smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(C=NO)c1 ZINC001164829218 720465311 /nfs/dbraw/zinc/46/53/11/720465311.db2.gz DPQIAPKIBFYXHA-SFHVURJKSA-N 1 2 414.510 1.384 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3c(cc1C#N)CCC3)C2 ZINC001164831244 720470530 /nfs/dbraw/zinc/47/05/30/720470530.db2.gz NWRAOSMCFGKBJS-IBGZPJMESA-N 1 2 422.533 1.628 20 30 HDEDLO Cc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C#N ZINC001164917734 721783768 /nfs/dbraw/zinc/78/37/68/721783768.db2.gz YYGROUGAJRGMHC-HXUWFJFHSA-N 1 2 414.897 1.813 20 30 HDEDLO Cc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C#N ZINC001164917734 721783770 /nfs/dbraw/zinc/78/37/70/721783770.db2.gz YYGROUGAJRGMHC-HXUWFJFHSA-N 1 2 414.897 1.813 20 30 HDEDLO CC[C@H](C#N)Oc1cc(CNS(=O)(=O)CCC[NH+]2CCOCC2)ccc1OC ZINC000766048165 1074048208 /nfs/dbraw/zinc/04/82/08/1074048208.db2.gz ZSHZQTJORNEXEN-QGZVFWFLSA-N 1 2 411.524 1.518 20 30 HDEDLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CCN2C1=O ZINC000674502407 1074396609 /nfs/dbraw/zinc/39/66/09/1074396609.db2.gz VHUDMHSTNJUWSG-INIZCTEOSA-N 1 2 422.407 1.141 20 30 HDEDLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CCN2C1=O ZINC000674502407 1074396614 /nfs/dbraw/zinc/39/66/14/1074396614.db2.gz VHUDMHSTNJUWSG-INIZCTEOSA-N 1 2 422.407 1.141 20 30 HDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000589488680 1075388750 /nfs/dbraw/zinc/38/87/50/1075388750.db2.gz RJMPTGBMQFEDNF-QGZVFWFLSA-N 1 2 420.477 1.883 20 30 HDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000589488680 1075388755 /nfs/dbraw/zinc/38/87/55/1075388755.db2.gz RJMPTGBMQFEDNF-QGZVFWFLSA-N 1 2 420.477 1.883 20 30 HDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731685783 1075448133 /nfs/dbraw/zinc/44/81/33/1075448133.db2.gz BCXNQGGIJWRLFN-UHFFFAOYSA-N 1 2 422.551 1.225 20 30 HDEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000732233266 1075685488 /nfs/dbraw/zinc/68/54/88/1075685488.db2.gz AOBIJGRDRQDCCU-FOCLMDBBSA-N 1 2 404.496 1.777 20 30 HDEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428810080 1075718354 /nfs/dbraw/zinc/71/83/54/1075718354.db2.gz XHCOBOAANHWSBC-PBHICJAKSA-N 1 2 402.462 2.100 20 30 HDEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428810080 1075718357 /nfs/dbraw/zinc/71/83/57/1075718357.db2.gz XHCOBOAANHWSBC-PBHICJAKSA-N 1 2 402.462 2.100 20 30 HDEDLO COc1cc(C)[nH+]c(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C3CC3)c2=O)c1 ZINC000489020126 1075854840 /nfs/dbraw/zinc/85/48/40/1075854840.db2.gz WXWUKAXTFHYDDS-ZDUSSCGKSA-N 1 2 411.483 1.065 20 30 HDEDLO N#CCN1CCC(NC(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000611137601 1075858321 /nfs/dbraw/zinc/85/83/21/1075858321.db2.gz XSHBHMRVBNYTQP-UHFFFAOYSA-N 1 2 404.474 1.644 20 30 HDEDLO N#Cc1ccccc1/C=C\C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915309 1075911898 /nfs/dbraw/zinc/91/18/98/1075911898.db2.gz DIJORKCIHOLZMY-AQWUKCDYSA-N 1 2 418.501 1.983 20 30 HDEDLO N#Cc1ccccc1/C=C\C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915309 1075911903 /nfs/dbraw/zinc/91/19/03/1075911903.db2.gz DIJORKCIHOLZMY-AQWUKCDYSA-N 1 2 418.501 1.983 20 30 HDEDLO N#Cc1cccc(OCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC000732916041 1075913419 /nfs/dbraw/zinc/91/34/19/1075913419.db2.gz OUEREANOAUYWFN-GOSISDBHSA-N 1 2 422.489 1.349 20 30 HDEDLO N#Cc1cccc(OCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000732916041 1075913424 /nfs/dbraw/zinc/91/34/24/1075913424.db2.gz OUEREANOAUYWFN-GOSISDBHSA-N 1 2 422.489 1.349 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@](C)(CCC)NC(=O)OC(C)(C)C)CC1 ZINC000733149931 1075984261 /nfs/dbraw/zinc/98/42/61/1075984261.db2.gz YSEFOYOMJKXUIZ-NRFANRHFSA-N 1 2 408.543 1.354 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@](C)(CCC)NC(=O)OC(C)(C)C)CC1 ZINC000733149931 1075984267 /nfs/dbraw/zinc/98/42/67/1075984267.db2.gz YSEFOYOMJKXUIZ-NRFANRHFSA-N 1 2 408.543 1.354 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C3CC3)nc3onc(CCC)c32)CC1 ZINC000733149740 1075984822 /nfs/dbraw/zinc/98/48/22/1075984822.db2.gz PUKPKCSGITUHJJ-UHFFFAOYSA-N 1 2 423.517 1.950 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C3CC3)nc3onc(CCC)c32)CC1 ZINC000733149740 1075984826 /nfs/dbraw/zinc/98/48/26/1075984826.db2.gz PUKPKCSGITUHJJ-UHFFFAOYSA-N 1 2 423.517 1.950 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000733149281 1075985854 /nfs/dbraw/zinc/98/58/54/1075985854.db2.gz DKJFWTCRTKFREB-NRFANRHFSA-N 1 2 408.502 1.234 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000733149281 1075985857 /nfs/dbraw/zinc/98/58/57/1075985857.db2.gz DKJFWTCRTKFREB-NRFANRHFSA-N 1 2 408.502 1.234 20 30 HDEDLO CCOc1ccc(C[NH+]2CCN(C(=O)CCNC(=O)C3N=CC=CC3=O)CC2)cc1 ZINC000733887218 1076249887 /nfs/dbraw/zinc/24/98/87/1076249887.db2.gz RSKRIOVEWOWQNH-QURGRASLSA-N 1 2 412.490 1.646 20 30 HDEDLO CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733982314 1076282515 /nfs/dbraw/zinc/28/25/15/1076282515.db2.gz CYIOWGUUGLWKCB-INIZCTEOSA-N 1 2 401.492 1.564 20 30 HDEDLO CCn1cc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2CC(F)(F)F)cn1 ZINC000730143754 1076468390 /nfs/dbraw/zinc/46/83/90/1076468390.db2.gz DNQAQGGGAOMDSU-GFCCVEGCSA-N 1 2 420.461 1.465 20 30 HDEDLO CCn1cc(N=C2S[C@H](CC(=O)NCC[NH+](C)C)C(=O)N2CC(F)(F)F)cn1 ZINC000730143754 1076468400 /nfs/dbraw/zinc/46/84/00/1076468400.db2.gz DNQAQGGGAOMDSU-GFCCVEGCSA-N 1 2 420.461 1.465 20 30 HDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)c(Cl)c(C)c3C#N)CC2)C1=O ZINC001164633787 719268828 /nfs/dbraw/zinc/26/88/28/719268828.db2.gz HTHWNEVBGZNCBN-UHFFFAOYSA-N 1 2 405.930 1.983 20 30 HDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)c(Cl)c(C)c3C#N)CC2)C1=O ZINC001164633787 719268831 /nfs/dbraw/zinc/26/88/31/719268831.db2.gz HTHWNEVBGZNCBN-UHFFFAOYSA-N 1 2 405.930 1.983 20 30 HDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C#N)c(C#N)nc1Cl ZINC001164706397 719855016 /nfs/dbraw/zinc/85/50/16/719855016.db2.gz XCVQAJJSSWPREP-KPZWWZAWSA-N 1 2 404.858 1.106 20 30 HDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164708407 719906795 /nfs/dbraw/zinc/90/67/95/719906795.db2.gz COVGLIVRAKQPQT-UHFFFAOYSA-N 1 2 419.533 1.711 20 30 HDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164708980 719922401 /nfs/dbraw/zinc/92/24/01/719922401.db2.gz VWBUJDDBAMPVHP-UHFFFAOYSA-N 1 2 419.533 1.516 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(C#N)c1F)C2 ZINC001164824722 720451841 /nfs/dbraw/zinc/45/18/41/720451841.db2.gz PRPWBXDYCNQQMP-INIZCTEOSA-N 1 2 400.458 1.278 20 30 HDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000589488676 1075389299 /nfs/dbraw/zinc/38/92/99/1075389299.db2.gz RJMPTGBMQFEDNF-KRWDZBQOSA-N 1 2 420.477 1.883 20 30 HDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000589488676 1075389309 /nfs/dbraw/zinc/38/93/09/1075389309.db2.gz RJMPTGBMQFEDNF-KRWDZBQOSA-N 1 2 420.477 1.883 20 30 HDEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 ZINC000731649760 1075432713 /nfs/dbraw/zinc/43/27/13/1075432713.db2.gz ZCQTYEXWZQBMDC-LJQANCHMSA-N 1 2 404.536 1.152 20 30 HDEDLO N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(N)=O)cc3-n3cc[nH+]c3)CC2=O)cc1 ZINC001129216511 1075562272 /nfs/dbraw/zinc/56/22/72/1075562272.db2.gz NJNSOZHAUIRVDL-MRXNPFEDSA-N 1 2 414.425 1.834 20 30 HDEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nnnn1-c1ccccc1Br ZINC000535545141 1075661261 /nfs/dbraw/zinc/66/12/61/1075661261.db2.gz FQQDXJSTGDKJGO-UHFFFAOYSA-N 