 641155299 /nfs/dbraw/zinc/15/52/99/641155299.db2.gz FKKJHUMBAQCPBG-NEPJUHHUSA-N 2 1 212.337 0.949 20 30 BCEDMP C#CCC1([NH2+]C[C@@H](O)C[N@H+](C)CC)CCC1 ZINC000933296946 642506170 /nfs/dbraw/zinc/50/61/70/642506170.db2.gz SOEGUJPQLLUWEJ-GFCCVEGCSA-N 2 1 224.348 0.835 20 30 BCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681088 642570478 /nfs/dbraw/zinc/57/04/78/642570478.db2.gz DCQZNLFTVMKABT-DGCLKSJQSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681088 642570481 /nfs/dbraw/zinc/57/04/81/642570481.db2.gz DCQZNLFTVMKABT-DGCLKSJQSA-N 2 1 249.358 0.008 20 30 BCEDMP CNC(NC[C@H]1CC[N@@H+](CC(C)C)C1)=[NH+]C ZINC000305045908 642635209 /nfs/dbraw/zinc/63/52/09/642635209.db2.gz XXKIQPMHUDBZMH-LLVKDONJSA-N 2 1 226.368 0.759 20 30 BCEDMP CN(C(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000305832367 642704453 /nfs/dbraw/zinc/70/44/53/642704453.db2.gz VAVLNHAXJHSANK-SNVBAGLBSA-N 2 1 224.352 0.737 20 30 BCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010381847 642863864 /nfs/dbraw/zinc/86/38/64/642863864.db2.gz DFDURQWITNOMDZ-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010381847 642863868 /nfs/dbraw/zinc/86/38/68/642863868.db2.gz DFDURQWITNOMDZ-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010381847 642863871 /nfs/dbraw/zinc/86/38/71/642863871.db2.gz DFDURQWITNOMDZ-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015701899 642926861 /nfs/dbraw/zinc/92/68/61/642926861.db2.gz KGFSMZZRZNPAEY-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001015701899 642926864 /nfs/dbraw/zinc/92/68/64/642926864.db2.gz KGFSMZZRZNPAEY-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015701899 642926871 /nfs/dbraw/zinc/92/68/71/642926871.db2.gz KGFSMZZRZNPAEY-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001015701899 642926878 /nfs/dbraw/zinc/92/68/78/642926878.db2.gz KGFSMZZRZNPAEY-STQMWFEESA-N 2 1 249.358 0.294 20 30 BCEDMP C=CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016002154 642949640 /nfs/dbraw/zinc/94/96/40/642949640.db2.gz PUTQYOIVICXTQC-LBPRGKRZSA-N 2 1 249.358 0.459 20 30 BCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001018629019 643003102 /nfs/dbraw/zinc/00/31/02/643003102.db2.gz XLYFVHINFPCGFV-NWDGAFQWSA-N 2 1 237.347 0.457 20 30 BCEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001020588453 643220953 /nfs/dbraw/zinc/22/09/53/643220953.db2.gz BDUVJMJHQDGDBY-JHJVBQTASA-N 2 1 249.358 0.198 20 30 BCEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000970721312 643516297 /nfs/dbraw/zinc/51/62/97/643516297.db2.gz IXBZYZZUZKXVBQ-GFCCVEGCSA-N 2 1 248.330 0.568 20 30 BCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998725255 643719618 /nfs/dbraw/zinc/71/96/18/643719618.db2.gz VTFDYXBLEPSQER-CHWSQXEVSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001000921154 643799484 /nfs/dbraw/zinc/79/94/84/643799484.db2.gz XHLHZDFVVFZLTN-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923332313 644355246 /nfs/dbraw/zinc/35/52/46/644355246.db2.gz KXVDLGHCKBKGAY-ZDEQEGDKSA-N 2 1 224.348 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331772 644361244 /nfs/dbraw/zinc/36/12/44/644361244.db2.gz ICOQCNZZCFCRBG-STQMWFEESA-N 2 1 224.348 0.999 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923358649 644367033 /nfs/dbraw/zinc/36/70/33/644367033.db2.gz JKNZSSGQBGKFEB-AGIUHOORSA-N 2 1 224.348 0.997 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923357807 644367802 /nfs/dbraw/zinc/36/78/02/644367802.db2.gz RWQNVSOPSOMMLS-VXGBXAGGSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@@H](O)C[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000923357807 644367808 /nfs/dbraw/zinc/36/78/08/644367808.db2.gz RWQNVSOPSOMMLS-VXGBXAGGSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000923355539 644373205 /nfs/dbraw/zinc/37/32/05/644373205.db2.gz NJGDIQXRUZEMFH-NEPJUHHUSA-N 2 1 212.337 0.984 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000923410807 644410424 /nfs/dbraw/zinc/41/04/24/644410424.db2.gz JQXNOEZHVCPBAP-YNEHKIRRSA-N 2 1 242.363 0.752 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000923410807 644410426 /nfs/dbraw/zinc/41/04/26/644410426.db2.gz JQXNOEZHVCPBAP-YNEHKIRRSA-N 2 1 242.363 0.752 20 30 BCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000923560292 644500527 /nfs/dbraw/zinc/50/05/27/644500527.db2.gz RWXBESPLCNOCJF-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000923560292 644500536 /nfs/dbraw/zinc/50/05/36/644500536.db2.gz RWXBESPLCNOCJF-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000923560292 644500540 /nfs/dbraw/zinc/50/05/40/644500540.db2.gz RWXBESPLCNOCJF-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000923560292 644500546 /nfs/dbraw/zinc/50/05/46/644500546.db2.gz RWXBESPLCNOCJF-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000923560293 644502216 /nfs/dbraw/zinc/50/22/16/644502216.db2.gz RWXBESPLCNOCJF-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000923560293 644502220 /nfs/dbraw/zinc/50/22/20/644502220.db2.gz RWXBESPLCNOCJF-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000923560293 644502224 /nfs/dbraw/zinc/50/22/24/644502224.db2.gz RWXBESPLCNOCJF-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000923560293 644502227 /nfs/dbraw/zinc/50/22/27/644502227.db2.gz RWXBESPLCNOCJF-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP CC(C)[N@H+]1CC(=NNC2=[NH+][C@H](C)CN2)[C@@H](C)C1 ZINC000779797736 644715565 /nfs/dbraw/zinc/71/55/65/644715565.db2.gz IQZVYJQCSPGTTE-VHSXEESVSA-N 2 1 237.351 0.640 20 30 BCEDMP CC(C)[N@@H+]1CC(=NNC2=[NH+][C@H](C)CN2)[C@@H](C)C1 ZINC000779797736 644715571 /nfs/dbraw/zinc/71/55/71/644715571.db2.gz IQZVYJQCSPGTTE-VHSXEESVSA-N 2 1 237.351 0.640 20 30 BCEDMP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)C1 ZINC000303890796 644854918 /nfs/dbraw/zinc/85/49/18/644854918.db2.gz MQWKIUKWJWSVRB-LLVKDONJSA-N 2 1 226.368 0.889 20 30 BCEDMP CC[N@@H+](CCNC(=[NH2+])N1CCOCC1)C(C)C ZINC000303980249 644861866 /nfs/dbraw/zinc/86/18/66/644861866.db2.gz