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ZINC001098688395 792051660 /nfs/dbraw/zinc/05/16/60/792051660.db2.gz OECMXWVBLARLDS-JTQLQIEISA-N 0 2 344.335 -1.316 20 30 EAEDLN C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001098688396 792050969 /nfs/dbraw/zinc/05/09/69/792050969.db2.gz OECMXWVBLARLDS-SNVBAGLBSA-N 0 2 344.335 -1.316 20 30 EAEDLN N#CCSCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099693823 786284715 /nfs/dbraw/zinc/28/47/15/786284715.db2.gz YJSFYJFBJFCWDE-BDAKNGLRSA-N 0 2 326.382 -1.182 20 30 EAEDLN N#CCSCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099693824 786285263 /nfs/dbraw/zinc/28/52/63/786285263.db2.gz YJSFYJFBJFCWDE-DTWKUNHWSA-N 0 2 326.382 -1.182 20 30 EAEDLN N#CCSCC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099693825 786284907 /nfs/dbraw/zinc/28/49/07/786284907.db2.gz YJSFYJFBJFCWDE-IUCAKERBSA-N 0 2 326.382 -1.182 20 30 EAEDLN N#CCSCC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099693826 786284538 /nfs/dbraw/zinc/28/45/38/786284538.db2.gz YJSFYJFBJFCWDE-RKDXNWHRSA-N 0 2 326.382 -1.182 20 30 EAEDLN C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099772365 792152681 /nfs/dbraw/zinc/15/26/81/792152681.db2.gz LDSSHCQIITWVPM-GHMZBOCLSA-N 0 2 335.364 -1.662 20 30 EAEDLN C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099772365 792152675 /nfs/dbraw/zinc/15/26/75/792152675.db2.gz LDSSHCQIITWVPM-GHMZBOCLSA-N 0 2 335.364 -1.662 20 30 EAEDLN C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099772372 792154064 /nfs/dbraw/zinc/15/40/64/792154064.db2.gz LDSSHCQIITWVPM-MNOVXSKESA-N 0 2 335.364 -1.662 20 30 EAEDLN C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099772372 792154057 /nfs/dbraw/zinc/15/40/57/792154057.db2.gz LDSSHCQIITWVPM-MNOVXSKESA-N 0 2 335.364 -1.662 20 30 EAEDLN C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099772374 792154381 /nfs/dbraw/zinc/15/43/81/792154381.db2.gz LDSSHCQIITWVPM-QWRGUYRKSA-N 0 2 335.364 -1.662 20 30 EAEDLN C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099772374 792154372 /nfs/dbraw/zinc/15/43/72/792154372.db2.gz LDSSHCQIITWVPM-QWRGUYRKSA-N 0 2 335.364 -1.662 20 30 EAEDLN C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099772376 792153917 /nfs/dbraw/zinc/15/39/17/792153917.db2.gz LDSSHCQIITWVPM-WDEREUQCSA-N 0 2 335.364 -1.662 20 30 EAEDLN C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099772376 792153909 /nfs/dbraw/zinc/15/39/09/792153909.db2.gz LDSSHCQIITWVPM-WDEREUQCSA-N 0 2 335.364 -1.662 20 30 EAEDLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1[O-] ZINC001099772474 792152598 /nfs/dbraw/zinc/15/25/98/792152598.db2.gz LSHHYHTUNMGXSR-NXEZZACHSA-N 0 2 336.352 -1.772 20 30 EAEDLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1[O-] ZINC001099772474 792152591 /nfs/dbraw/zinc/15/25/91/792152591.db2.gz LSHHYHTUNMGXSR-NXEZZACHSA-N 0 2 336.352 -1.772 20 30 EAEDLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1[O-] ZINC001099772475 