1 2 416.287 1.666 20 30 HDEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nnnn1-c1ccccc1Br ZINC000535545141 1075661264 /nfs/dbraw/zinc/66/12/64/1075661264.db2.gz FQQDXJSTGDKJGO-UHFFFAOYSA-N 1 2 416.287 1.666 20 30 HDEDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552356 1075963059 /nfs/dbraw/zinc/96/30/59/1075963059.db2.gz WLZWDVXUICZOFA-SZVBFZGTSA-N 1 2 401.486 1.120 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000733149815 1075984795 /nfs/dbraw/zinc/98/47/95/1075984795.db2.gz RZLCQCCBWZYQFR-AWEZNQCLSA-N 1 2 422.869 1.299 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000733149815 1075984798 /nfs/dbraw/zinc/98/47/98/1075984798.db2.gz RZLCQCCBWZYQFR-AWEZNQCLSA-N 1 2 422.869 1.299 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](NC(=O)CC(C)C)c2ccccc2)CC1 ZINC000733150796 1075985863 /nfs/dbraw/zinc/98/58/63/1075985863.db2.gz VQIVHBHGCMWDOK-JOCHJYFZSA-N 1 2 412.534 1.174 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](NC(=O)CC(C)C)c2ccccc2)CC1 ZINC000733150796 1075985864 /nfs/dbraw/zinc/98/58/64/1075985864.db2.gz VQIVHBHGCMWDOK-JOCHJYFZSA-N 1 2 412.534 1.174 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000733149278 1075985908 /nfs/dbraw/zinc/98/59/08/1075985908.db2.gz DHTIZZNTVUXKIL-UHFFFAOYSA-N 1 2 412.715 2.000 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2Cl)CC1 ZINC000733149278 1075985911 /nfs/dbraw/zinc/98/59/11/1075985911.db2.gz DHTIZZNTVUXKIL-UHFFFAOYSA-N 1 2 412.715 2.000 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000733150613 1075986257 /nfs/dbraw/zinc/98/62/57/1075986257.db2.gz QBLKCPVPLBHWCV-UHFFFAOYSA-N 1 2 417.307 1.828 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3c(cccc3Br)[nH]2)CC1 ZINC000733150613 1075986259 /nfs/dbraw/zinc/98/62/59/1075986259.db2.gz QBLKCPVPLBHWCV-UHFFFAOYSA-N 1 2 417.307 1.828 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000733150589 1075986656 /nfs/dbraw/zinc/98/66/56/1075986656.db2.gz OHFFFGSDWZUYOC-UHFFFAOYSA-N 1 2 417.469 1.643 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000733150589 1075986661 /nfs/dbraw/zinc/98/66/61/1075986661.db2.gz OHFFFGSDWZUYOC-UHFFFAOYSA-N 1 2 417.469 1.643 20 30 HDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000727439500 1076121839 /nfs/dbraw/zinc/12/18/39/1076121839.db2.gz NELGXIYVSOZSIJ-YLJYHZDGSA-N 1 2 419.485 1.937 20 30 HDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000727439500 1076121844 /nfs/dbraw/zinc/12/18/44/1076121844.db2.gz NELGXIYVSOZSIJ-YLJYHZDGSA-N 1 2 419.485 1.937 20 30 HDEDLO CCc1cccc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2CCOC)c1 ZINC000730139943 1076466512 /nfs/dbraw/zinc/46/65/12/1076466512.db2.gz STWSWOUMOBRLTJ-KRWDZBQOSA-N 1 2 406.552 1.895 20 30 HDEDLO CCc1cccc(N=C2S[C@@H](CC(=O)NCC[NH+](C)C)C(=O)N2CCOC)c1 ZINC000730139943 1076466523 /nfs/dbraw/zinc/46/65/23/1076466523.db2.gz STWSWOUMOBRLTJ-KRWDZBQOSA-N 1 2 406.552 1.895 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(C2CCCC2)C1=O ZINC000730145034 1076470097 /nfs/dbraw/zinc/47/00/97/1076470097.db2.gz VGDYQSQKNWMCRG-JQBIEYAESA-N 1 2 417.579 1.935 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)NC1=O ZINC000730271940 1076515981 /nfs/dbraw/zinc/51/59/81/1076515981.db2.gz NQXFIAWYJULUCP-LBPRGKRZSA-N 1 2 404.414 1.872 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)ncc1C#N)C2 ZINC001164825097 720434124 /nfs/dbraw/zinc/43/41/24/720434124.db2.gz PZSWLBNPRRUQNJ-MRXNPFEDSA-N 1 2 416.913 1.793 20 30 HDEDLO N#Cc1nc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912971 721773916 /nfs/dbraw/zinc/77/39/16/721773916.db2.gz SJJWDKSEEKVELM-LJQANCHMSA-N 1 2 400.870 1.504 20 30 HDEDLO N#Cc1nc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912971 721773917 /nfs/dbraw/zinc/77/39/17/721773917.db2.gz SJJWDKSEEKVELM-LJQANCHMSA-N 1 2 400.870 1.504 20 30 HDEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)nc1C ZINC000543542948 1074051415 /nfs/dbraw/zinc/05/14/15/1074051415.db2.gz QNUSDIDPVMODTA-HZPDHXFCSA-N 1 2 421.567 1.971 20 30 HDEDLO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nn1CCC#N ZINC000506837616 1074708361 /nfs/dbraw/zinc/70/83/61/1074708361.db2.gz LBYGSWUPJDGYBN-MRXNPFEDSA-N 1 2 409.494 1.983 20 30 HDEDLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000429360909 1075214984 /nfs/dbraw/zinc/21/49/84/1075214984.db2.gz IEWPYKHMBLZCSM-UHFFFAOYSA-N 1 2 416.503 1.425 20 30 HDEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000429360909 1075214988 /nfs/dbraw/zinc/21/49/88/1075214988.db2.gz IEWPYKHMBLZCSM-UHFFFAOYSA-N 1 2 416.503 1.425 20 30 HDEDLO CSc1nc(C2CC2)cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1C#N ZINC000731651182 1075433495 /nfs/dbraw/zinc/43/34/95/1075433495.db2.gz WVZFQHMJHACJBY-UHFFFAOYSA-N 1 2 422.576 1.791 20 30 HDEDLO C=C(C)COc1cccc(NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731764933 1075519240 /nfs/dbraw/zinc/51/92/40/1075519240.db2.gz KMWMXFVZIZDDHD-UHFFFAOYSA-N 1 2 423.535 1.205 20 30 HDEDLO 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/nfs/dbraw/zinc/95/65/10/1075956510.db2.gz CQHSFZZCXZYZDN-JKSUJKDBSA-N 1 2 414.325 1.540 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000733149332 1075985460 /nfs/dbraw/zinc/98/54/60/1075985460.db2.gz FWUZJYMYOFUSFS-UHFFFAOYSA-N 1 2 407.518 1.315 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000733149332 1075985461 /nfs/dbraw/zinc/98/54/61/1075985461.db2.gz FWUZJYMYOFUSFS-UHFFFAOYSA-N 1 2 407.518 1.315 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000733150143 1075986960 /nfs/dbraw/zinc/98/69/60/1075986960.db2.gz CIXCBYHADALGCL-UHFFFAOYSA-N 1 2 412.715 2.000 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2Br)CC1 ZINC000733150143 1075986964 /nfs/dbraw/zinc/98/69/64/1075986964.db2.gz CIXCBYHADALGCL-UHFFFAOYSA-N 1 2 412.715 2.000 20 30 HDEDLO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065703458 1076256581 /nfs/dbraw/zinc/25/65/81/1076256581.db2.gz 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ZINC000730713715 1076642682 /nfs/dbraw/zinc/64/26/82/1076642682.db2.gz PTXXCBZOPWPZCR-MRXNPFEDSA-N 1 2 401.492 1.874 20 30 HDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000731030511 1076708865 /nfs/dbraw/zinc/70/88/65/1076708865.db2.gz IXKGHZQOVXQIDZ-HNNXBMFYSA-N 1 2 404.536 1.840 20 30 HDEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc(C#N)c(C#N)n4)CC3)C2=O)cs1 ZINC001164820356 720381634 /nfs/dbraw/zinc/38/16/34/720381634.db2.gz OEPVHLPSDIIJBU-UHFFFAOYSA-N 1 2 422.518 1.298 20 30 HDEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc(C#N)c(C#N)n4)CC3)C2=O)cs1 ZINC001164820356 720381640 /nfs/dbraw/zinc/38/16/40/720381640.db2.gz OEPVHLPSDIIJBU-UHFFFAOYSA-N 1 2 422.518 1.298 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)cc1C#N)C2 ZINC001164824113 720440337 /nfs/dbraw/zinc/44/03/37/720440337.db2.gz MHFHNWLKKGWVPP-OAHLLOKOSA-N 1 2 417.901 1.188 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(F)c1C#N)C2 ZINC001164832248 720458738 /nfs/dbraw/zinc/45/87/38/720458738.db2.gz 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CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCSCc2ccccc2C#N)CC1 ZINC000731680797 1075464667 /nfs/dbraw/zinc/46/46/67/1075464667.db2.gz XLPICOMGPHQGEU-UHFFFAOYSA-N 1 2 424.592 1.600 20 30 HDEDLO C[C@@H](c1cccc(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1)[NH+]1CCOCC1 ZINC000439635286 1075599799 /nfs/dbraw/zinc/59/97/99/1075599799.db2.gz QXBLCLVVDHZACY-HNNXBMFYSA-N 1 2 424.505 2.480 20 30 