NYWKABPRBOWYAF-UHFFFAOYSA-N 2 1 242.367 0.364 20 30 BCEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000928653201 645852058 /nfs/dbraw/zinc/85/20/58/645852058.db2.gz CZWMPNRBKMQEFI-LBPRGKRZSA-N 2 1 249.358 0.152 20 30 BCEDMP C#C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000300965211 645899254 /nfs/dbraw/zinc/89/92/54/645899254.db2.gz RLLAFSBMYCQMAF-OLZOCXBDSA-N 2 1 224.348 0.691 20 30 BCEDMP C#CC1(O)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000708099965 712181057 /nfs/dbraw/zinc/18/10/57/712181057.db2.gz AKQOHBDPOJTJCB-ZDUSSCGKSA-N 2 1 236.359 0.931 20 30 BCEDMP C[C@@H](C#N)OCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379905793 712623968 /nfs/dbraw/zinc/62/39/68/712623968.db2.gz IBKBQFVXUOMOCL-GARJFASQSA-N 2 1 209.293 0.066 20 30 BCEDMP C[C@@H](C#N)OCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379905793 712623969 /nfs/dbraw/zinc/62/39/69/712623969.db2.gz IBKBQFVXUOMOCL-GARJFASQSA-N 2 1 209.293 0.066 20 30 BCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039016735 710717351 /nfs/dbraw/zinc/71/73/51/710717351.db2.gz KNQJCGVHFXUUHO-NEPJUHHUSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039016735 710717354 /nfs/dbraw/zinc/71/73/54/710717354.db2.gz KNQJCGVHFXUUHO-NEPJUHHUSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039016735 710717356 /nfs/dbraw/zinc/71/73/56/710717356.db2.gz KNQJCGVHFXUUHO-NEPJUHHUSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039016735 710717357 /nfs/dbraw/zinc/71/73/57/710717357.db2.gz KNQJCGVHFXUUHO-NEPJUHHUSA-N 2 1 237.347 0.315 20 30 BCEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039027154 710718139 /nfs/dbraw/zinc/71/81/39/710718139.db2.gz JDAKWVLZPMYRPT-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039027154 710718146 /nfs/dbraw/zinc/71/81/46/710718146.db2.gz JDAKWVLZPMYRPT-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039027154 710718150 /nfs/dbraw/zinc/71/81/50/710718150.db2.gz JDAKWVLZPMYRPT-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039027154 710718153 /nfs/dbraw/zinc/71/81/53/710718153.db2.gz JDAKWVLZPMYRPT-CHWSQXEVSA-N 2 1 249.358 0.152 20 30 BCEDMP CCNC(NCC[N@H+](C)C1CC1)=[NH+]CC ZINC000395640781 711214595 /nfs/dbraw/zinc/21/45/95/711214595.db2.gz UBLOYJQELJLGMR-UHFFFAOYSA-N 2 1 212.341 0.656 20 30 BCEDMP CCNC(NCC[N@@H+](C)C1CC1)=[NH+]CC ZINC000395640781 711214597 /nfs/dbraw/zinc/21/45/97/711214597.db2.gz UBLOYJQELJLGMR-UHFFFAOYSA-N 2 1 212.341 0.656 20 30 BCEDMP C#C[C@](C)(CC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000384227109 710836460 /nfs/dbraw/zinc/83/64/60/710836460.db2.gz VRVIWPGYGAQIPN-QWHCGFSZSA-N 2 1 224.348 0.835 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723712144 711535691 /nfs/dbraw/zinc/53/56/91/711535691.db2.gz NCIFSAPQVMSETE-WDEREUQCSA-N 2 1 225.336 0.348 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]CCCc1cnn(C)c1 ZINC000314384258 711738455 /nfs/dbraw/zinc/73/84/55/711738455.db2.gz RTFBVQFZLOREMF-UHFFFAOYSA-N 2 1 248.374 0.897 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]CCCc1cnn(C)c1 ZINC000314384258 711738457 /nfs/dbraw/zinc/73/84/57/711738457.db2.gz RTFBVQFZLOREMF-UHFFFAOYSA-N 2 1 248.374 0.897 20 30 BCEDMP CC#CC[C@H](CO)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000717727683 712667604 /nfs/dbraw/zinc/66/76/04/712667604.db2.gz IXGIKUQQCYOKNI-CYBMUJFWSA-N 2 1 236.359 0.977 20 30 BCEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000717795721 712677999 /nfs/dbraw/zinc/67/79/99/712677999.db2.gz UUALOVDAGIRADL-GRYCIOLGSA-N 2 1 210.321 0.443 20 30 BCEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000717795721 712678001 /nfs/dbraw/zinc/67/80/01/712678001.db2.gz UUALOVDAGIRADL-GRYCIOLGSA-N 2 1 210.321 0.443 20 30 BCEDMP C=C[C@H](CO)[NH2+]C1CC[NH+](CCC)CC1 ZINC000308968685 136217191 /nfs/dbraw/zinc/21/71/91/136217191.db2.gz XPOOEPXRFXIGKU-LLVKDONJSA-N 2 1 212.337 0.997 20 30 BCEDMP C[C@@H](CNC1=[NH+]CCN1C)[N@H+]1CCC[C@@H](C)C1 ZINC000262669765 136374710 /nfs/dbraw/zinc/37/47/10/136374710.db2.gz QMOLGNMNJQKYHQ-NEPJUHHUSA-N 2 1 238.379 0.998 20 30 BCEDMP C[C@@H](CNC1=[NH+]CCN1C)[N@H+]1CCC[C@H](C)C1 ZINC000262669767 136374795 /nfs/dbraw/zinc/37/47/95/136374795.db2.gz QMOLGNMNJQKYHQ-RYUDHWBXSA-N 2 1 238.379 0.998 20 30 BCEDMP N#CCC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000600735162 344365033 /nfs/dbraw/zinc/36/50/33/344365033.db2.gz KEVMNJVCJUGMID-LBPRGKRZSA-N 2 1 237.347 0.727 20 30 BCEDMP N#CCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000600737305 344365628 /nfs/dbraw/zinc/36/56/28/344365628.db2.gz VSSHVZOHHZLGIL-LLVKDONJSA-N 2 1 211.309 0.336 20 30 BCEDMP N#CCC1(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000085283366 344516694 /nfs/dbraw/zinc/51/66/94/344516694.db2.gz IEYCBAYHKXMBLB-GHMZBOCLSA-N 2 1 205.305 0.831 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476271 345349755 /nfs/dbraw/zinc/34/97/55/345349755.db2.gz XSKLPUUQZRCLDO-QJPTWQEYSA-N 2 1 237.347 0.348 20 30 BCEDMP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000592047393 347724108 /nfs/dbraw/zinc/72/41/08/347724108.db2.gz KZASWERCKAZXNC-QWRGUYRKSA-N 2 1 238.335 0.218 20 30 BCEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000594437753 348053506 /nfs/dbraw/zinc/05/35/06/348053506.db2.gz FFBCEHMAWRRDEP-MRVPVSSYSA-N 2 1 248.277 0.108 20 30 BCEDMP C[C@]1(C#N)CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000595904981 348396104 /nfs/dbraw/zinc/39/61/04/348396104.db2.gz NLWVMYLXCYYZKJ-VXGBXAGGSA-N 2 1 235.331 0.743 20 30 BCEDMP Cc1[nH+]ccn1CCCCNC1=[NH+]CCN1C ZINC000285187176 352028076 /nfs/dbraw/zinc/02/80/76/352028076.db2.gz VBWRRTYFYSYZJF-UHFFFAOYSA-N 2 1 235.335 0.863 20 30 BCEDMP C#CC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367117785 355957209 /nfs/dbraw/zinc/95/72/09/355957209.db2.gz SWCZMQSYNVBYOY-CQSZACIVSA-N 2 1 235.375 0.579 20 30 BCEDMP CCC[N@@H+](CC)CCNC1=[NH+]C[C@@H](C)N1 ZINC000261534079 535297967 /nfs/dbraw/zinc/29/79/67/535297967.db2.gz LSLMRYRRTCUIFF-SNVBAGLBSA-N 2 1 212.341 0.656 