792152770 /nfs/dbraw/zinc/15/27/70/792152770.db2.gz LSHHYHTUNMGXSR-UWVGGRQHSA-N 0 2 336.352 -1.772 20 30 EAEDLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1[O-] ZINC001099772475 792152759 /nfs/dbraw/zinc/15/27/59/792152759.db2.gz LSHHYHTUNMGXSR-UWVGGRQHSA-N 0 2 336.352 -1.772 20 30 EAEDLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)c1[O-] ZINC001099772476 792153082 /nfs/dbraw/zinc/15/30/82/792153082.db2.gz LSHHYHTUNMGXSR-VHSXEESVSA-N 0 2 336.352 -1.772 20 30 EAEDLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)c1[O-] ZINC001099772476 792153072 /nfs/dbraw/zinc/15/30/72/792153072.db2.gz LSHHYHTUNMGXSR-VHSXEESVSA-N 0 2 336.352 -1.772 20 30 EAEDLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)c1[O-] ZINC001099772477 792153713 /nfs/dbraw/zinc/15/37/13/792153713.db2.gz LSHHYHTUNMGXSR-ZJUUUORDSA-N 0 2 336.352 -1.772 20 30 EAEDLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)c1[O-] ZINC001099772477 792153709 /nfs/dbraw/zinc/15/37/09/792153709.db2.gz LSHHYHTUNMGXSR-ZJUUUORDSA-N 0 2 336.352 -1.772 20 30 EAEDLN C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099773606 792153597 /nfs/dbraw/zinc/15/35/97/792153597.db2.gz VRKLCZCLKWRJAZ-GHMZBOCLSA-N 0 2 337.380 -1.109 20 30 EAEDLN C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099773606 792153593 /nfs/dbraw/zinc/15/35/93/792153593.db2.gz VRKLCZCLKWRJAZ-GHMZBOCLSA-N 0 2 337.380 -1.109 20 30 EAEDLN C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099773607 792154480 /nfs/dbraw/zinc/15/44/80/792154480.db2.gz VRKLCZCLKWRJAZ-MNOVXSKESA-N 0 2 337.380 -1.109 20 30 EAEDLN C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099773607 792154474 /nfs/dbraw/zinc/15/44/74/792154474.db2.gz VRKLCZCLKWRJAZ-MNOVXSKESA-N 0 2 337.380 -1.109 20 30 EAEDLN C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099773608 792153723 /nfs/dbraw/zinc/15/37/23/792153723.db2.gz VRKLCZCLKWRJAZ-QWRGUYRKSA-N 0 2 337.380 -1.109 20 30 EAEDLN C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001099773608 792153720 /nfs/dbraw/zinc/15/37/20/792153720.db2.gz VRKLCZCLKWRJAZ-QWRGUYRKSA-N 0 2 337.380 -1.109 20 30 EAEDLN C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099773609 792153524 /nfs/dbraw/zinc/15/35/24/792153524.db2.gz VRKLCZCLKWRJAZ-WDEREUQCSA-N 0 2 337.380 -1.109 20 30 EAEDLN C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC001099773609 792153521 /nfs/dbraw/zinc/15/35/21/792153521.db2.gz VRKLCZCLKWRJAZ-WDEREUQCSA-N 0 2 337.380 -1.109 20 30 EAEDLN C#CCNC(=O)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099790222 792165452 /nfs/dbraw/zinc/16/54/52/792165452.db2.gz YVUFKPWQOXVNDE-NXEZZACHSA-N 0 2 336.352 -2.299 20 30 EAEDLN C#CCNC(=O)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099790223 792165438 /nfs/dbraw/zinc/16/54/38/792165438.db2.gz YVUFKPWQOXVNDE-UWVGGRQHSA-N 0 2 336.352 -2.299 20 30 EAEDLN C#CCNC(=O)CC(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O