HDEDLO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC(n4cc[nH+]c4)CC3)n2)c(F)c1 ZINC000541144668 1075794082 /nfs/dbraw/zinc/79/40/82/1075794082.db2.gz VTFCZNJCPLIXNK-UHFFFAOYSA-N 1 2 407.409 1.882 20 30 HDEDLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1)[NH+]1CCOCC1 ZINC000732707234 1075840022 /nfs/dbraw/zinc/84/00/22/1075840022.db2.gz VWNVWPMSSSGOSS-OXQOHEQNSA-N 1 2 411.506 1.217 20 30 HDEDLO Cc1cc(NC(=O)C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)nn1CCC#N ZINC000611248304 1075886491 /nfs/dbraw/zinc/88/64/91/1075886491.db2.gz OUGNJTOKWCHQAG-QGZVFWFLSA-N 1 2 405.462 1.877 20 30 HDEDLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553115 1075963111 /nfs/dbraw/zinc/96/31/11/1075963111.db2.gz RHBGFTMTVJYQKF-BEFAXECRSA-N 1 2 401.486 1.120 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)CC1 ZINC000733149929 1075984369 /nfs/dbraw/zinc/98/43/69/1075984369.db2.gz YQRTYRSOCVZFAX-QGZVFWFLSA-N 1 2 410.522 1.608 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)nc3c2cnn3[C@H](C)CC)CC1 ZINC000733149929 1075984375 /nfs/dbraw/zinc/98/43/75/1075984375.db2.gz YQRTYRSOCVZFAX-QGZVFWFLSA-N 1 2 410.522 1.608 20 30 HDEDLO Cn1cc(N2CC[C@H](O[NH+]=C(N)c3ccc(OCc4cccnc4)cc3)C2=O)cn1 ZINC000733305396 1076034299 /nfs/dbraw/zinc/03/42/99/1076034299.db2.gz CBNDHCPHTBBNGV-IBGZPJMESA-N 1 2 406.446 1.837 20 30 HDEDLO C#CCNC(=O)C1CC[NH+](CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)CC1 ZINC000727422869 1076126830 /nfs/dbraw/zinc/12/68/30/1076126830.db2.gz YQQZTORLJFTZAG-GOSISDBHSA-N 1 2 408.911 1.587 20 30 HDEDLO 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ZINC000731186252 1076741767 /nfs/dbraw/zinc/74/17/67/1076741767.db2.gz LPULUJRHNVCFKZ-QGZVFWFLSA-N 1 2 403.508 1.838 20 30 HDEDLO C#CCN(CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000731213699 1076747744 /nfs/dbraw/zinc/74/77/44/1076747744.db2.gz OJGILJFAXWVIQX-OAQYLSRUSA-N 1 2 417.575 1.152 20 30 HDEDLO C#CCN(CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000731213699 1076747750 /nfs/dbraw/zinc/74/77/50/1076747750.db2.gz OJGILJFAXWVIQX-OAQYLSRUSA-N 1 2 417.575 1.152 20 30 HDEDLO Cc1cc(C#N)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1C ZINC001164822332 720446154 /nfs/dbraw/zinc/44/61/54/720446154.db2.gz CUSAONGSYJUHNI-IBGZPJMESA-N 1 2 410.522 1.756 20 30 HDEDLO C=CCNC(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945133 721978128 /nfs/dbraw/zinc/97/81/28/721978128.db2.gz DKKSNRSDXMCVHH-UHFFFAOYSA-N 1 2 419.529 1.968 20 30 HDEDLO C=CCNC(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945133 721978134 /nfs/dbraw/zinc/97/81/34/721978134.db2.gz DKKSNRSDXMCVHH-UHFFFAOYSA-N 1 2 419.529 1.968 20 30 HDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCS(=O)(=O)NCC2CCC2)CC1=O ZINC000731689680 1075473069 /nfs/dbraw/zinc/47/30/69/1075473069.db2.gz OQWXHXJBORZENV-UHFFFAOYSA-N 1 2 417.535 1.366 20 30 HDEDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1 ZINC000731905218 1075564277 /nfs/dbraw/zinc/56/42/77/1075564277.db2.gz WVIFBEGTLRIOER-UHFFFAOYSA-N 1 2 416.503 1.545 20 30 HDEDLO C=CCNc1ncc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000473924382 1075701115 /nfs/dbraw/zinc/70/11/15/1075701115.db2.gz UTUHDTKZEAQRPD-UHFFFAOYSA-N 1 2 400.508 1.605 20 30 HDEDLO C[C@@H](c1cccc(NC(=O)NCCNC(=O)C2N=CC=CC2=O)c1)[NH+]1CCOCC1 ZINC000732434230 1075744161 /nfs/dbraw/zinc/74/41/61/1075744161.db2.gz ZUGQLOZKBFLPJC-CVTQAYBASA-N 1 2 413.478 1.728 20 30 HDEDLO O=C(NCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1N=CC=CC1=O ZINC000732466829 1075754697 /nfs/dbraw/zinc/75/46/97/1075754697.db2.gz RNQSVFGHNMCSSC-OFLYFWPXSA-N 1 2 409.490 1.553 20 30 HDEDLO Cc1cc(NC(=O)C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)nn1CCC#N ZINC000611248303 1075886504 /nfs/dbraw/zinc/88/65/04/1075886504.db2.gz OUGNJTOKWCHQAG-KRWDZBQOSA-N 1 2 405.462 1.877 20 30 HDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1C(F)(F)F ZINC000611540796 1075954840 /nfs/dbraw/zinc/95/48/40/1075954840.db2.gz YOIMCXLAKBIEFW-HOTGVXAUSA-N 1 2 403.426 1.797 20 30 HDEDLO COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000611551393 1075962421 /nfs/dbraw/zinc/96/24/21/1075962421.db2.gz LHNNADUYNXJGJK-OXQOHEQNSA-N 1 2 416.497 1.808 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCOc2ccc(CCC(C)=O)cc2)CC1 ZINC000733148482 1075983966 /nfs/dbraw/zinc/98/39/66/1075983966.db2.gz AEDJLXQAZDWFMO-UHFFFAOYSA-N 1 2 413.518 1.261 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCOc2ccc(CCC(C)=O)cc2)CC1 ZINC000733148482 1075983972 /nfs/dbraw/zinc/98/39/72/1075983972.db2.gz AEDJLXQAZDWFMO-UHFFFAOYSA-N 1 2 413.518 1.261 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 ZINC000733149584 1075984731 /nfs/dbraw/zinc/98/47/31/1075984731.db2.gz LVQLGQUWZBZGQY-LJQANCHMSA-N 1 2 413.518 1.259 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 ZINC000733149584 1075984732 /nfs/dbraw/zinc/98/47/32/1075984732.db2.gz LVQLGQUWZBZGQY-LJQANCHMSA-N 1 2 413.518 1.259 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 ZINC000733149521 1075985127 /nfs/dbraw/zinc/98/51/27/1075985127.db2.gz ILASIAXWXSXJFV-UHFFFAOYSA-N 1 2 417.513 1.863 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 ZINC000733149521 1075985130 /nfs/dbraw/zinc/98/51/30/1075985130.db2.gz ILASIAXWXSXJFV-UHFFFAOYSA-N 1 2 417.513 1.863 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000733149327 1075985511 /nfs/dbraw/zinc/98/55/11/1075985511.db2.gz FVBGMMZUFTUICU-UHFFFAOYSA-N 1 2 401.507 1.627 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000733149327 1075985515 /nfs/dbraw/zinc/98/55/15/1075985515.db2.gz FVBGMMZUFTUICU-UHFFFAOYSA-N 1 2 401.507 1.627 20 30 HDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000727439497 1076121759 /nfs/dbraw/zinc/12/17/59/1076121759.db2.gz NELGXIYVSOZSIJ-FXAWDEMLSA-N 1 2 419.485 1.937 20 30 HDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000727439497 1076121763 /nfs/dbraw/zinc/12/17/63/1076121763.db2.gz NELGXIYVSOZSIJ-FXAWDEMLSA-N 1 2 419.485 1.937 20 30 HDEDLO CCS(=O)(=O)C=C(C)NNc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c[nH+]1 ZINC000733745838 1076196809 /nfs/dbraw/zinc/19/68/09/1076196809.db2.gz BRAUTDUAKJFDTC-KBPBESRZSA-N 1 2 416.569 1.971 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2[nH]c1=S ZINC000730082846 1076430843 /nfs/dbraw/zinc/43/08/43/1076430843.db2.gz JIUMSPYEKRIXOR-UHFFFAOYSA-N 1 2 402.520 1.400 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C2CCCC2)C1=O ZINC000730145035 1076470006 /nfs/dbraw/zinc/47/00/06/1076470006.db2.gz VGDYQSQKNWMCRG-QAYQYMSWSA-N 1 2 417.579 1.935 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C2CCC2)C1=O ZINC000730463406 1076579416 /nfs/dbraw/zinc/57/94/16/1076579416.db2.gz WYCSNUBPSBXQTI-DVCONVQISA-N 1 2 403.552 1.545 20 30 HDEDLO N#Cc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nc1 ZINC000730892108 1076686635 /nfs/dbraw/zinc/68/66/35/1076686635.db2.gz HLXXLFDIAQMBHO-UHFFFAOYSA-N 1 2 406.442 1.389 20 30 HDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C#N)c(C#N)nc1Cl ZINC001164706398 719855088 /nfs/dbraw/zinc/85/50/88/719855088.db2.gz XCVQAJJSSWPREP-KZULUSFZSA-N 1 2 404.858 1.106 20 30 HDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C#N)c(C#N)nc1Cl ZINC001164706400 719855098 /nfs/dbraw/zinc/85/50/98/719855098.db2.gz XCVQAJJSSWPREP-XIKOKIGWSA-N 1 2 404.858 1.106 20 30 HDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)c(C#N)cc1C#N)CC2 ZINC001164709209 719907676 /nfs/dbraw/zinc/90/76/76/719907676.db2.gz