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000420309969 192211544 /nfs/dbraw/zinc/21/15/44/192211544.db2.gz PFGZGZHMRMANRS-CYDGBPFRSA-N 2 1 249.358 0.442 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000420321465 192228509 /nfs/dbraw/zinc/22/85/09/192228509.db2.gz VHEGFPOMABMFNK-AGIUHOORSA-N 2 1 249.358 0.315 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000420321465 192228511 /nfs/dbraw/zinc/22/85/11/192228511.db2.gz VHEGFPOMABMFNK-AGIUHOORSA-N 2 1 249.358 0.315 20 30 BCEDMP CN(C)C(=[NH2+])NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000134507907 358793763 /nfs/dbraw/zinc/79/37/63/358793763.db2.gz AOZJBOFKZXGGLJ-MNOVXSKESA-N 2 1 240.351 0.116 20 30 BCEDMP CN(C)C(=[NH2+])NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000134507907 358793766 /nfs/dbraw/zinc/79/37/66/358793766.db2.gz AOZJBOFKZXGGLJ-MNOVXSKESA-N 2 1 240.351 0.116 20 30 BCEDMP CC#CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177384789 206006974 /nfs/dbraw/zinc/00/69/74/206006974.db2.gz ZXCNHKRCHSTAJR-UHFFFAOYSA-N 2 1 237.391 0.968 20 30 BCEDMP C#CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000262270310 532989132 /nfs/dbraw/zinc/98/91/32/532989132.db2.gz KIVFNYWAOJMASK-JTQLQIEISA-N 2 1 208.309 0.008 20 30 BCEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405410254 384295095 /nfs/dbraw/zinc/29/50/95/384295095.db2.gz TXYHGTYMHAAFFY-RKDXNWHRSA-N 2 1 211.309 0.004 20 30 BCEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CC)CC1 ZINC000644549044 384952335 /nfs/dbraw/zinc/95/23/35/384952335.db2.gz HKKUXLCIRUWBQZ-GFCCVEGCSA-N 2 1 212.337 0.997 20 30 BCEDMP C#CC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370649 533113018 /nfs/dbraw/zinc/11/30/18/533113018.db2.gz RSVYJHUQEFOYIQ-AWEZNQCLSA-N 2 1 235.375 0.720 20 30 BCEDMP C#CC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370649 533113022 /nfs/dbraw/zinc/11/30/22/533113022.db2.gz RSVYJHUQEFOYIQ-AWEZNQCLSA-N 2 1 235.375 0.720 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000491633449 385264456 /nfs/dbraw/zinc/26/44/56/385264456.db2.gz QDHJSHZHJSHCLT-STQMWFEESA-N 2 1 249.358 0.342 20 30 BCEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000491633449 385264461 /nfs/dbraw/zinc/26/44/61/385264461.db2.gz QDHJSHZHJSHCLT-STQMWFEESA-N 2 1 249.358 0.342 20 30 BCEDMP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](C)CC1 ZINC000308910601 385284509 /nfs/dbraw/zinc/28/45/09/385284509.db2.gz DPWUBBICKMYCKZ-LLVKDONJSA-N 2 1 212.337 0.855 20 30 BCEDMP C#CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370653 533112179 /nfs/dbraw/zinc/11/21/79/533112179.db2.gz RSVYJHUQEFOYIQ-CQSZACIVSA-N 2 1 235.375 0.720 20 30 BCEDMP C#CC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370653 533112185 /nfs/dbraw/zinc/11/21/85/533112185.db2.gz RSVYJHUQEFOYIQ-CQSZACIVSA-N 2 1 235.375 0.720 20 30 BCEDMP C#CCNC(=O)CCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000491657005 385376434 /nfs/dbraw/zinc/37/64/34/385376434.db2.gz FPEDLLSVFCEBSN-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CCNC(=O)CCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000491657005 385376438 /nfs/dbraw/zinc/37/64/38/385376438.db2.gz FPEDLLSVFCEBSN-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000647836853 385882490 /nfs/dbraw/zinc/88/24/90/385882490.db2.gz DNKIDXZPRRHPTM-RYUDHWBXSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000647836853 385882495 /nfs/dbraw/zinc/88/24/95/385882495.db2.gz DNKIDXZPRRHPTM-RYUDHWBXSA-N 2 1 237.347 0.315 20 30 BCEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414978572 386034443 /nfs/dbraw/zinc/03/44/43/386034443.db2.gz RYJZWIBROMKPMC-VXGBXAGGSA-N 2 1 211.353 0.834 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000166223989 386765193 /nfs/dbraw/zinc/76/51/93/386765193.db2.gz IKNWPIRIOVCHPZ-DCAQKATOSA-N 2 1 225.336 0.346 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000166223989 386765198 /nfs/dbraw/zinc/76/51/98/386765198.db2.gz IKNWPIRIOVCHPZ-DCAQKATOSA-N 2 1 225.336 0.346 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362075065 387569436 /nfs/dbraw/zinc/56/94/36/387569436.db2.gz CGPKROBTJWRGMI-UONOGXRCSA-N 2 1 235.375 0.577 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362075065 387569437 /nfs/dbraw/zinc/56/94/37/387569437.db2.gz CGPKROBTJWRGMI-UONOGXRCSA-N 2 1 235.375 0.577 20 30 BCEDMP C=CCNC(=O)[C@H](C)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193636121 387859360 /nfs/dbraw/zinc/85/93/60/387859360.db2.gz AEZHVDCIRSFOPG-SDDRHHMPSA-N 2 1 237.347 0.171 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)OC ZINC000328076346 387864911 /nfs/dbraw/zinc/86/49/11/387864911.db2.gz FUACYFPUQZUUBF-VXGBXAGGSA-N 2 1 212.337 0.955 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H](C)OC ZINC000328076346 387864916 /nfs/dbraw/zinc/86/49/16/387864916.db2.gz FUACYFPUQZUUBF-VXGBXAGGSA-N 2 1 212.337 0.955 20 30 BCEDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000446756456 388037887 /nfs/dbraw/zinc/03/78/87/388037887.db2.gz IPLLDMSTYDCCBA-AGIUHOORSA-N 2 1 237.347 0.725 20 30 BCEDMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000446756456 388037889 /nfs/dbraw/zinc/03/78/89/388037889.db2.gz IPLLDMSTYDCCBA-AGIUHOORSA-N 2 1 237.347 0.725 20 30 BCEDMP C=CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102477 388143173 /nfs/dbraw/zinc/14/31/73/388143173.db2.gz KKTKQLAWNDANJC-UHFFFAOYSA-N 2 1 210.321 0.969 20 30 BCEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccccn1 ZINC000491515616 388300108 /nfs/dbraw/zinc/30/01/08/388300108.db2.gz OOKUHYIDZIADDB-UHFFFAOYSA-N 2 1 245.330 0.973 20 30 BCEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000491693129 388311336 /nfs/dbraw/zinc/31/13/36/388311336.db2.gz IKOMSHVKNFEQFM-LBPRGKRZSA-N 2 1 237.347 0.009 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000328284518 388590155 /nfs/dbraw/zinc/59/01/55/388590155.db2.gz QECSBXAEQQVHOP-CHWSQXEVSA-N 2 1 224.348 0.956 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000328284518 388590156 /nfs/dbraw/zinc/59/01/56/388590156.db2.gz QECSBXAEQQVHOP-CHWSQXEVSA-N 2 1 224.348 0.956 20 30 BCEDMP CC[C@H](CC#N)NC[C@@H](O)C[N@@H+](C)CC ZINC000521063743 388560612 /nfs/dbraw/zinc/56/06/12/388560612.db2.gz YVOUOBZCDBZFPQ-GHMZBOCLSA-N 2 1 213.325 0.581 20 30 BCEDMP CC[C@@H](CC#N)NC[C@H](O)C[N@@H+](C)CC ZINC000521063746 388560888 /nfs/dbraw/zinc/56/08/88/388560888.db2.gz YVOUOBZCDBZFPQ-QWRGUYRKSA-N 2 1 213.325 0.581 20 30 BCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000565950503 388981056 /nfs/dbraw/zinc/98/10/56/388981056.db2.gz GCQSYAQYDBGZSL-DGCLKSJQSA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@](C)(C[NH3+])C2)C1=O ZINC000565950503 388981060 /nfs/dbraw/zinc/98/10/60/388981060.db2.gz GCQSYAQYDBGZSL-DGCLKSJQSA-N 2 1 237.347 0.444 20 30 BCEDMP C=CCNC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368917791 134220517 /nfs/dbraw/zinc/22/05/17/134220517.db2.gz SJDWFSHZOIVOBE-GHMZBOCLSA-N 2 1 238.335 0.150 20 30 BCEDMP C#CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378314678 134245725 /nfs/dbraw/zinc/24/57/25/134245725.db2.gz HWBMJWOAMJNPEA-CABCVRRESA-N 2 1 249.402 0.968 20 30 BCEDMP C=C(C)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338285125 135031382 /nfs/dbraw/zinc/03/13/82/135031382.db2.gz CZKGCHBZLQXNIE-UHFFFAOYSA-N 2 1 239.363 0.658 20 30 BCEDMP C=C(C)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338285125 135031386 /nfs/dbraw/zinc/03/13/86/135031386.db2.gz CZKGCHBZLQXNIE-UHFFFAOYSA-N 2 1 239.363 0.658 20 30 BCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NC1CC1 ZINC000262145309 135115674 /nfs/dbraw/zinc/11/56/74/135115674.db2.gz QFAPRMYIXKSBOV-UHFFFAOYSA-N 2 1 221.308 0.519 20 30 BCEDMP C=CCNC(NCCn1cc[nH+]c1C)=[NH+]C ZINC000262945952 135123671 /nfs/dbraw/zinc/12/36/71/135123671.db2.gz AVVCSIJXBBXMRC-UHFFFAOYSA-N 2 1 221.308 0.543 20 30 BCEDMP CC[N@H+](C)CCNC(NCc1ccco1)=[NH+]C ZINC000264083732 135131761 /nfs/dbraw/zinc/13/17/61/135131761.db2.gz VBNVJLIVBIOAMY-UHFFFAOYSA-N 2 1 238.335 0.896 20 30 BCEDMP CC[N@@H+](C)CCNC(NCc1ccco1)=[NH+]C ZINC000264083732 135131762 /nfs/dbraw/zinc/13/17/62/135131762.db2.gz VBNVJLIVBIOAMY-UHFFFAOYSA-N 2 1 238.335 0.896 20 30 BCEDMP CNC(NCCCCn1cc[nH+]c1C)=[NH+]C ZINC000267478054 135154652 /nfs/dbraw/zinc/15/46/52/135154652.db2.gz ZXQJTQNINIEYOD-UHFFFAOYSA-N 2 1 223.324 0.767 20 30 BCEDMP CC[C@H](C)[N@@H+](C)CCNC1=[NH+]CCN1C ZINC000261530925 135158655 /nfs/dbraw/zinc/15/86/55/135158655.db2.gz DNKLPAKNXHHQAQ-JTQLQIEISA-N 2 1 212.341 0.608 20 30 BCEDMP CC[C@H](C)[N@@H+](C)CCNC1=[NH+]C[C@H](C)N1 ZINC000261532663 135163615 /nfs/dbraw/zinc/16/36/15/135163615.db2.gz KCOWHRUILUGUFU-UWVGGRQHSA-N 2 1 212.341 0.654 20 30 BCEDMP C[C@H](CNC1=[NH+]C[C@H](C)N1)[N@@H+](C)C1CC1 ZINC000261538355 135175658 /nfs/dbraw/zinc/17/56/58/135175658.db2.gz XVBYDHJRKHJZES-DTWKUNHWSA-N 2 1 210.325 0.406 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163838166 135209050 /nfs/dbraw/zinc/20/90/50/135209050.db2.gz YQXARWAGKVBMHP-SRVKXCTJSA-N 2 1 239.363 0.594 20 30 BCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163838166 135209051 /nfs/dbraw/zinc/20/90/51/135209051.db2.gz YQXARWAGKVBMHP-SRVKXCTJSA-N 2 1 239.363 0.594 20 30 BCEDMP C[C@@H]1C[NH+]=C(NC[C@H]2CC[N@H+](C3CC3)C2)N1 ZINC000261593922 135234210 /nfs/dbraw/zinc/23/42/10/135234210.db2.gz XDGHPEANWSXKFL-NXEZZACHSA-N 2 1 222.336 0.408 20 30 BCEDMP CNC(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261653247 135242765 /nfs/dbraw/zinc/24/27/65/135242765.db2.gz AFHFAXXWHGFNQG-WCBMZHEXSA-N 2 1 210.325 0.264 20 30 BCEDMP CN1CC[NH+]=C1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000262419820 135296160 /nfs/dbraw/zinc/29/61/60/135296160.db2.gz BBCXWUJCZJFCRJ-GFCCVEGCSA-N 2 1 236.363 0.894 20 30 BCEDMP C[NH+]=C(NC1CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262434223 135297079 /nfs/dbraw/zinc/29/70/79/135297079.db2.gz KVZDSVAHKNIPOI-SNVBAGLBSA-N 2 1 233.319 0.525 20 30 BCEDMP C=C(C)CNC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262471048 135301228 /nfs/dbraw/zinc/30/12/28/135301228.db2.gz NVPPPVWPDADBSW-SNVBAGLBSA-N 2 1 233.319 0.678 20 30 BCEDMP C[C@@H]1C[NH+]=C(NCC[N@H+]2CCCC[C@@H]2C)N1 ZINC000262478439 135302141 /nfs/dbraw/zinc/30/21/41/135302141.db2.gz CNQLPGFVKAGWAJ-MNOVXSKESA-N 2 1 224.352 0.798 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)NC ZINC000295028670 135378774 /nfs/dbraw/zinc/37/87/74/135378774.db2.gz OIFHYBQGIWVXOB-NSHDSACASA-N 2 1 225.336 0.056 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)NC ZINC000295028670 135378777 /nfs/dbraw/zinc/37/87/77/135378777.db2.gz OIFHYBQGIWVXOB-NSHDSACASA-N 2 1 225.336 0.056 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=O)C(=C)C[NH+](C)C ZINC000491667679 398057264 /nfs/dbraw/zinc/05/72/64/398057264.db2.gz RXIWTKCXYQBPBB-UHFFFAOYSA-N 2 1 237.347 0.176 20 30 BCEDMP C=CC[N@H+](CCOCC[NH3+])[C@H](C)COC ZINC000662299822 412085752 /nfs/dbraw/zinc/08/57/52/412085752.db2.gz XTEJTFCVADRTGQ-LLVKDONJSA-N 2 1 216.325 0.485 20 30 BCEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000358166870 173139583 /nfs/dbraw/zinc/13/95/83/173139583.db2.gz PKPIBNZYSSHUTF-CQSZACIVSA-N 2 1 245.326 0.714 20 30 BCEDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000358166870 173139585 /nfs/dbraw/zinc/13/95/85/173139585.db2.gz PKPIBNZYSSHUTF-CQSZACIVSA-N 2 1 245.326 0.714 20 30 BCEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248516751 323023975 /nfs/dbraw/zinc/02/39/75/323023975.db2.gz OYTPEVKRVUOEEK-IJLUTSLNSA-N 2 1 212.337 0.996 20 30 BCEDMP C=CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248516751 323023976 /nfs/dbraw/zinc/02/39/76/323023976.db2.gz OYTPEVKRVUOEEK-IJLUTSLNSA-N 2 1 212.337 0.996 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)C1=O ZINC000563349501 323120014 /nfs/dbraw/zinc/12/00/14/323120014.db2.gz RTGZPOZMNVVLQC-TUAOUCFPSA-N 2 1 237.347 0.585 20 30 BCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)C1=O ZINC000563349501 323120015 /nfs/dbraw/zinc/12/00/15/323120015.db2.gz RTGZPOZMNVVLQC-TUAOUCFPSA-N 