smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC([NH3+])(CC)CC)CC1=O ZINC000160433215 436872969 /nfs/dbraw/zinc/87/29/69/436872969.db2.gz NUAIFALZEIPJJR-LSDHHAIUSA-N 2 1 338.496 0.953 20 70 ECIDMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)C[NH+]1CCOCC1 ZINC000159957802 436867062 /nfs/dbraw/zinc/86/70/62/436867062.db2.gz CARZHZZHDZCPQU-HNNXBMFYSA-N 2 1 342.484 0.365 20 70 ECIDMP CNC(=O)CCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000159490525 277224965 /nfs/dbraw/zinc/22/49/65/277224965.db2.gz VYEPVYBZPTVSBW-MRXNPFEDSA-N 2 1 334.464 0.864 20 70 ECIDMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC([NH3+])(CC)CC)CC1=O ZINC000160432991 529102400 /nfs/dbraw/zinc/10/24/00/529102400.db2.gz NUAIFALZEIPJJR-GJZGRUSLSA-N 2 1 338.496 0.953 20 70 ECIDMP COC(=O)Cn1cc(CC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)nn1 ZINC000159967202 436865283 /nfs/dbraw/zinc/86/52/83/436865283.db2.gz LHTPLUFDDHUKKU-UHFFFAOYSA-N 2 1 346.435 0.682 20 70 ECIDMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)C[NH+]1CCOCC1 ZINC000159957940 436864834 /nfs/dbraw/zinc/86/48/34/436864834.db2.gz CARZHZZHDZCPQU-OAHLLOKOSA-N 2 1 342.484 0.365 20 70 ECIDMP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000160733625 436878323 /nfs/dbraw/zinc/87/83/23/436878323.db2.gz KYQWRXGLTHODFZ-ZWKOTPCHSA-N 2 1 349.523 0.892 20 70 ECIDMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000159910046 285320809 /nfs/dbraw/zinc/32/08/09/285320809.db2.gz WGIIFVMSNDEJFR-QGZVFWFLSA-N 2 1 339.528 0.997 20 70 ECIDMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000159910046 285320810 /nfs/dbraw/zinc/32/08/10/285320810.db2.gz WGIIFVMSNDEJFR-QGZVFWFLSA-N 2 1 339.528 0.997 20 70 ECIDMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000159910046 285320812 /nfs/dbraw/zinc/32/08/12/285320812.db2.gz WGIIFVMSNDEJFR-QGZVFWFLSA-N 2 1 339.528 0.997 20 70 ECIDMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 ZINC000160947261 545851265 /nfs/dbraw/zinc/85/12/65/545851265.db2.gz SFBHATHHJPNOTH-UHFFFAOYSA-N 2 1 332.448 0.866 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000159909735 279285484 /nfs/dbraw/zinc/28/54/84/279285484.db2.gz ROXWNBSMLHTFOL-MRXNPFEDSA-N 2 1 325.501 0.607 20 70 ECIDMP CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000159909735 279285485 /nfs/dbraw/zinc/28/54/85/279285485.db2.gz ROXWNBSMLHTFOL-MRXNPFEDSA-N 2 1 325.501 0.607 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000159909735 279285486 /nfs/dbraw/zinc/28/54/86/279285486.db2.gz ROXWNBSMLHTFOL-MRXNPFEDSA-N 2 1 325.501 0.607 20 70 ECIDMP CN(C)CC[NH+]1CCC(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000160426550 436871529 /nfs/dbraw/zinc/87/15/29/436871529.db2.gz UBKBWEGRUAYPBR-MRXNPFEDSA-N 2 1 342.553 0.814 20 70 ECIDMP C[NH+](C)CCN1CCC(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000160426550 436871533 /nfs/dbraw/zinc/87/15/33/436871533.db2.gz UBKBWEGRUAYPBR-MRXNPFEDSA-N 2 1 342.553 0.814 20 70 ECIDMP C[NH+](C)CCN1CCC(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000160426550 436871536 /nfs/dbraw/zinc/87/15/36/436871536.db2.gz UBKBWEGRUAYPBR-MRXNPFEDSA-N 2 1 342.553 0.814 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000159584978 436860519 /nfs/dbraw/zinc/86/05/19/436860519.db2.gz WMFOEVDXYVYSKO-QGZVFWFLSA-N 2 1 339.528 0.996 20 70 ECIDMP CC[N@@H+]1CCCN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000159584978 436860521 /nfs/dbraw/zinc/86/05/21/436860521.db2.gz WMFOEVDXYVYSKO-QGZVFWFLSA-N 2 1 339.528 0.996 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000159584978 436860523 /nfs/dbraw/zinc/86/05/23/436860523.db2.gz WMFOEVDXYVYSKO-QGZVFWFLSA-N 2 1 339.528 0.996 20 70 ECIDMP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000159622842 436861912 /nfs/dbraw/zinc/86/19/12/436861912.db2.gz FCKLSMFBEHRZEP-HIFRSBDPSA-N 2 1 332.452 0.314 20 70 ECIDMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000159622842 436861915 /nfs/dbraw/zinc/86/19/15/436861915.db2.gz FCKLSMFBEHRZEP-HIFRSBDPSA-N 2 1 332.452 0.314 20 70 ECIDMP CN(C)CC[NH+]1CCC(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000160426686 436873780 /nfs/dbraw/zinc/87/37/80/436873780.db2.gz UBKBWEGRUAYPBR-INIZCTEOSA-N 2 1 342.553 0.814 20 70 ECIDMP C[NH+](C)CCN1CCC(CNC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000160426686 436873782 /nfs/dbraw/zinc/87/37/82/436873782.db2.gz UBKBWEGRUAYPBR-INIZCTEOSA-N 2 1 342.553 0.814 20 70 ECIDMP C[NH+](C)CCN1CCC(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000160426686 436873787 /nfs/dbraw/zinc/87/37/87/436873787.db2.gz UBKBWEGRUAYPBR-INIZCTEOSA-N 2 1 342.553 0.814 20 70 ECIDMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000159554322 436860945 /nfs/dbraw/zinc/86/09/45/436860945.db2.gz OWKYVXPNRCWFGJ-CVEARBPZSA-N 2 1 342.484 0.365 20 70 ECIDMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000159554322 436860949 /nfs/dbraw/zinc/86/09/49/436860949.db2.gz OWKYVXPNRCWFGJ-CVEARBPZSA-N 2 1 342.484 0.365 20 70 ECIDMP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000160733388 436876706 /nfs/dbraw/zinc/87/67/06/436876706.db2.gz KYQWRXGLTHODFZ-QZTJIDSGSA-N 2 1 349.523 0.892 20 70 ECIDMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000161319162 545851058 /nfs/dbraw/zinc/85/10/58/545851058.db2.gz MHVWJEXFGCDKGP-INIZCTEOSA-N 2 1 331.464 0.756 20 70 ECIDMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000159554604 436861155 /nfs/dbraw/zinc/86/11/55/436861155.db2.gz OWKYVXPNRCWFGJ-HZPDHXFCSA-N 2 1 342.484 0.365 20 70 ECIDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000159554604 436861158 /nfs/dbraw/zinc/86/11/58/436861158.db2.gz OWKYVXPNRCWFGJ-HZPDHXFCSA-N 2 1 342.484 0.365 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000159909896 279285361 /nfs/dbraw/zinc/28/53/61/279285361.db2.gz ROXWNBSMLHTFOL-INIZCTEOSA-N 2 1 325.501 0.607 20 70 ECIDMP CC[N@@H+]1CCCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000159909896 279285364 /nfs/dbraw/zinc/28/53/64/279285364.db2.gz ROXWNBSMLHTFOL-INIZCTEOSA-N 2 1 325.501 0.607 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000159909896 279285366 /nfs/dbraw/zinc/28/53/66/279285366.db2.gz ROXWNBSMLHTFOL-INIZCTEOSA-N 2 1 325.501 0.607 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000159596950 279284691 /nfs/dbraw/zinc/28/46/91/279284691.db2.gz RHSVRBUKHJXYMB-UHFFFAOYSA-N 2 1 325.501 0.750 20 70 ECIDMP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000159596950 279284693 /nfs/dbraw/zinc/28/46/93/279284693.db2.gz RHSVRBUKHJXYMB-UHFFFAOYSA-N 2 1 325.501 0.750 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000159596950 279284696 /nfs/dbraw/zinc/28/46/96/279284696.db2.gz RHSVRBUKHJXYMB-UHFFFAOYSA-N 2 1 325.501 0.750 20 70 ECIDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@@H]2CCC[C@@H]2O)C1 ZINC000159725696 436864046 /nfs/dbraw/zinc/86/40/46/436864046.db2.gz