QODSAELOYPCAPZ-UHFFFAOYSA-N 1 2 424.896 1.162 20 30 HDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C#N)c3ccccc3n1)CC2 ZINC001164709055 719922433 /nfs/dbraw/zinc/92/24/33/719922433.db2.gz XCCCGHINIYLQPR-UHFFFAOYSA-N 1 2 415.501 1.790 20 30 HDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164709138 719931720 /nfs/dbraw/zinc/93/17/20/719931720.db2.gz ZGRYXJUAXFCSLH-UHFFFAOYSA-N 1 2 413.913 1.485 20 30 HDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(Cl)c3C#N)C2)C1 ZINC001164725496 720304410 /nfs/dbraw/zinc/30/44/10/720304410.db2.gz WHHVBCKCQBEZOL-GOSISDBHSA-N 1 2 412.321 1.925 20 30 HDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(Cl)c3C#N)C2)C1 ZINC001164725496 720304414 /nfs/dbraw/zinc/30/44/14/720304414.db2.gz WHHVBCKCQBEZOL-GOSISDBHSA-N 1 2 412.321 1.925 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3[nH]cc(C#N)c31)C2 ZINC001164822515 720429078 /nfs/dbraw/zinc/42/90/78/720429078.db2.gz CYFCHTCMWXFRQU-INIZCTEOSA-N 1 2 422.493 1.016 20 30 HDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000461310453 1075388987 /nfs/dbraw/zinc/38/89/87/1075388987.db2.gz FUAVWNANSJLFGL-IBGZPJMESA-N 1 2 402.458 2.287 20 30 HDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000461310453 1075388992 /nfs/dbraw/zinc/38/89/92/1075388992.db2.gz FUAVWNANSJLFGL-IBGZPJMESA-N 1 2 402.458 2.287 20 30 HDEDLO N#C[C@@H](C(=O)CN1CCCC[C@H]1C[NH+]1CCOCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000732210678 1075667207 /nfs/dbraw/zinc/66/72/07/1075667207.db2.gz CQNPVJVWXDDSCC-WMZOPIPTSA-N 1 2 409.490 1.698 20 30 HDEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000732466607 1075754625 /nfs/dbraw/zinc/75/46/25/1075754625.db2.gz PVYHYFUDLDBYKH-VXPUYCOJSA-N 1 2 413.478 1.049 20 30 HDEDLO N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000611073720 1075825077 /nfs/dbraw/zinc/82/50/77/1075825077.db2.gz ULAGONRVSQPCDJ-INIZCTEOSA-N 1 2 407.478 1.929 20 30 HDEDLO N#CCc1ccc(OC[C@H](O)C[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000611173463 1075867501 /nfs/dbraw/zinc/86/75/01/1075867501.db2.gz MGHQPPRXXCLAEA-NLWGTHIKSA-N 1 2 408.520 1.160 20 30 HDEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000611173463 1075867503 /nfs/dbraw/zinc/86/75/03/1075867503.db2.gz MGHQPPRXXCLAEA-NLWGTHIKSA-N 1 2 408.520 1.160 20 30 HDEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC000611180353 1075868931 /nfs/dbraw/zinc/86/89/31/1075868931.db2.gz FIVCQFJJRJMLBO-UHFFFAOYSA-N 1 2 424.473 1.122 20 30 HDEDLO N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915311 1075911817 /nfs/dbraw/zinc/91/18/17/1075911817.db2.gz DIJORKCIHOLZMY-WHXUGTBJSA-N 1 2 418.501 1.983 20 30 HDEDLO N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915311 1075911819 /nfs/dbraw/zinc/91/18/19/1075911819.db2.gz DIJORKCIHOLZMY-WHXUGTBJSA-N 1 2 418.501 1.983 20 30 HDEDLO CC(C)(CNC(=O)CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[NH+]1CCOCC1 ZINC000611550987 1075962756 /nfs/dbraw/zinc/96/27/56/1075962756.db2.gz LSMZNYINBBLOSP-FQEVSTJZSA-N 1 2 417.529 1.235 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2ccccc2C(F)(F)F)CC1 ZINC000733148945 1075983584 /nfs/dbraw/zinc/98/35/84/1075983584.db2.gz QIGVVJNXTWSWDO-HNNXBMFYSA-N 1 2 411.424 1.756 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccccc2C(F)(F)F)CC1 ZINC000733148945 1075983587 /nfs/dbraw/zinc/98/35/87/1075983587.db2.gz QIGVVJNXTWSWDO-HNNXBMFYSA-N 1 2 411.424 1.756 20 30 HDEDLO CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733984461 1076283293 /nfs/dbraw/zinc/28/32/93/1076283293.db2.gz YGQPUZSTMLAZOG-MRXNPFEDSA-N 1 2 401.492 1.420 20 30 HDEDLO C#CCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000731124718 1076727585 /nfs/dbraw/zinc/72/75/85/1076727585.db2.gz LPNHBSBGAXCJAI-UHFFFAOYSA-N 1 2 424.476 1.715 20 30 HDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccncc4)ccc3C#N)C2)C1 ZINC001164721502 720279980 /nfs/dbraw/zinc/27/99/80/720279980.db2.gz KDPDXKSULQAGPX-QHCPKHFHSA-N 1 2 420.517 1.680 20 30 HDEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccncc4)ccc3C#N)C2)C1 ZINC001164721502 720279997 /nfs/dbraw/zinc/27/99/97/720279997.db2.gz KDPDXKSULQAGPX-QHCPKHFHSA-N 1 2 420.517 1.680 20 30 HDEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(CC#N)n4)CC3)C2=O)cs1 ZINC001164821075 720377321 /nfs/dbraw/zinc/37/73/21/720377321.db2.gz WLNGABUBFBEMQB-UHFFFAOYSA-N 1 2 411.535 1.621 20 30 HDEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(CC#N)n4)CC3)C2=O)cs1 ZINC001164821075 720377327 /nfs/dbraw/zinc/37/73/27/720377327.db2.gz WLNGABUBFBEMQB-UHFFFAOYSA-N 1 2 411.535 1.621 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(Cl)c(C#N)n1)C2 ZINC001164824606 720434818 /nfs/dbraw/zinc/43/48/18/720434818.db2.gz ODCFHHHEQHELRT-HNNXBMFYSA-N 1 2 416.913 1.793 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cnc1C#N)C2 ZINC001164822787 720438991 /nfs/dbraw/zinc/43/89/91/720438991.db2.gz HTNPMTKDVYHJNZ-CQSZACIVSA-N 1 2 417.901 1.188 20 30 HDEDLO N#Cc1ncc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911982 721774464 /nfs/dbraw/zinc/77/44/64/721774464.db2.gz JAFIQHANAWOZRT-LJQANCHMSA-N 1 2 400.870 1.504 20 30 HDEDLO N#Cc1ncc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911982 721774466 /nfs/dbraw/zinc/77/44/66/721774466.db2.gz JAFIQHANAWOZRT-LJQANCHMSA-N 1 2 400.870 1.504 20 30 HDEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000674368751 1074298434 /nfs/dbraw/zinc/29/84/34/1074298434.db2.gz URTFRMKKNOZEOH-GOSISDBHSA-N 1 2 400.479 1.202 20 30 HDEDLO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1CCC#N ZINC000504871051 1074778384 /nfs/dbraw/zinc/77/83/84/1074778384.db2.gz RAPZTCGCOKTCOM-WMZOPIPTSA-N 1 2 416.432 1.884 20 30 HDEDLO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1CCC#N ZINC000504871051 1074778393 /nfs/dbraw/zinc/77/83/93/1074778393.db2.gz RAPZTCGCOKTCOM-WMZOPIPTSA-N 1 2 416.432 1.884 20 30 HDEDLO Cc1nc(SCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C#N)c(C)c1C ZINC000731650298 1075432304 /nfs/dbraw/zinc/43/23/04/1075432304.db2.gz ALYIBBQTXPRBPV-UHFFFAOYSA-N 1 2 424.592 1.596 20 30 HDEDLO O=C(NCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1N=CC=CC1=O ZINC000732466828 1075754762 /nfs/dbraw/zinc/75/47/62/1075754762.db2.gz RNQSVFGHNMCSSC-HCXCTPFWSA-N 1 2 409.490 1.553 20 30 HDEDLO CC(=CS(C)(=O)=O)NNc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c[nH+]1 ZINC000732527645 1075780854 /nfs/dbraw/zinc/78/08/54/1075780854.db2.gz DMZIIMVFRYADJS-CHWSQXEVSA-N 1 2 402.542 1.581 20 30 HDEDLO N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCNc3cccc[nH+]3)n2)c(Cl)c1 ZINC000543943551 1075795194 /nfs/dbraw/zinc/79/51/94/1075795194.db2.gz ZOIFLADFDBXFIW-UHFFFAOYSA-N 1 2 409.837 1.959 20 30 HDEDLO N#C[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCN1C1CC1 ZINC000732676569 1075830618 /nfs/dbraw/zinc/83/06/18/1075830618.db2.gz KNPSCOOQWIODKY-HXUWFJFHSA-N 1 2 410.522 1.471 20 30 HDEDLO 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/nfs/dbraw/zinc/02/02/69/1076020269.db2.gz MQCXMMVEQUHZEX-WQNFENHCSA-N 1 2 400.906 1.930 20 30 HDEDLO C#CCN(CC)C(=O)NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000728135059 1076340065 /nfs/dbraw/zinc/34/00/65/1076340065.db2.gz UXALTSWBOVPYCB-UHFFFAOYSA-N 1 2 400.523 1.437 20 30 HDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000730096038 1076450130 /nfs/dbraw/zinc/45/01/30/1076450130.db2.gz ZEVNUPBTPUOFFZ-KRWDZBQOSA-N 1 2 405.520 1.906 20 30 HDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000730096038 1076450134 /nfs/dbraw/zinc/45/01/34/1076450134.db2.gz ZEVNUPBTPUOFFZ-KRWDZBQOSA-N 1 2 405.520 1.906 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(C2CCC2)C1=O ZINC000730463408 1076579271 /nfs/dbraw/zinc/57/92/71/1076579271.db2.gz WYCSNUBPSBXQTI-HLGQQVFSSA-N 1 2 403.552 1.545 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3[nH]cc(C#N)c31)C2 ZINC001164822516 720429378 /nfs/dbraw/zinc/42/93/78/720429378.db2.gz CYFCHTCMWXFRQU-MRXNPFEDSA-N 1 2 422.493 1.016 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1C#N)C2 ZINC001164827078 720438983 /nfs/dbraw/zinc/43/89/83/720438983.db2.gz YYIUGBMDIHATEC-HNNXBMFYSA-N 1 2 417.901 1.188 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)cc1C#N)C2 ZINC001164824112 720440974 /nfs/dbraw/zinc/44/09/74/720440974.db2.gz MHFHNWLKKGWVPP-HNNXBMFYSA-N 1 2 417.901 1.188 20 30 HDEDLO N#Cc1cc(Cl)nnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912785 721775275 /nfs/dbraw/zinc/77/52/75/721775275.db2.gz PVZGXPXMMBQRHD-IBGZPJMESA-N 1 2 400.870 1.504 20 30 HDEDLO N#Cc1cc(Cl)nnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912785 721775279 /nfs/dbraw/zinc/77/52/79/721775279.db2.gz PVZGXPXMMBQRHD-IBGZPJMESA-N 1 2 400.870 1.504 20 30 HDEDLO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nn1CCC#N ZINC000504530357 1074705314 /nfs/dbraw/zinc/70/53/14/1074705314.db2.gz SMHOEFBMEWZIHG-UHFFFAOYSA-N 1 2 412.469 1.917 20 30 HDEDLO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nn1CCC#N ZINC000504530357 1074705327 /nfs/dbraw/zinc/70/53/27/1074705327.db2.gz SMHOEFBMEWZIHG-UHFFFAOYSA-N 1 2 412.469 1.917 20 30 HDEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000609428274 1075288418 /nfs/dbraw/zinc/28/84/18/1075288418.db2.gz LRGUNUJDBUNQST-UHFFFAOYSA-N 1 2 413.478 1.893 20 30 HDEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000731539711 1075384232 /nfs/dbraw/zinc/38/42/32/1075384232.db2.gz FXFSSLPMBSOQTD-UZYVYHOESA-N 1 2 423.539 1.295 20 30 HDEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000435247824 1075780548 /nfs/dbraw/zinc/78/05/48/1075780548.db2.gz MCGWLLYTGOPRJM-OAHLLOKOSA-N 1 2 420.404 1.896 20 30 HDEDLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553117 1075963041 /nfs/dbraw/zinc/96/30/41/1075963041.db2.gz RHBGFTMTVJYQKF-HNAYVOBHSA-N 1 2 401.486 1.120 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000733148592 1075983556 /nfs/dbraw/zinc/98/35/56/1075983556.db2.gz DJFNTVFPZHOXTN-UHFFFAOYSA-N 1 2 405.502 1.647 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000733148592 1075983559 /nfs/dbraw/zinc/98/35/59/1075983559.db2.gz DJFNTVFPZHOXTN-UHFFFAOYSA-N 1 2 405.502 1.647 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2OCc2ccncc2)CC1 ZINC000733148979 1075983595 /nfs/dbraw/zinc/98/35/95/1075983595.db2.gz RYSIDYGYCRQDBB-UHFFFAOYSA-N 1 2 406.486 1.558 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2OCc2ccncc2)CC1 ZINC000733148979 1075983597 /nfs/dbraw/zinc/98/35/97/1075983597.db2.gz RYSIDYGYCRQDBB-UHFFFAOYSA-N 1 2 406.486 1.558 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000733149816 1075984755 /nfs/dbraw/zinc/98/47/55/1075984755.db2.gz RZLCQCCBWZYQFR-CQSZACIVSA-N 1 2 422.869 1.299 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000733149816 1075984758 /nfs/dbraw/zinc/98/47/58/1075984758.db2.gz RZLCQCCBWZYQFR-CQSZACIVSA-N 1 2 422.869 1.299 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000733149149 1075985563 /nfs/dbraw/zinc/98/55/63/1075985563.db2.gz ZKSGMYLHKFLMTB-UHFFFAOYSA-N 1 2 412.353 1.727 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000733149149 1075985565 /nfs/dbraw/zinc/98/55/65/1075985565.db2.gz ZKSGMYLHKFLMTB-UHFFFAOYSA-N 1 2 412.353 1.727 20 30 HDEDLO CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCn1cc[nH+]c1 ZINC000733166275 1075998515 /nfs/dbraw/zinc/99/85/15/1075998515.db2.gz NPVBCZRMRFRNFL-KRWDZBQOSA-N 1 2 417.535 1.933 20 30 HDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000727439498 1076121664 /nfs/dbraw/zinc/12/16/64/1076121664.db2.gz NELGXIYVSOZSIJ-PXNSSMCTSA-N 1 2 419.485 1.937 20 30 HDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000727439498 1076121668 /nfs/dbraw/zinc/12/16/68/1076121668.db2.gz NELGXIYVSOZSIJ-PXNSSMCTSA-N 1 2 419.485 1.937 20 30 HDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000727439499 1076121891 /nfs/dbraw/zinc/12/18/91/1076121891.db2.gz NELGXIYVSOZSIJ-XLIONFOSSA-N 1 2 419.485 1.937 20 30 HDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000727439499 1076121897 /nfs/dbraw/zinc/12/18/97/1076121897.db2.gz NELGXIYVSOZSIJ-XLIONFOSSA-N 1 2 419.485 1.937 20 30 HDEDLO CCS(=O)(=O)C=C(C)NNc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c[nH+]1 ZINC000733745840 1076196577 /nfs/dbraw/zinc/19/65/77/1076196577.db2.gz BRAUTDUAKJFDTC-ZIAGYGMSSA-N 1 2 416.569 1.971 20 30 HDEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+](CCc2cccc(F)c2)C2CC2)c1=O ZINC000733788581 1076206585 /nfs/dbraw/zinc/20/65/85/1076206585.db2.gz BOBFHJBEEZMLPJ-UHFFFAOYSA-N 1 2 400.454 1.347 20 30 HDEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+](CCc2cccc(F)c2)C2CC2)c1=O ZINC000733788581 1076206591 /nfs/dbraw/zinc/20/65/91/1076206591.db2.gz BOBFHJBEEZMLPJ-UHFFFAOYSA-N 1 2 400.454 1.347 20 30 HDEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCCC[C@H]2c2ccccc2OC)c1=O ZINC000729988250 1076408832 /nfs/dbraw/zinc/40/88/32/1076408832.db2.gz FWTOGLVHIMUARA-SFHVURJKSA-N 1 2 412.490 1.737 20 30 HDEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCCC[C@H]2c2ccccc2OC)c1=O ZINC000729988250 1076408835 /nfs/dbraw/zinc/40/88/35/1076408835.db2.gz FWTOGLVHIMUARA-SFHVURJKSA-N 1 2 412.490 1.737 20 30 HDEDLO CNC(=O)CC1SC(=Nc2ccccc2F)N([C@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000730138428 1076466478 /nfs/dbraw/zinc/46/64/78/1076466478.db2.gz CIOFWFXHDNKRFN-RHSMWYFYSA-N 1 2 421.542 1.529 20 30 HDEDLO CNC(=O)CC1SC(=Nc2ccccc2C)N([C@@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000730139693 1076466871 /nfs/dbraw/zinc/46/68/71/1076466871.db2.gz ILAHKMYFMCUBFE-FUHWJXTLSA-N 1 2 417.579 1.699 20 30 HDEDLO COc1ccc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2CC(C)C)cn1 ZINC000730143716 1076468439 /nfs/dbraw/zinc/46/84/39/1076468439.db2.gz CZVQCXPNFAXGRE-HNNXBMFYSA-N 1 2 407.540 1.746 20 30 HDEDLO COc1ccc(N=C2S[C@@H](CC(=O)NCC[NH+](C)C)C(=O)N2CC(C)C)cn1 ZINC000730143716 1076468446 /nfs/dbraw/zinc/46/84/46/1076468446.db2.gz CZVQCXPNFAXGRE-HNNXBMFYSA-N 1 2 407.540 1.746 20 30 HDEDLO CCn1cc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2C2CCCC2)cn1 ZINC000730143441 1076468774 /nfs/dbraw/zinc/46/87/74/1076468774.db2.gz BOQOTUAFFZLAGB-MRXNPFEDSA-N 1 2 406.556 1.845 20 30 HDEDLO CCn1cc(N=C2S[C@H](CC(=O)NCC[NH+](C)C)C(=O)N2C2CCCC2)cn1 ZINC000730143441 1076468776 /nfs/dbraw/zinc/46/87/76/1076468776.db2.gz BOQOTUAFFZLAGB-MRXNPFEDSA-N 1 2 406.556 1.845 20 30 HDEDLO CNC(=O)CC1SC(=Nc2ccc(F)cc2)N([C@@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000730144148 1076470045 /nfs/dbraw/zinc/47/00/45/1076470045.db2.gz XUZLZLOJIBUAHX-YOEHRIQHSA-N 1 2 421.542 1.529 20 30 HDEDLO CCn1cc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2C[C@@H]2CCCO2)cn1 ZINC000730145248 1076470062 /nfs/dbraw/zinc/47/00/62/1076470062.db2.gz YLWJVESFKVWRAM-HOTGVXAUSA-N 1 2 422.555 1.081 20 30 HDEDLO CCn1cc(N=C2S[C@@H](CC(=O)NCC[NH+](C)C)C(=O)N2C[C@@H]2CCCO2)cn1 ZINC000730145248 1076470066 /nfs/dbraw/zinc/47/00/66/1076470066.db2.gz YLWJVESFKVWRAM-HOTGVXAUSA-N 1 2 422.555 