2 1 237.347 0.585 20 30 BCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)O)CC1 ZINC000563617757 323131793 /nfs/dbraw/zinc/13/17/93/323131793.db2.gz RVACJKQDYJVYTR-NSHDSACASA-N 2 1 212.337 0.997 20 30 BCEDMP C=CCC[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000320666482 323182951 /nfs/dbraw/zinc/18/29/51/323182951.db2.gz RMUSPVJGTJZYOA-WCQYABFASA-N 2 1 242.363 0.358 20 30 BCEDMP C=CCC[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000320666482 323182952 /nfs/dbraw/zinc/18/29/52/323182952.db2.gz RMUSPVJGTJZYOA-WCQYABFASA-N 2 1 242.363 0.358 20 30 BCEDMP C=CCCC[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566571955 326065936 /nfs/dbraw/zinc/06/59/36/326065936.db2.gz IBSVDTFWBNFYAL-GHMZBOCLSA-N 2 1 223.320 0.196 20 30 BCEDMP C=CC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000335397084 534853540 /nfs/dbraw/zinc/85/35/40/534853540.db2.gz UUVACXPWTAYSQX-LLVKDONJSA-N 2 1 210.321 0.860 20 30 BCEDMP CC(C)NC(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1 ZINC000262487125 535125073 /nfs/dbraw/zinc/12/50/73/535125073.db2.gz SUHLSORCTSIYBC-NSHDSACASA-N 2 1 244.408 0.736 20 30 BCEDMP CN(C(=[NH2+])NCC1([NH+](C)C)CC1)C1CC1 ZINC000263186594 536110871 /nfs/dbraw/zinc/11/08/71/536110871.db2.gz UXKHURWXAMLBIO-UHFFFAOYSA-N 2 1 210.325 0.490 20 30 BCEDMP C#C[C@@H]1COCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000894865779 583536991 /nfs/dbraw/zinc/53/69/91/583536991.db2.gz MGESKLGXTKJCAW-CYBMUJFWSA-N 2 1 222.332 0.662 20 30 BCEDMP C#C[C@@H]1COCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894865779 583536992 /nfs/dbraw/zinc/53/69/92/583536992.db2.gz MGESKLGXTKJCAW-CYBMUJFWSA-N 2 1 222.332 0.662 20 30 BCEDMP CC(C)[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000203308233 583967284 /nfs/dbraw/zinc/96/72/84/583967284.db2.gz XFDYYVSENXSVCP-JTQLQIEISA-N 2 1 224.352 0.783 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000900847393 584356870 /nfs/dbraw/zinc/35/68/70/584356870.db2.gz OVFGXDFBDIPLHX-LBPRGKRZSA-N 2 1 239.363 0.657 20 30 BCEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000900847393 584356871 /nfs/dbraw/zinc/35/68/71/584356871.db2.gz OVFGXDFBDIPLHX-LBPRGKRZSA-N 2 1 239.363 0.657 20 30 BCEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000903454168 584773686 /nfs/dbraw/zinc/77/36/86/584773686.db2.gz WGJIJJDEJBXEEO-ZDUSSCGKSA-N 2 1 247.342 0.927 20 30 BCEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000903454168 584773688 /nfs/dbraw/zinc/77/36/88/584773688.db2.gz WGJIJJDEJBXEEO-ZDUSSCGKSA-N 2 1 247.342 0.927 20 30 BCEDMP CC[N@H+]1CCC(=[NH+]n2cnnc2)[C@H](C)C1 ZINC000741451951 584925228 /nfs/dbraw/zinc/92/52/28/584925228.db2.gz ZCMUTOHISAJANM-SECBINFHSA-N 2 1 207.281 0.844 20 30 BCEDMP CC[N@H+]1CCC(=[NH+]n2cnnc2)[C@@H](C)C1 ZINC000741451956 584925274 /nfs/dbraw/zinc/92/52/74/584925274.db2.gz ZCMUTOHISAJANM-VIFPVBQESA-N 2 1 207.281 0.844 20 30 BCEDMP CC[N@@H+]1CCC(=NN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000741451426 585114107 /nfs/dbraw/zinc/11/41/07/585114107.db2.gz OSAQCDWQPLXWCA-GFCCVEGCSA-N 2 1 238.379 0.952 20 30 BCEDMP CC[N@H+]1CCC(=NN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000741451426 585114108 /nfs/dbraw/zinc/11/41/08/585114108.db2.gz OSAQCDWQPLXWCA-GFCCVEGCSA-N 2 1 238.379 0.952 20 30 BCEDMP CC(C)[N@@H+]1CC(=NN2CCN(C)CC2)[C@H](C)C1 ZINC000754255416 585281333 /nfs/dbraw/zinc/28/13/33/585281333.db2.gz RERCLZNYZMANBV-GFCCVEGCSA-N 2 1 238.379 0.950 20 30 BCEDMP CC(C)N1CC(=NN2CCN(C)CC2)[C@H](C)C1 ZINC000754255416 585281334 /nfs/dbraw/zinc/28/13/34/585281334.db2.gz RERCLZNYZMANBV-GFCCVEGCSA-N 2 1 238.379 0.950 20 30 BCEDMP C#CC(C)(C)[N@H+](C)C[C@@H](O)CN1CCCC1 ZINC000794579275 586044955 /nfs/dbraw/zinc/04/49/55/586044955.db2.gz YMFAKBYGNIVVPF-GFCCVEGCSA-N 2 1 224.348 0.787 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)C1CC1 ZINC000819334095 586953399 /nfs/dbraw/zinc/95/33/99/586953399.db2.gz BXTKTZLNBJPUJL-GFCCVEGCSA-N 2 1 210.321 0.302 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)C1CC1 ZINC000819334095 586953401 /nfs/dbraw/zinc/95/34/01/586953401.db2.gz BXTKTZLNBJPUJL-GFCCVEGCSA-N 2 1 210.321 0.302 20 30 BCEDMP C#C[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000847019393 588301935 /nfs/dbraw/zinc/30/19/35/588301935.db2.gz PRQWIKLPXVHIIC-STQMWFEESA-N 2 1 224.348 0.644 20 30 BCEDMP C#C[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000847019393 588301936 /nfs/dbraw/zinc/30/19/36/588301936.db2.gz PRQWIKLPXVHIIC-STQMWFEESA-N 2 1 224.348 0.644 20 30 BCEDMP C#C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000847019393 588301937 /nfs/dbraw/zinc/30/19/37/588301937.db2.gz PRQWIKLPXVHIIC-STQMWFEESA-N 2 1 224.348 0.644 20 30 BCEDMP C#C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000847019393 588301938 /nfs/dbraw/zinc/30/19/38/588301938.db2.gz PRQWIKLPXVHIIC-STQMWFEESA-N 2 1 224.348 0.644 20 30 BCEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)C1)NC1CC1 ZINC000849005595 588432755 /nfs/dbraw/zinc/43/27/55/588432755.db2.gz ZQIBXWWHDQMCQT-JTQLQIEISA-N 2 1 224.352 0.656 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC#N ZINC000849017498 588437415 /nfs/dbraw/zinc/43/74/15/588437415.db2.gz KMTGTLARNDYJDP-NSHDSACASA-N 2 1 237.351 0.888 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC#N ZINC000849017497 588437462 /nfs/dbraw/zinc/43/74/62/588437462.db2.gz KMTGTLARNDYJDP-LLVKDONJSA-N 2 1 237.351 0.888 20 30 BCEDMP CNC(NCCCC[N@H+]1CCC[C@H]1CO)=[NH+]C ZINC000849214588 588461817 /nfs/dbraw/zinc/46/18/17/588461817.db2.gz SUCJXGIWFZFCNX-NSHDSACASA-N 2 1 242.367 0.018 20 30 BCEDMP C#CCOCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000851810472 588632137 /nfs/dbraw/zinc/63/21/37/588632137.db2.gz GBPYYBRRIUMGLK-UHFFFAOYSA-N 2 1 245.326 0.853 20 30 BCEDMP C#CC[N@H+](C)CCCNC(=[NH2+])N(C)CCOC ZINC000871605392 589775307 /nfs/dbraw/zinc/77/53/07/589775307.db2.gz DLOSYZDBUJJVLA-UHFFFAOYSA-N 2 1 240.351 0.044 20 30 BCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872153430 