ADHUEONIASSBRV-BBWFWOEESA-N 2 1 341.496 0.552 20 70 ECIDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)C1 ZINC000159725696 436864052 /nfs/dbraw/zinc/86/40/52/436864052.db2.gz ADHUEONIASSBRV-BBWFWOEESA-N 2 1 341.496 0.552 20 70 ECIDMP CCC(CC)(C[NH3+])C(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000161298630 528650721 /nfs/dbraw/zinc/65/07/21/528650721.db2.gz KOQACGVVQOJDFM-UHFFFAOYSA-N 2 1 334.468 0.956 20 70 ECIDMP CNC(=O)CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000159490374 277224958 /nfs/dbraw/zinc/22/49/58/277224958.db2.gz VYEPVYBZPTVSBW-INIZCTEOSA-N 2 1 334.464 0.864 20 70 ECIDMP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000159554178 436860864 /nfs/dbraw/zinc/86/08/64/436860864.db2.gz OWKYVXPNRCWFGJ-HOTGVXAUSA-N 2 1 342.484 0.365 20 70 ECIDMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000159554178 436860871 /nfs/dbraw/zinc/86/08/71/436860871.db2.gz OWKYVXPNRCWFGJ-HOTGVXAUSA-N 2 1 342.484 0.365 20 70 ECIDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000160608505 436875484 /nfs/dbraw/zinc/87/54/84/436875484.db2.gz JANXBIOVZZLAOX-BZSNNMDCSA-N 2 1 347.459 0.459 20 70 ECIDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000160608505 436875488 /nfs/dbraw/zinc/87/54/88/436875488.db2.gz JANXBIOVZZLAOX-BZSNNMDCSA-N 2 1 347.459 0.459 20 70 ECIDMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000160608505 436875490 /nfs/dbraw/zinc/87/54/90/436875490.db2.gz JANXBIOVZZLAOX-BZSNNMDCSA-N 2 1 347.459 0.459 20 70 ECIDMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000160608505 436875492 /nfs/dbraw/zinc/87/54/92/436875492.db2.gz JANXBIOVZZLAOX-BZSNNMDCSA-N 2 1 347.459 0.459 20 70 ECIDMP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000159623235 278377525 /nfs/dbraw/zinc/37/75/25/278377525.db2.gz FCKLSMFBEHRZEP-DZGCQCFKSA-N 2 1 332.452 0.314 20 70 ECIDMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000159623235 278377526 /nfs/dbraw/zinc/37/75/26/278377526.db2.gz FCKLSMFBEHRZEP-DZGCQCFKSA-N 2 1 332.452 0.314 20 70 ECIDMP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000160733750 436878456 /nfs/dbraw/zinc/87/84/56/436878456.db2.gz KYQWRXGLTHODFZ-ROUUACIJSA-N 2 1 349.523 0.892 20 70 ECIDMP CC[N@H+]1CC[C@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@H](C)C1 ZINC000160974939 436882254 /nfs/dbraw/zinc/88/22/54/436882254.db2.gz NJAXCSVTOCWUOY-CJNGLKHVSA-N 2 1 332.448 0.722 20 70 ECIDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)[C@H](C)C1 ZINC000160974939 436882259 /nfs/dbraw/zinc/88/22/59/436882259.db2.gz NJAXCSVTOCWUOY-CJNGLKHVSA-N 2 1 332.448 0.722 20 70 ECIDMP CC[N@H+]1CC[C@@H](NCc2ccc(C(=O)NCC(N)=O)cc2)[C@H](C)C1 ZINC000160975077 436882304 /nfs/dbraw/zinc/88/23/04/436882304.db2.gz NJAXCSVTOCWUOY-CZUORRHYSA-N 2 1 332.448 0.722 20 70 ECIDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)[C@H](C)C1 ZINC000160975077 436882311 /nfs/dbraw/zinc/88/23/11/436882311.db2.gz NJAXCSVTOCWUOY-CZUORRHYSA-N 2 1 332.448 0.722 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000159884563 436864724 /nfs/dbraw/zinc/86/47/24/436864724.db2.gz QBBGUBROXRAEKQ-HNNXBMFYSA-N 2 1 339.484 0.311 20 70 ECIDMP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000160733512 436878233 /nfs/dbraw/zinc/87/82/33/436878233.db2.gz KYQWRXGLTHODFZ-MSOLQXFVSA-N 2 1 349.523 0.892 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000159884397 436866129 /nfs/dbraw/zinc/86/61/29/436866129.db2.gz HNXRUWDLWBFGQY-UHFFFAOYSA-N 