1.081 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)NC1=O ZINC000730271938 1076516063 /nfs/dbraw/zinc/51/60/63/1076516063.db2.gz NQXFIAWYJULUCP-GFCCVEGCSA-N 1 2 404.414 1.872 20 30 HDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(C#N)cc3C#N)C2)C1 ZINC001164720215 720245143 /nfs/dbraw/zinc/24/51/43/720245143.db2.gz SKSJZHFVEBXORI-LJQANCHMSA-N 1 2 402.886 1.143 20 30 HDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(C#N)cc3C#N)C2)C1 ZINC001164720215 720245149 /nfs/dbraw/zinc/24/51/49/720245149.db2.gz SKSJZHFVEBXORI-LJQANCHMSA-N 1 2 402.886 1.143 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1C#N)C2 ZINC001164827081 720439397 /nfs/dbraw/zinc/43/93/97/720439397.db2.gz YYIUGBMDIHATEC-OAHLLOKOSA-N 1 2 417.901 1.188 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(Cl)c1C#N)C2 ZINC001164825628 720441395 /nfs/dbraw/zinc/44/13/95/720441395.db2.gz SWAZPCGKYLWBLZ-HNNXBMFYSA-N 1 2 416.913 1.793 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(C#N)c1F)C2 ZINC001164824723 720451208 /nfs/dbraw/zinc/45/12/08/720451208.db2.gz PRPWBXDYCNQQMP-MRXNPFEDSA-N 1 2 400.458 1.278 20 30 HDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)no1 ZINC000489796324 1073592054 /nfs/dbraw/zinc/59/20/54/1073592054.db2.gz JPIZLGJDOFYQRK-INIZCTEOSA-N 1 2 404.496 1.628 20 30 HDEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)no1 ZINC000489796324 1073592060 /nfs/dbraw/zinc/59/20/60/1073592060.db2.gz JPIZLGJDOFYQRK-INIZCTEOSA-N 1 2 404.496 1.628 20 30 HDEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)nc1C ZINC000543542949 1074051291 /nfs/dbraw/zinc/05/12/91/1074051291.db2.gz QNUSDIDPVMODTA-JKSUJKDBSA-N 1 2 421.567 1.971 20 30 HDEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000674368757 1074298530 /nfs/dbraw/zinc/29/85/30/1074298530.db2.gz URTFRMKKNOZEOH-SFHVURJKSA-N 1 2 400.479 1.202 20 30 HDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(OC)c1 ZINC000674469173 1074366999 /nfs/dbraw/zinc/36/69/99/1074366999.db2.gz CJBGVFFYKVLMNV-IRXDYDNUSA-N 1 2 403.479 1.132 20 30 HDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(OC)c1 ZINC000674469173 1074367005 /nfs/dbraw/zinc/36/70/05/1074367005.db2.gz CJBGVFFYKVLMNV-IRXDYDNUSA-N 1 2 403.479 1.132 20 30 HDEDLO NC(=[NH+]OCc1nnnn1CC1CCOCC1)c1ccc(OCc2cccnc2)cc1 ZINC000766112310 1074819115 /nfs/dbraw/zinc/81/91/15/1074819115.db2.gz CWNJGZYGVKBPGC-UHFFFAOYSA-N 1 2 423.477 1.911 20 30 HDEDLO C=CCc1cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc(OC)c1OC ZINC000596029642 1075707951 /nfs/dbraw/zinc/70/79/51/1075707951.db2.gz GIUCWBXAJQTHLA-UHFFFAOYSA-N 1 2 400.479 2.213 20 30 HDEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428810081 1075717948 /nfs/dbraw/zinc/71/79/48/1075717948.db2.gz XHCOBOAANHWSBC-RHSMWYFYSA-N 1 2 402.462 2.100 20 30 HDEDLO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428810081 1075717954 /nfs/dbraw/zinc/71/79/54/1075717954.db2.gz XHCOBOAANHWSBC-RHSMWYFYSA-N 1 2 402.462 2.100 20 30 HDEDLO N#Cc1cccnc1NCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732455090 1075742800 /nfs/dbraw/zinc/74/28/00/1075742800.db2.gz CPFDIVTZBZQRPB-FQEVSTJZSA-N 1 2 408.506 1.608 20 30 HDEDLO N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)c(F)c1 ZINC000557501133 1075807488 /nfs/dbraw/zinc/80/74/88/1075807488.db2.gz HBXRNQJAPYTOOT-KRWDZBQOSA-N 1 2 412.469 1.691 20 30 HDEDLO N#CCc1ccc(OC[C@H](O)C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000611173459 1075867565 /nfs/dbraw/zinc/86/75/65/1075867565.db2.gz MGHQPPRXXCLAEA-GGPKGHCWSA-N 1 2 408.520 1.160 20 30 HDEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000611173459 1075867569 /nfs/dbraw/zinc/86/75/69/1075867569.db2.gz MGHQPPRXXCLAEA-GGPKGHCWSA-N 1 2 408.520 1.160 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000733149885 1075984359 /nfs/dbraw/zinc/98/43/59/1075984359.db2.gz WLMRRXSEILJCAZ-UHFFFAOYSA-N 1 2 405.502 1.747 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000733149885 1075984362 /nfs/dbraw/zinc/98/43/62/1075984362.db2.gz WLMRRXSEILJCAZ-UHFFFAOYSA-N 1 2 405.502 1.747 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H](C)N3CC[NH+](CC)CC3)cc2[nH]c1=S ZINC000733158330 1075991845 /nfs/dbraw/zinc/99/18/45/1075991845.db2.gz HMUNMCJWRDQRJP-HNNXBMFYSA-N 1 2 415.563 1.627 20 30 HDEDLO CO[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973781 1076021676 /nfs/dbraw/zinc/02/16/76/1076021676.db2.gz TUIUSAYNHSRSNU-ORFRNNEJSA-N 1 2 403.454 1.064 20 30 HDEDLO CO[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001081973781 1076021684 /nfs/dbraw/zinc/02/16/84/1076021684.db2.gz TUIUSAYNHSRSNU-ORFRNNEJSA-N 1 2 403.454 1.064 20 30 HDEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)CC1 ZINC000727816501 1076261551 /nfs/dbraw/zinc/26/15/51/1076261551.db2.gz GNMWZPWSADBDMY-MRXNPFEDSA-N 1 2 411.325 1.486 20 30 HDEDLO C#Cc1cccc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2CCCOC)c1 ZINC000730144495 1076469172 /nfs/dbraw/zinc/46/91/72/1076469172.db2.gz NVOZMZRGNWVDBU-SFHVURJKSA-N 1 2 416.547 1.704 20 30 HDEDLO C#Cc1cccc(N=C2S[C@@H](CC(=O)NCC[NH+](C)C)C(=O)N2CCCOC)c1 ZINC000730144495 1076469181 /nfs/dbraw/zinc/46/91/81/1076469181.db2.gz NVOZMZRGNWVDBU-SFHVURJKSA-N 1 2 416.547 1.704 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)cc2[nH]c1=S ZINC000730228625 1076485660 /nfs/dbraw/zinc/48/56/60/1076485660.db2.gz VBZYAIQCCAWUKH-AWEZNQCLSA-N 1 2 401.536 1.237 20 30 HDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(cc1C#N)COCC2 ZINC001164707647 719874378 /nfs/dbraw/zinc/87/43/78/719874378.db2.gz UXEBWVKYZHGPHW-DYESRHJHSA-N 1 2 400.479 1.259 20 30 HDEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(C)nc4C#N)CC3)C2=O)cs1 ZINC001164820197 720378165 /nfs/dbraw/zinc/37/81/65/720378165.db2.gz MDHKKDUUVJSRFK-UHFFFAOYSA-N 1 2 411.535 1.735 20 30 HDEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(C)nc4C#N)CC3)C2=O)cs1 ZINC001164820197 720378173 /nfs/dbraw/zinc/37/81/73/720378173.db2.gz MDHKKDUUVJSRFK-UHFFFAOYSA-N 1 2 411.535 1.735 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)ncc1C#N)C2 ZINC001164825095 720432875 /nfs/dbraw/zinc/43/28/75/720432875.db2.gz PZSWLBNPRRUQNJ-INIZCTEOSA-N 1 2 416.913 1.793 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(C#N)c[nH]c3n1)C2 ZINC001164830243 720458007 /nfs/dbraw/zinc/45/80/07/720458007.db2.gz JVFFEUYEEYTBBI-QGZVFWFLSA-N 1 2 421.505 1.621 20 30 HDEDLO Cc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C#N ZINC001164917730 721784108 /nfs/dbraw/zinc/78/41/08/721784108.db2.gz YYGROUGAJRGMHC-FQEVSTJZSA-N 1 2 414.897 1.813 20 30 HDEDLO Cc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C#N ZINC001164917730 721784115 /nfs/dbraw/zinc/78/41/15/721784115.db2.gz YYGROUGAJRGMHC-FQEVSTJZSA-N 1 2 414.897 1.813 20 30 HDEDLO C=CCOc1cc(C)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917133 721784244 /nfs/dbraw/zinc/78/42/44/721784244.db2.gz XBQDZEMRLHTSIM-QFIPXVFZSA-N 1 2 411.506 1.853 20 30 HDEDLO C=CCOc1cc(C)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917133 721784246 /nfs/dbraw/zinc/78/42/46/721784246.db2.gz XBQDZEMRLHTSIM-QFIPXVFZSA-N 1 2 411.506 1.853 20 30 HDEDLO C=CC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000731483740 1075366637 /nfs/dbraw/zinc/36/66/37/1075366637.db2.gz RZYUOZOQXDYILS-LJQANCHMSA-N 1 2 407.536 1.527 20 30 HDEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000731483740 1075366638 /nfs/dbraw/zinc/36/66/38/1075366638.db2.gz RZYUOZOQXDYILS-LJQANCHMSA-N 1 2 407.536 1.527 20 30 