589884970 /nfs/dbraw/zinc/88/49/70/589884970.db2.gz ABNKNENJHSDVED-SGMGOOAPSA-N 2 1 249.358 0.315 20 30 BCEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+](C)C(C)C ZINC000876748811 590237263 /nfs/dbraw/zinc/23/72/63/590237263.db2.gz HUALSJMUZMNSBF-JTQLQIEISA-N 2 1 247.770 0.913 20 30 BCEDMP C#CCOCC[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000878866223 590634503 /nfs/dbraw/zinc/63/45/03/590634503.db2.gz RSBCAYGCXYPSCI-CYBMUJFWSA-N 2 1 240.347 0.025 20 30 BCEDMP C[N@@H+]1CC[C@H]2C[NH+](CCOCCC#N)CC[C@H]21 ZINC000879578423 590815254 /nfs/dbraw/zinc/81/52/54/590815254.db2.gz DWEOYHLQBUMKCT-QWHCGFSZSA-N 2 1 237.347 0.943 20 30 BCEDMP C[N@H+]1CC[C@H]2C[NH+](CCOCCC#N)CC[C@H]21 ZINC000879578423 590815257 /nfs/dbraw/zinc/81/52/57/590815257.db2.gz DWEOYHLQBUMKCT-QWHCGFSZSA-N 2 1 237.347 0.943 20 30 BCEDMP C[NH+]1CC[C@H]2C[N@H+](CCOCCC#N)CC[C@H]21 ZINC000879578423 590815260 /nfs/dbraw/zinc/81/52/60/590815260.db2.gz DWEOYHLQBUMKCT-QWHCGFSZSA-N 2 1 237.347 0.943 20 30 BCEDMP C[NH+]1CC[C@H]2C[N@@H+](CCOCCC#N)CC[C@H]21 ZINC000879578423 590815263 /nfs/dbraw/zinc/81/52/63/590815263.db2.gz DWEOYHLQBUMKCT-QWHCGFSZSA-N 2 1 237.347 0.943 20 30 BCEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])N(C)C)C1 ZINC000134120043 591888383 /nfs/dbraw/zinc/88/83/83/591888383.db2.gz QEEAWBFMDMTKCC-NSHDSACASA-N 2 1 226.368 0.841 20 30 BCEDMP C#CC[C@H]1CC[N@H+](C[C@@H](O)CN(C)CC)C1 ZINC000886365674 592219780 /nfs/dbraw/zinc/21/97/80/592219780.db2.gz NLERMPOECYEUIK-STQMWFEESA-N 2 1 224.348 0.644 20 30 BCEDMP C#CC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000886365674 592219782 /nfs/dbraw/zinc/21/97/82/592219782.db2.gz NLERMPOECYEUIK-STQMWFEESA-N 2 1 224.348 0.644 20 30 BCEDMP C#CC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000886365674 592219784 /nfs/dbraw/zinc/21/97/84/592219784.db2.gz NLERMPOECYEUIK-STQMWFEESA-N 2 1 224.348 0.644 20 30 BCEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NC1CC1 ZINC000103337555 592578907 /nfs/dbraw/zinc/57/89/07/592578907.db2.gz CRWWTGDDHSVBMC-SECBINFHSA-N 2 1 210.325 0.266 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCOCC1 ZINC000104153958 592602249 /nfs/dbraw/zinc/60/22/49/592602249.db2.gz QUJBKEXSIGNVCQ-NSHDSACASA-N 2 1 240.351 0.118 20 30 BCEDMP C[C@H](C#N)OCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000310470332 632745659 /nfs/dbraw/zinc/74/56/59/632745659.db2.gz BFESOJXLANHNJE-CHWSQXEVSA-N 2 1 237.347 0.943 20 30 BCEDMP C[C@H](C#N)OCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000310470332 632745663 /nfs/dbraw/zinc/74/56/63/632745663.db2.gz BFESOJXLANHNJE-CHWSQXEVSA-N 2 1 237.347 0.943 20 30 BCEDMP C[C@H](C#N)OCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000310470332 632745666 /nfs/dbraw/zinc/74/56/66/632745666.db2.gz BFESOJXLANHNJE-CHWSQXEVSA-N 2 1 237.347 0.943 20 30 BCEDMP C[C@H](C#N)OCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000310470332 632745670 /nfs/dbraw/zinc/74/56/70/632745670.db2.gz BFESOJXLANHNJE-CHWSQXEVSA-N 2 1 237.347 0.943 20 30 BCEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028981171 635860363 /nfs/dbraw/zinc/86/03/63/635860363.db2.gz JDGTZKWNYNHZRS-STQMWFEESA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028981171 635860368 /nfs/dbraw/zinc/86/03/68/635860368.db2.gz JDGTZKWNYNHZRS-STQMWFEESA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028981171 635860374 /nfs/dbraw/zinc/86/03/74/635860374.db2.gz JDGTZKWNYNHZRS-STQMWFEESA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028981169 635860970 /nfs/dbraw/zinc/86/09/70/635860970.db2.gz JDGTZKWNYNHZRS-OLZOCXBDSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028981169 635860977 /nfs/dbraw/zinc/86/09/77/635860977.db2.gz JDGTZKWNYNHZRS-OLZOCXBDSA-N 2 1 249.358 0.009 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001028981169 635860980 /nfs/dbraw/zinc/86/09/80/635860980.db2.gz JDGTZKWNYNHZRS-OLZOCXBDSA-N 2 1 249.358 0.009 20 30 BCEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])N(C)C ZINC000170914443 633178321 /nfs/dbraw/zinc/17/83/21/633178321.db2.gz KQUUDDYVKWZQPY-SECBINFHSA-N 2 1 200.330 0.593 20 30 BCEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000303976257 635935184 /nfs/dbraw/zinc/93/51/84/635935184.db2.gz KAOQOPMWQHFLHN-LLVKDONJSA-N 2 1 240.351 0.164 20 30 BCEDMP C=CCOCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328573972 633778682 /nfs/dbraw/zinc/77/86/82/633778682.db2.gz WKXFXUPGYNICDM-JZRPKSSGSA-N 2 1 222.332 0.775 20 30 BCEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001019771473 633787796 /nfs/dbraw/zinc/78/77/96/633787796.db2.gz OZVKKBSHMTWXQF-RYUDHWBXSA-N 2 1 237.347 0.315 20 30 BCEDMP CCNC(NCC[NH+]1CCC(O)CC1)=[NH+]CC ZINC000321134451 636577977 /nfs/dbraw/zinc/57/79/77/636577977.db2.gz CPGUBEAMJCHCDO-UHFFFAOYSA-N 2 1 242.367 0.018 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(OC)CC1 ZINC000323212012 636906854 /nfs/dbraw/zinc/90/68/54/636906854.db2.gz XFQDFRJZWFWQLB-UHFFFAOYSA-N 2 1 239.363 0.557 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(OC)CC1 ZINC000323212012 636906858 /nfs/dbraw/zinc/90/68/58/636906858.db2.gz XFQDFRJZWFWQLB-UHFFFAOYSA-N 2 1 239.363 0.557 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@](C)(O)C(F)F ZINC000905271244 637729880 /nfs/dbraw/zinc/72/98/80/637729880.db2.gz BHKNYHURCJOXAW-LLVKDONJSA-N 2 1 234.290 0.547 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@](C)(O)C(F)F ZINC000905271244 637729888 /nfs/dbraw/zinc/72/98/88/637729888.db2.gz BHKNYHURCJOXAW-LLVKDONJSA-N 2 1 234.290 0.547 20 30 BCEDMP N#CCCOCCN1CCc2nccc(N)c2C1 ZINC000931517750 640240721 /nfs/dbraw/zinc/24/07/21/640240721.db2.gz KZLGOXUDBXOWQJ-UHFFFAOYSA-N 2 1 246.314 0.952 20 30 BCEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031385098 642048791 /nfs/dbraw/zinc/04/87/91/642048791.db2.gz ULIFQTFJZGQKSY-NSHDSACASA-N 2 1 237.347 0.315 20 30 BCEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031385098 642048792 /nfs/dbraw/zinc/04/87/92/642048792.db2.gz ULIFQTFJZGQKSY-NSHDSACASA-N 