ZINC001099790224 792166098 /nfs/dbraw/zinc/16/60/98/792166098.db2.gz YVUFKPWQOXVNDE-VHSXEESVSA-N 0 2 336.352 -2.299 20 30 EAEDLN C#CCNC(=O)CC(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001099790225 792166498 /nfs/dbraw/zinc/16/64/98/792166498.db2.gz YVUFKPWQOXVNDE-ZJUUUORDSA-N 0 2 336.352 -2.299 20 30 EAEDLN C=CCOCC(=O)N1CC(n2cc(CNCc3n[nH]c(=O)[nH]3)nn2)C1 ZINC001105192523 785304971 /nfs/dbraw/zinc/30/49/71/785304971.db2.gz RXAYUDSNCCXNEA-UHFFFAOYSA-N 0 2 348.367 -1.023 20 30 EAEDLN C#CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001105276427 785325841 /nfs/dbraw/zinc/32/58/41/785325841.db2.gz HUGQEHJQNIYIGX-UHFFFAOYSA-N 0 2 330.308 -1.706 20 30 EAEDLN CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C2)nn1 ZINC001105276895 785324339 /nfs/dbraw/zinc/32/43/39/785324339.db2.gz XBFRXQBUHHKHOP-UHFFFAOYSA-N 0 2 344.335 -1.316 20 30 EAEDLN C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc([O-])n(C)c3=O)C2)nn1 ZINC001105297914 785331575 /nfs/dbraw/zinc/33/15/75/785331575.db2.gz XYLCNGALHSQECK-UHFFFAOYSA-N 0 2 343.347 -1.503 20 30 EAEDLN C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C2)nn1 ZINC001105367822 785433800 /nfs/dbraw/zinc/43/38/00/785433800.db2.gz BXVAIISQYWKCOJ-UHFFFAOYSA-N 0 2 334.340 -1.360 20 30 EAEDLN C=CCOCC(=O)NCc1cn(C2CN(Cc3n[nH]c(=O)[nH]3)C2)nn1 ZINC001107147329 786047803 /nfs/dbraw/zinc/04/78/03/786047803.db2.gz YLUGVQFIHWUWEH-UHFFFAOYSA-N 0 2 348.367 -1.023 20 30 EAEDLN C[C@H](C#N)C(=O)NCc1cn(C2CN(Cc3n[nH]c(=O)[nH]3)C2)nn1 ZINC001107149476 786048308 /nfs/dbraw/zinc/04/83/08/786048308.db2.gz GLECFFVZVIUDBY-MRVPVSSYSA-N 0 2 331.340 -1.065 20 30 EAEDLN C[C@@H](C#N)C(=O)NCc1cn(C2CN(Cc3n[nH]c(=O)[nH]3)C2)nn1 ZINC001107149477 786048064 /nfs/dbraw/zinc/04/80/64/786048064.db2.gz GLECFFVZVIUDBY-QMMMGPOBSA-N 0 2 331.340 -1.065 20 30 EAEDLN C#CCC[NH+]1CC(n2cc(CNC(=O)Cn3c(=O)[n-][nH]c3=O)nn2)C1 ZINC001107233287 786066794 /nfs/dbraw/zinc/06/67/94/786066794.db2.gz ILABECJRZUNQNG-UHFFFAOYSA-N 0 2 346.351 -1.523 20 30 EAEDLN C#CCN1CCO[C@@](C)(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001108284559 786468667 /nfs/dbraw/zinc/46/86/67/786468667.db2.gz WIKWLMSGXVYZNM-INIZCTEOSA-N 0 2 344.375 -1.089 20 30 EAEDLN C#CCN1CCO[C@](C)(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001108284560 786469099 /nfs/dbraw/zinc/46/90/99/786469099.db2.gz WIKWLMSGXVYZNM-MRXNPFEDSA-N 0 2 344.375 -1.089 20 30 EAEDLN C[C@]1(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CN(CC#N)CCO1 ZINC001108284739 786469208 /nfs/dbraw/zinc/46/92/08/786469208.db2.gz YSJNUJNBJMHXGM-HNNXBMFYSA-N 0 2 345.363 -1.198 20 30 EAEDLN C[C@@]1(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CN(CC#N)CCO1 ZINC001108284740 786468927 /nfs/dbraw/zinc/46/89/27/786468927.db2.gz YSJNUJNBJMHXGM-OAHLLOKOSA-N 0 2 345.363 -1.198 20 30 EAEDLN C[C@H](C#N)C(=O)N[C@H]1CC(=O)N(C2CN(Cc3n[nH]c(=O)[nH]3)C2)C1 ZINC001108527956 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