HDEDLO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)n2)c(F)c1 ZINC000543931305 1075796323 /nfs/dbraw/zinc/79/63/23/1075796323.db2.gz QXCACKSQIVYIFX-OAHLLOKOSA-N 1 2 419.420 1.612 20 30 HDEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NC2CCN(CC#N)CC2)c2ccc(Cl)cc2)C1 ZINC000611225535 1075881280 /nfs/dbraw/zinc/88/12/80/1075881280.db2.gz VWSQHPXGVVXBND-MOPGFXCFSA-N 1 2 405.930 1.999 20 30 HDEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NC2CCN(CC#N)CC2)c2ccc(Cl)cc2)C1 ZINC000611225535 1075881281 /nfs/dbraw/zinc/88/12/81/1075881281.db2.gz VWSQHPXGVVXBND-MOPGFXCFSA-N 1 2 405.930 1.999 20 30 HDEDLO CCOC(=O)CNC(=O)C1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000611348140 1075912637 /nfs/dbraw/zinc/91/26/37/1075912637.db2.gz WMJUKLRIJHZKNN-UHFFFAOYSA-N 1 2 409.490 1.944 20 30 HDEDLO CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCn1cc[nH+]c1 ZINC000733166277 1075998439 /nfs/dbraw/zinc/99/84/39/1075998439.db2.gz NPVBCZRMRFRNFL-QGZVFWFLSA-N 1 2 417.535 1.933 20 30 HDEDLO Fc1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)ccc1N1CCOCC1 ZINC000727253602 1076086975 /nfs/dbraw/zinc/08/69/75/1076086975.db2.gz JIOLCJDOOBEAKA-UHFFFAOYSA-N 1 2 409.531 1.183 20 30 HDEDLO CCOc1ccc(C[NH+]2CCN(C(=O)CCNC(=O)C3N=CC=CC3=O)CC2)cc1 ZINC000733887217 1076249986 /nfs/dbraw/zinc/24/99/86/1076249986.db2.gz RSKRIOVEWOWQNH-DQRAZIAOSA-N 1 2 412.490 1.646 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2[nH]c1=S ZINC000730086709 1076440596 /nfs/dbraw/zinc/44/05/96/1076440596.db2.gz PLACUTPDOMFLJN-ROUUACIJSA-N 1 2 414.531 1.542 20 30 HDEDLO CNC(=O)CC1SC(=Nc2ccccc2)N([C@@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000730141394 1076467592 /nfs/dbraw/zinc/46/75/92/1076467592.db2.gz JUOIIHZYGAOWNX-DOTOQJQBSA-N 1 2 403.552 1.390 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(C2CCC2)C1=O ZINC000730463410 1076579491 /nfs/dbraw/zinc/57/94/91/1076579491.db2.gz WYCSNUBPSBXQTI-LRWZUSMTSA-N 1 2 403.552 1.545 20 30 HDEDLO CCn1cc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2Cc2cocn2)cn1 ZINC000730724869 1076643515 /nfs/dbraw/zinc/64/35/15/1076643515.db2.gz TXDNLQFCMWTUPN-HNNXBMFYSA-N 1 2 419.511 1.091 20 30 HDEDLO CCn1cc(N=C2S[C@@H](CC(=O)NCC[NH+](C)C)C(=O)N2Cc2cocn2)cn1 ZINC000730724869 1076643524 /nfs/dbraw/zinc/64/35/24/1076643524.db2.gz TXDNLQFCMWTUPN-HNNXBMFYSA-N 1 2 419.511 1.091 20 30 HDEDLO COc1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C#N ZINC001164827282 720445305 /nfs/dbraw/zinc/44/53/05/720445305.db2.gz ZWGMSBSTJUEAKM-MRXNPFEDSA-N 1 2 412.494 1.148 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3c(cc1C#N)CCC3)C2 ZINC001164831252 720471482 /nfs/dbraw/zinc/47/14/82/720471482.db2.gz NWRAOSMCFGKBJS-LJQANCHMSA-N 1 2 422.533 1.628 20 30 HDEDLO C=CCOc1cc(C)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917131 721783934 /nfs/dbraw/zinc/78/39/34/721783934.db2.gz XBQDZEMRLHTSIM-JOCHJYFZSA-N 1 2 411.506 1.853 20 30 HDEDLO C=CCOc1cc(C)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917131 721783936 /nfs/dbraw/zinc/78/39/36/721783936.db2.gz XBQDZEMRLHTSIM-JOCHJYFZSA-N 1 2 411.506 1.853 20 30 HDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)cc1 ZINC000429189974 1074030964 /nfs/dbraw/zinc/03/09/64/1074030964.db2.gz RUPPUOZETBIVSZ-UHFFFAOYSA-N 1 2 405.506 1.844 20 30 HDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466598184 1074055245 /nfs/dbraw/zinc/05/52/45/1074055245.db2.gz QPBPKSAXHAUFII-UHFFFAOYSA-N 1 2 421.465 1.795 20 30 HDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731649374 1075428606 /nfs/dbraw/zinc/42/86/06/1075428606.db2.gz MRQOLYCIKOQZGP-IBGZPJMESA-N 1 2 407.536 1.587 20 30 HDEDLO C=CCc1ccc(OCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(OC)c1 ZINC000731648835 1075429958 /nfs/dbraw/zinc/42/99/58/1075429958.db2.gz JHATZQKNUANAKM-UHFFFAOYSA-N 1 2 410.536 1.428 20 30 HDEDLO N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(N)=O)cc3-n3cc[nH+]c3)CC2=O)cc1 ZINC001129216510 1075561909 /nfs/dbraw/zinc/56/19/09/1075561909.db2.gz NJNSOZHAUIRVDL-INIZCTEOSA-N 1 2 414.425 1.834 20 30 HDEDLO CC(=CS(C)(=O)=O)NNc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000732527644 1075780702 /nfs/dbraw/zinc/78/07/02/1075780702.db2.gz DMZIIMVFRYADJS-BETUJISGSA-N 1 2 402.542 1.581 20 30 HDEDLO N#C[C@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCN1C1CC1 ZINC000732675483 1075829272 /nfs/dbraw/zinc/82/92/72/1075829272.db2.gz UYJKOLUUDADHGE-FQEVSTJZSA-N 1 2 413.522 1.279 20 30 HDEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000611540566 1075956525 /nfs/dbraw/zinc/95/65/25/1075956525.db2.gz CQHSFZZCXZYZDN-CVEARBPZSA-N 1 2 414.325 1.540 20 30 HDEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611540680 1075956924 /nfs/dbraw/zinc/95/69/24/1075956924.db2.gz NFPWYSVECPXVHU-HUUCEWRRSA-N 1 2 403.426 1.797 20 30 HDEDLO COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000611551391 1075962456 /nfs/dbraw/zinc/96/24/56/1075962456.db2.gz LHNNADUYNXJGJK-JXFKEZNVSA-N 1 2 416.497 1.808 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)cc2OC)CC1 ZINC000733149786 1075984806 /nfs/dbraw/zinc/98/48/06/1075984806.db2.gz QYUVFSMQQXQCJF-UHFFFAOYSA-N 1 2 408.296 1.355 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2OC)CC1 ZINC000733149786 1075984810 /nfs/dbraw/zinc/98/48/10/1075984810.db2.gz QYUVFSMQQXQCJF-UHFFFAOYSA-N 1 2 408.296 1.355 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(=O)N(CC)CCC)cc2)CC1 ZINC000733149150 1075985570 /nfs/dbraw/zinc/98/55/70/1075985570.db2.gz ZNRLSNYQYWUDBC-UHFFFAOYSA-N 1 2 412.534 1.456 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(=O)N(CC)CCC)cc2)CC1 ZINC000733149150 1075985571 /nfs/dbraw/zinc/98/55/71/1075985571.db2.gz ZNRLSNYQYWUDBC-UHFFFAOYSA-N 1 2 412.534 1.456 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)cc2[nH]c1=S ZINC000733976422 1076280771 /nfs/dbraw/zinc/28/07/71/1076280771.db2.gz CDRFFKGKEXSRJW-AWEZNQCLSA-N 1 2 401.536 1.237 20 30 HDEDLO COc1ccc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2C2CC2)cc1F ZINC000730143723 1076468756 /nfs/dbraw/zinc/46/87/56/1076468756.db2.gz DDTPISUPJOPDIC-INIZCTEOSA-N 1 2 408.499 1.996 20 30 HDEDLO COc1ccc(N=C2S[C@@H](CC(=O)NCC[NH+](C)C)C(=O)N2C2CC2)cc1F ZINC000730143723 1076468757 /nfs/dbraw/zinc/46/87/57/1076468757.db2.gz DDTPISUPJOPDIC-INIZCTEOSA-N 1 2 408.499 1.996 20 30 HDEDLO C#Cc1cccc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2CCOC)c1 ZINC000730144700 1076469278 /nfs/dbraw/zinc/46/92/78/1076469278.db2.gz QTZPLIPIWANUBR-KRWDZBQOSA-N 1 2 402.520 1.314 20 30 HDEDLO C#Cc1cccc(N=C2S[C@@H](CC(=O)NCC[NH+](C)C)C(=O)N2CCOC)c1 ZINC000730144700 1076469282 /nfs/dbraw/zinc/46/92/82/1076469282.db2.gz QTZPLIPIWANUBR-KRWDZBQOSA-N 1 2 402.520 1.314 20 30 HDEDLO C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000731122843 1076726343 /nfs/dbraw/zinc/72/63/43/1076726343.db2.gz PZBGOXDXYXMGDS-NRFANRHFSA-N 1 2 407.470 1.654 20 30 HDEDLO C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000731122843 1076726351 /nfs/dbraw/zinc/72/63/51/1076726351.db2.gz PZBGOXDXYXMGDS-NRFANRHFSA-N 1 2 407.470 1.654 20 30 HDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(C#N)cc1C#N ZINC001164700132 719853600 /nfs/dbraw/zinc/85/36/00/719853600.db2.gz GQHMRRYUOMLWSD-HNAYVOBHSA-N 1 2 403.870 1.711 20 30 HDEDLO C=CCNC(=O)c1cccnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164707837 719868403 /nfs/dbraw/zinc/86/84/03/719868403.db2.gz VZFDXJPDTFIRDS-IIBYNOLFSA-N 1 2 402.495 1.230 20 30 HDEDLO