2 1 237.347 0.315 20 30 BCEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971204808 642325671 /nfs/dbraw/zinc/32/56/71/642325671.db2.gz OYWUHVGNRUNBIK-CHWSQXEVSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000971204808 642325674 /nfs/dbraw/zinc/32/56/74/642325674.db2.gz OYWUHVGNRUNBIK-CHWSQXEVSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000971204808 642325679 /nfs/dbraw/zinc/32/56/79/642325679.db2.gz OYWUHVGNRUNBIK-CHWSQXEVSA-N 2 1 249.358 0.247 20 30 BCEDMP CN(C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000305832366 642703139 /nfs/dbraw/zinc/70/31/39/642703139.db2.gz VAVLNHAXJHSANK-JTQLQIEISA-N 2 1 224.352 0.737 20 30 BCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014491642 642888677 /nfs/dbraw/zinc/88/86/77/642888677.db2.gz JZMTYMMTFSQACJ-FRRDWIJNSA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014491642 642888683 /nfs/dbraw/zinc/88/86/83/642888683.db2.gz JZMTYMMTFSQACJ-FRRDWIJNSA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014491642 642888685 /nfs/dbraw/zinc/88/86/85/642888685.db2.gz JZMTYMMTFSQACJ-FRRDWIJNSA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014491642 642888688 /nfs/dbraw/zinc/88/86/88/642888688.db2.gz JZMTYMMTFSQACJ-FRRDWIJNSA-N 2 1 249.358 0.150 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649772 642919082 /nfs/dbraw/zinc/91/90/82/642919082.db2.gz ZNVVICKXYWRUGW-CYBMUJFWSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649772 642919086 /nfs/dbraw/zinc/91/90/86/642919086.db2.gz ZNVVICKXYWRUGW-CYBMUJFWSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016248623 642953646 /nfs/dbraw/zinc/95/36/46/642953646.db2.gz CGUAALGCDRLMSR-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016248623 642953654 /nfs/dbraw/zinc/95/36/54/642953654.db2.gz CGUAALGCDRLMSR-OLZOCXBDSA-N 2 1 249.358 0.152 20 30 BCEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001019044248 643018416 /nfs/dbraw/zinc/01/84/16/643018416.db2.gz QWNBMVMDPZZALP-QWHCGFSZSA-N 2 1 249.358 0.294 20 30 BCEDMP C=CCNC(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000083094135 643409763 /nfs/dbraw/zinc/40/97/63/643409763.db2.gz JMQWTHCAXWAXFB-SNVBAGLBSA-N 2 1 222.336 0.574 20 30 BCEDMP C=CCNC(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000083094135 643409769 /nfs/dbraw/zinc/40/97/69/643409769.db2.gz JMQWTHCAXWAXFB-SNVBAGLBSA-N 2 1 222.336 0.574 20 30 BCEDMP C[NH+]=C(NCC1CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083093870 643409803 /nfs/dbraw/zinc/40/98/03/643409803.db2.gz MLKXKYDPUWDTBP-NSHDSACASA-N 2 1 236.363 0.798 20 30 BCEDMP C[NH+]=C(NCC1CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083093870 643409808 /nfs/dbraw/zinc/40/98/08/643409808.db2.gz MLKXKYDPUWDTBP-NSHDSACASA-N 2 1 236.363 0.798 20 30 BCEDMP C=CCNC(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]CC ZINC000083101054 643411932 /nfs/dbraw/zinc/41/19/32/643411932.db2.gz ODJAJEWEAORPSE-LLVKDONJSA-N 2 1 236.363 0.964 20 30 BCEDMP C=CCNC(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]CC ZINC000083101054 643411938 /nfs/dbraw/zinc/41/19/38/643411938.db2.gz ODJAJEWEAORPSE-LLVKDONJSA-N 2 1 236.363 0.964 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000923282319 644315541 /nfs/dbraw/zinc/31/55/41/644315541.db2.gz MXPOBVAIJHNAAL-VXGBXAGGSA-N 2 1 212.337 0.984 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923332309 644352738 /nfs/dbraw/zinc/35/27/38/644352738.db2.gz KXVDLGHCKBKGAY-CYDGBPFRSA-N 2 1 224.348 0.983 20 30 BCEDMP C[C@]1(C#N)CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394824 644402873 /nfs/dbraw/zinc/40/28/73/644402873.db2.gz FZMRIYRQBFMRRA-VXGBXAGGSA-N 2 1 235.331 0.600 20 30 BCEDMP C[C@]1(C#N)CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394824 644402876 /nfs/dbraw/zinc/40/28/76/644402876.db2.gz FZMRIYRQBFMRRA-VXGBXAGGSA-N 2 1 235.331 0.600 20 30 BCEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000923430431 644422546 /nfs/dbraw/zinc/42/25/46/644422546.db2.gz LEQQHSGHHUFDLA-QWRGUYRKSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@H](O)C[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000923430431 644422550 /nfs/dbraw/zinc/42/25/50/644422550.db2.gz LEQQHSGHHUFDLA-QWRGUYRKSA-N 2 1 212.337 0.983 20 30 BCEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923478509 644455856 /nfs/dbraw/zinc/45/58/56/644455856.db2.gz DAPUJSKDIBTKQF-VXGBXAGGSA-N 2 1 212.337 0.984 20 30 BCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CC[NH3+])C2)C1=O ZINC000923482401 644459484 /nfs/dbraw/zinc/45/94/84/644459484.db2.gz ZKTNZYLYQJPXBF-VXGBXAGGSA-N 2 1 237.347 0.444 20 30 BCEDMP CC[N@H+]1CCC[C@H]1CNC(NC1CC1)=[NH+]C ZINC000303386905 644820563 /nfs/dbraw/zinc/82/05/63/644820563.db2.gz AWMMXMMUWYPAMZ-NSHDSACASA-N 2 1 224.352 0.798 20 30 BCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000303696812 644839420 /nfs/dbraw/zinc/83/94/20/644839420.db2.gz FHUHUKPALRQZFN-GHMZBOCLSA-N 2 1 242.367 0.410 20 30 BCEDMP CCNC(=[NH2+])NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000303791996 644847301 /nfs/dbraw/zinc/84/73/01/644847301.db2.gz YBOFBKFSUQNNGA-NSHDSACASA-N 2 1 242.367 0.267 20 30 BCEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000303895833 644855685 /nfs/dbraw/zinc/85/56/85/644855685.db2.gz PQOYWGYTOPFMML-VXGBXAGGSA-N 2 1 238.379 0.985 20 30 BCEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000303968782 644861474 /nfs/dbraw/zinc/86/14/74/644861474.db2.gz AZOUNSNICVNYAI-VHSXEESVSA-N 2 1 242.367 0.408 20 30 BCEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000304754202 644930745 /nfs/dbraw/zinc/93/07/45/644930745.db2.gz LSQYWGUYZJLRRX-GHMZBOCLSA-N 2 1 242.367 0.267 20 30 BCEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1 ZINC000304754205 644930909 /nfs/dbraw/zinc/93/09/09/644930909.db2.gz LSQYWGUYZJLRRX-WDEREUQCSA-N 2 1 242.367 0.267 20 30 BCEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000928653200 645853115 /nfs/dbraw/zinc/85/31/15/645853115.db2.gz CZWMPNRBKMQEFI-GFCCVEGCSA-N 2 1 249.358 0.152 20 30 