2 1 325.501 0.751 20 70 ECIDMP CC[N@@H+]1CCCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000159884397 436866133 /nfs/dbraw/zinc/86/61/33/436866133.db2.gz HNXRUWDLWBFGQY-UHFFFAOYSA-N 2 1 325.501 0.751 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000159884397 436866136 /nfs/dbraw/zinc/86/61/36/436866136.db2.gz HNXRUWDLWBFGQY-UHFFFAOYSA-N 2 1 325.501 0.751 20 70 ECIDMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC([NH3+])(CC)CC)CC1=O ZINC000160432911 529102809 /nfs/dbraw/zinc/10/28/09/529102809.db2.gz NUAIFALZEIPJJR-CABCVRRESA-N 2 1 338.496 0.953 20 70 ECIDMP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000159622974 278380893 /nfs/dbraw/zinc/38/08/93/278380893.db2.gz FCKLSMFBEHRZEP-ZFWWWQNUSA-N 2 1 332.452 0.314 20 70 ECIDMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000159622974 278380896 /nfs/dbraw/zinc/38/08/96/278380896.db2.gz FCKLSMFBEHRZEP-ZFWWWQNUSA-N 2 1 332.452 0.314 20 70 ECIDMP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000159842431 436864136 /nfs/dbraw/zinc/86/41/36/436864136.db2.gz KHWJOYNGANUZPQ-UHFFFAOYSA-N 2 1 339.484 0.276 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000159842431 436864140 /nfs/dbraw/zinc/86/41/40/436864140.db2.gz KHWJOYNGANUZPQ-UHFFFAOYSA-N 2 1 339.484 0.276 20 70 ECIDMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000159910187 436865004 /nfs/dbraw/zinc/86/50/04/436865004.db2.gz WGIIFVMSNDEJFR-KRWDZBQOSA-N 2 1 339.528 0.997 20 70 ECIDMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000159910187 436865009 /nfs/dbraw/zinc/86/50/09/436865009.db2.gz WGIIFVMSNDEJFR-KRWDZBQOSA-N 2 1 339.528 0.997 20 70 ECIDMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000159910187 436865014 /nfs/dbraw/zinc/86/50/14/436865014.db2.gz WGIIFVMSNDEJFR-KRWDZBQOSA-N 2 1 339.528 0.997 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000159584853 436860487 /nfs/dbraw/zinc/86/04/87/436860487.db2.gz WMFOEVDXYVYSKO-KRWDZBQOSA-N 2 1 339.528 0.996 20 70 ECIDMP CC[N@@H+]1CCCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000159584853 436860492 /nfs/dbraw/zinc/86/04/92/436860492.db2.gz WMFOEVDXYVYSKO-KRWDZBQOSA-N 2 1 339.528 0.996 20 70 ECIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000159584853 436860496 /nfs/dbraw/zinc/86/04/96/436860496.db2.gz WMFOEVDXYVYSKO-KRWDZBQOSA-N 2 1 339.528 0.996 20 70 ECIDMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000159554453 436861363 /nfs/dbraw/zinc/86/13/63/436861363.db2.gz OWKYVXPNRCWFGJ-JKSUJKDBSA-N 2 1 342.484 0.365 20 70 ECIDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000159554453 436861364 /nfs/dbraw/zinc/86/13/64/436861364.db2.gz OWKYVXPNRCWFGJ-JKSUJKDBSA-N 2 1 342.484 0.365 20 70 ECIDMP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000159623095 436859671 /nfs/dbraw/zinc/85/96/71/436859671.db2.gz FCKLSMFBEHRZEP-UKRRQHHQSA-N 2 1 332.452 0.314 20 70 ECIDMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000159623095 436859676 /nfs/dbraw/zinc/85/96/76/436859676.db2.gz FCKLSMFBEHRZEP-UKRRQHHQSA-N 2 1 332.452 0.314 20 70 ECIDMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC([NH3+])(CC)CC)CC1=O ZINC000160433109 436873565 /nfs/dbraw/zinc/87/35/65/436873565.db2.gz NUAIFALZEIPJJR-HUUCEWRRSA-N 2 1 338.496 0.953 20 70 ECIDMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000161319040 545851199 /nfs/dbraw/zinc/85/11/99/545851199.db2.gz MHVWJEXFGCDKGP-MRXNPFEDSA-N 2 1 331.464 0.756 20 70 ECIDMP