BCEDMP CC[N@H+]1CC[C@@H](N(C)C[C@H](O)CC#N)[C@@H](C)C1 ZINC000929998482 646389676 /nfs/dbraw/zinc/38/96/76/646389676.db2.gz FHYDAPXOSGTRLM-YNEHKIRRSA-N 2 1 239.363 0.923 20 30 BCEDMP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)CC#N)[C@@H](C)C1 ZINC000929998482 646389681 /nfs/dbraw/zinc/38/96/81/646389681.db2.gz FHYDAPXOSGTRLM-YNEHKIRRSA-N 2 1 239.363 0.923 20 30 BCEDMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)CC#N)[C@@H](C)C1 ZINC000929998482 646389694 /nfs/dbraw/zinc/38/96/94/646389694.db2.gz FHYDAPXOSGTRLM-YNEHKIRRSA-N 2 1 239.363 0.923 20 30 BCEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925682355 646408952 /nfs/dbraw/zinc/40/89/52/646408952.db2.gz BDXDUQOBZHQILN-XVZUFCMUSA-N 2 1 234.343 0.916 20 30 BCEDMP Cc1nccn1CCC[N@H+](C)C[C@H](O)CC#N ZINC000930061514 646413994 /nfs/dbraw/zinc/41/39/94/646413994.db2.gz SBSFTZCBQDABKJ-GFCCVEGCSA-N 2 1 236.319 0.788 20 30 BCEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)CC#N ZINC000930061514 646413998 /nfs/dbraw/zinc/41/39/98/646413998.db2.gz SBSFTZCBQDABKJ-GFCCVEGCSA-N 2 1 236.319 0.788 20 30 BCEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)CC#N ZINC000930061514 646413999 /nfs/dbraw/zinc/41/39/99/646413999.db2.gz SBSFTZCBQDABKJ-GFCCVEGCSA-N 2 1 236.319 0.788 20 30 BCEDMP C#CC[C@@H](COC)[NH2+]C1CC[NH+](C)CC1 ZINC000716930062 712596557 /nfs/dbraw/zinc/59/65/57/712596557.db2.gz XGQJJFPWLMGFDZ-LBPRGKRZSA-N 2 1 210.321 0.709 20 30 BCEDMP C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000384227107 710837344 /nfs/dbraw/zinc/83/73/44/710837344.db2.gz VRVIWPGYGAQIPN-CHWSQXEVSA-N 2 1 224.348 0.835 20 30 BCEDMP C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046190822 710854148 /nfs/dbraw/zinc/85/41/48/710854148.db2.gz XIGXZEIFDIKNKO-GXTWGEPZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046190822 710854156 /nfs/dbraw/zinc/85/41/56/710854156.db2.gz XIGXZEIFDIKNKO-GXTWGEPZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046190822 710854161 /nfs/dbraw/zinc/85/41/61/710854161.db2.gz XIGXZEIFDIKNKO-GXTWGEPZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046190822 710854163 /nfs/dbraw/zinc/85/41/63/710854163.db2.gz XIGXZEIFDIKNKO-GXTWGEPZSA-N 2 1 249.358 0.294 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(OC)C1 ZINC000392823407 711152553 /nfs/dbraw/zinc/15/25/53/711152553.db2.gz JCXJUVODTVHGRG-UHFFFAOYSA-N 2 1 210.321 0.709 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(OC)C1 ZINC000392823407 711152555 /nfs/dbraw/zinc/15/25/55/711152555.db2.gz JCXJUVODTVHGRG-UHFFFAOYSA-N 2 1 210.321 0.709 20 30 BCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723885961 711543388 /nfs/dbraw/zinc/54/33/88/711543388.db2.gz DOUAPQITHHPZJJ-GHMZBOCLSA-N 2 1 225.336 0.205 20 30 BCEDMP N#Cc1cncc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000721862790 711791911 /nfs/dbraw/zinc/79/19/11/711791911.db2.gz YJFQLGSIVHNGHK-UHFFFAOYSA-N 2 1 246.318 0.183 20 30 BCEDMP CCNC(NCC1([NH+](C)C)CC1)=[NH+]CC ZINC000397835777 711871924 /nfs/dbraw/zinc/87/19/24/711871924.db2.gz OOWDCBOGGKTDID-UHFFFAOYSA-N 2 1 212.341 0.656 20 30 BCEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032945227 711968533 /nfs/dbraw/zinc/96/85/33/711968533.db2.gz OTRWRORIHXWSRQ-CHWSQXEVSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032945227 711968537 /nfs/dbraw/zinc/96/85/37/711968537.db2.gz OTRWRORIHXWSRQ-CHWSQXEVSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032945227 711968538 /nfs/dbraw/zinc/96/85/38/711968538.db2.gz OTRWRORIHXWSRQ-CHWSQXEVSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032945227 711968542 /nfs/dbraw/zinc/96/85/42/711968542.db2.gz OTRWRORIHXWSRQ-CHWSQXEVSA-N 2 1 249.358 0.247 20 30 BCEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033707744 712014168 /nfs/dbraw/zinc/01/41/68/712014168.db2.gz SFISALYTCVLTMH-LBPRGKRZSA-N 2 1 246.314 0.049 20 30 BCEDMP C#CCN1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033707744 712014170 /nfs/dbraw/zinc/01/41/70/712014170.db2.gz SFISALYTCVLTMH-LBPRGKRZSA-N 2 1 246.314 0.049 20 30 BCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080934799 712353760 /nfs/dbraw/zinc/35/37/60/712353760.db2.gz BMOIJXASKUQAKJ-FRRDWIJNSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080934799 712353761 /nfs/dbraw/zinc/35/37/61/712353761.db2.gz BMOIJXASKUQAKJ-FRRDWIJNSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080934799 712353763 /nfs/dbraw/zinc/35/37/63/712353763.db2.gz BMOIJXASKUQAKJ-FRRDWIJNSA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080934800 712354309 /nfs/dbraw/zinc/35/43/09/712354309.db2.gz BMOIJXASKUQAKJ-JHJVBQTASA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080934800 712354310 /nfs/dbraw/zinc/35/43/10/712354310.db2.gz BMOIJXASKUQAKJ-JHJVBQTASA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080934800 712354312 /nfs/dbraw/zinc/35/43/12/712354312.db2.gz BMOIJXASKUQAKJ-JHJVBQTASA-N 2 1 249.358 0.008 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]CC1=CCCOC1 ZINC000379565029 712388413 /nfs/dbraw/zinc/38/84/13/712388413.db2.gz DYTHEHXLFPCOSC-UHFFFAOYSA-N 2 1 222.332 0.878 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]CC1=CCCOC1 ZINC000379565029 712388414 /nfs/dbraw/zinc/38/84/14/712388414.db2.gz DYTHEHXLFPCOSC-UHFFFAOYSA-N 2 1 222.332 0.878 20 30 BCEDMP C=CC[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000714994984 712503083 /nfs/dbraw/zinc/50/30/83/712503083.db2.gz DLDQKNKPXJUJFO-NWDGAFQWSA-N 2 1 239.363 0.738 20 30 BCEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715103603 712508983 /nfs/dbraw/zinc/50/89/83/712508983.db2.gz IBGBTKCUDYLVAC-LBPRGKRZSA-N 2 1 240.347 0.683 20 30 BCEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715103603 712508985 /nfs/dbraw/zinc/50/89/85/712508985.db2.gz IBGBTKCUDYLVAC-LBPRGKRZSA-N 2 1 240.347 0.683 20 30 BCEDMP C#CC[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000717840518 712691445 /nfs/dbraw/zinc/69/14/45/712691445.db2.gz IALSKDMUIUYDHR-YNEHKIRRSA-N 2 1 222.332 0.587 20 30 BCEDMP