Cc1cc(Cl)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1C#N ZINC001164702850 719934357 /nfs/dbraw/zinc/93/43/57/719934357.db2.gz HKWBQOPXRXSIED-UHFFFAOYSA-N 1 2 413.913 1.599 20 30 HDEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)ncc4C#N)CC3)C2=O)cs1 ZINC001164823098 720367086 /nfs/dbraw/zinc/36/70/86/720367086.db2.gz ANUXGUQXKACYCU-UHFFFAOYSA-N 1 2 411.535 1.735 20 30 HDEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)ncc4C#N)CC3)C2=O)cs1 ZINC001164823098 720367091 /nfs/dbraw/zinc/36/70/91/720367091.db2.gz ANUXGUQXKACYCU-UHFFFAOYSA-N 1 2 411.535 1.735 20 30 HDEDLO N#Cc1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910470 721774653 /nfs/dbraw/zinc/77/46/53/721774653.db2.gz BXTXWCPAPITYBT-IBGZPJMESA-N 1 2 400.870 1.504 20 30 HDEDLO N#Cc1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910470 721774656 /nfs/dbraw/zinc/77/46/56/721774656.db2.gz BXTXWCPAPITYBT-IBGZPJMESA-N 1 2 400.870 1.504 20 30 HDEDLO N#C[C@H](c1nc2ccccc2nc1-n1cnc(C[NH3+])n1)S(=O)(=O)c1ccc(F)cc1 ZINC001168750125 1073988316 /nfs/dbraw/zinc/98/83/16/1073988316.db2.gz KDTKTCNSVSLICP-MRXNPFEDSA-N 1 2 423.433 1.847 20 30 HDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(OC)c1 ZINC000674469170 1074366914 /nfs/dbraw/zinc/36/69/14/1074366914.db2.gz CJBGVFFYKVLMNV-IAGOWNOFSA-N 1 2 403.479 1.132 20 30 HDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(OC)c1 ZINC000674469170 1074366920 /nfs/dbraw/zinc/36/69/20/1074366920.db2.gz CJBGVFFYKVLMNV-IAGOWNOFSA-N 1 2 403.479 1.132 20 30 HDEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731686525 1075446098 /nfs/dbraw/zinc/44/60/98/1075446098.db2.gz CBCAUGRNJNCPBD-UHFFFAOYSA-N 1 2 406.552 1.989 20 30 HDEDLO C[C@H](c1cccc(NC(=O)NCCNC(=O)C2N=CC=CC2=O)c1)[NH+]1CCOCC1 ZINC000732434233 1075744200 /nfs/dbraw/zinc/74/42/00/1075744200.db2.gz ZUGQLOZKBFLPJC-MVZUJROASA-N 1 2 413.478 1.728 20 30 HDEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@@H]2c2ccc(OCC)cc2)c1=O ZINC000732526482 1075780759 /nfs/dbraw/zinc/78/07/59/1075780759.db2.gz GSSQKKGTQBBIOW-LJQANCHMSA-N 1 2 412.490 1.737 20 30 HDEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@@H]2c2ccc(OCC)cc2)c1=O ZINC000732526482 1075780762 /nfs/dbraw/zinc/78/07/62/1075780762.db2.gz GSSQKKGTQBBIOW-LJQANCHMSA-N 1 2 412.490 1.737 20 30 HDEDLO CCCn1c(=O)c(=Cc2cc(OC)cc(C)[nH+]2)sc1=C(C#N)C(=O)[C@@H]1CCOC1 ZINC000488982172 1075844599 /nfs/dbraw/zinc/84/45/99/1075844599.db2.gz MPOXPCOGARXWON-CQSZACIVSA-N 1 2 413.499 1.141 20 30 HDEDLO N#CCOc1ccccc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915031 1075912543 /nfs/dbraw/zinc/91/25/43/1075912543.db2.gz CBOBWWIITMYULT-KRWDZBQOSA-N 1 2 422.489 1.614 20 30 HDEDLO N#CCOc1ccccc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915031 1075912545 /nfs/dbraw/zinc/91/25/45/1075912545.db2.gz CBOBWWIITMYULT-KRWDZBQOSA-N 1 2 422.489 1.614 20 30 HDEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000611540679 1075956966 /nfs/dbraw/zinc/95/69/66/1075956966.db2.gz NFPWYSVECPXVHU-GJZGRUSLSA-N 1 2 403.426 1.797 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCOc2cccc(Br)c2)CC1 ZINC000733148629 1075983856 /nfs/dbraw/zinc/98/38/56/1075983856.db2.gz FVMGVFTXSNMECC-UHFFFAOYSA-N 1 2 422.323 1.502 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCOc2cccc(Br)c2)CC1 ZINC000733148629 1075983859 /nfs/dbraw/zinc/98/38/59/1075983859.db2.gz FVMGVFTXSNMECC-UHFFFAOYSA-N 1 2 422.323 1.502 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000733150652 1075986264 /nfs/dbraw/zinc/98/62/64/1075986264.db2.gz RVAGEJYABCLBKF-UHFFFAOYSA-N 1 2 422.316 1.467 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000733150652 1075986265 /nfs/dbraw/zinc/98/62/65/1075986265.db2.gz RVAGEJYABCLBKF-UHFFFAOYSA-N 1 2 422.316 1.467 20 30 HDEDLO C#CC[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733197208 1076003936 /nfs/dbraw/zinc/00/39/36/1076003936.db2.gz QOJLTGHYXQMCGM-MRXNPFEDSA-N 1 2 418.291 1.806 20 30 HDEDLO C#CC[N@H+](Cc1cc(=O)n(C)c(=O)n1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733197208 1076003943 /nfs/dbraw/zinc/00/39/43/1076003943.db2.gz QOJLTGHYXQMCGM-MRXNPFEDSA-N 1 2 418.291 1.806 20 30 HDEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000733786177 1076205924 /nfs/dbraw/zinc/20/59/24/1076205924.db2.gz AAKCNUAPTHIREF-OALUTQOASA-N 1 2 414.506 1.164 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)NCC3([NH+](C)C)CCOCC3)cc2[nH]c1=S ZINC000733809384 1076211227 /nfs/dbraw/zinc/21/12/27/1076211227.db2.gz LDEVUPRPNVDWMR-UHFFFAOYSA-N 1 2 402.520 1.712 20 30 HDEDLO COc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cc1C#N ZINC001083147887 1076304636 /nfs/dbraw/zinc/30/46/36/1076304636.db2.gz JVZCJNOERSVUSS-BJWFUVPOSA-N 1 2 409.486 1.402 20 30 HDEDLO COc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cc1C#N ZINC001083147887 1076304642 /nfs/dbraw/zinc/30/46/42/1076304642.db2.gz JVZCJNOERSVUSS-BJWFUVPOSA-N 1 2 409.486 1.402 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C2CCC2)C1=O ZINC000730463412 1076579371 /nfs/dbraw/zinc/57/93/71/1076579371.db2.gz WYCSNUBPSBXQTI-OLRQPGBRSA-N 1 2 403.552 1.545 20 30 HDEDLO CCn1cc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2Cc2cocn2)cn1 ZINC000730724871 1076643613 /nfs/dbraw/zinc/64/36/13/1076643613.db2.gz TXDNLQFCMWTUPN-OAHLLOKOSA-N 1 2 419.511 1.091 20 30 HDEDLO CCn1cc(N=C2S[C@H](CC(=O)NCC[NH+](C)C)C(=O)N2Cc2cocn2)cn1 ZINC000730724871 1076643617 /nfs/dbraw/zinc/64/36/17/1076643617.db2.gz TXDNLQFCMWTUPN-OAHLLOKOSA-N 1 2 419.511 1.091 20 30 HDEDLO Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1S(=O)(=O)NCC#N ZINC000731186251 1076741382 /nfs/dbraw/zinc/74/13/82/1076741382.db2.gz LPULUJRHNVCFKZ-KRWDZBQOSA-N 1 2 403.508 1.838 20 30 HDEDLO Cc1nc(C)c(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)s1 ZINC000328603072 569416776 /nfs/dbraw/zinc/41/67/76/569416776.db2.gz DQJFPLKFELOUMA-HNNXBMFYSA-N 1 2 416.551 1.911 20 30 HDEDLO CCc1onc(C)c1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328603140 569416934 /nfs/dbraw/zinc/41/69/34/569416934.db2.gz FBEBORBJHCGRQS-HNNXBMFYSA-N 1 2 414.510 1.697 20 30 HDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(cc1C#N)COCC2 ZINC001164707650 719874417 /nfs/dbraw/zinc/87/44/17/719874417.db2.gz UXEBWVKYZHGPHW-UWJYYQICSA-N 1 2 400.479 1.259 20 30 HDEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(C#N)cc4C#N)CC3)C2=O)cs1 ZINC001164824875 720364397 /nfs/dbraw/zinc/36/43/97/720364397.db2.gz PCFBQJCZZUNDIP-UHFFFAOYSA-N 1 2 421.530 1.903 20 30 HDEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(C#N)cc4C#N)CC3)C2=O)cs1 ZINC001164824875 720364404 /nfs/dbraw/zinc/36/44/04/720364404.db2.gz PCFBQJCZZUNDIP-UHFFFAOYSA-N 1 2 421.530 1.903 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(C#N)cc(Cl)n1)C2 ZINC001164829043 720427338 /nfs/dbraw/zinc/42/73/38/720427338.db2.gz ZDDFKCKDIJFWDK-MRXNPFEDSA-N 1 2 416.913 1.793 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(F)cc1C#N)C2 ZINC001164826315 720438184 /nfs/dbraw/zinc/43/81/84/720438184.db2.gz VSBVGAQLUWLVBO-INIZCTEOSA-N 1 2 400.458 1.278 20 30 HDEDLO COc1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1C#N ZINC001164827281 720445008 /nfs/dbraw/zinc/44/50/08/720445008.db2.gz ZWGMSBSTJUEAKM-INIZCTEOSA-N 1 2 412.494 1.148 20 30 HDEDLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029860033 1073885408 /nfs/dbraw/zinc/88/54/08/1073885408.db2.gz JQKPUDATCLCRMR-QGZVFWFLSA-N 1 2 423.496 1.347 20 30 HDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N(CCC#N)Cc3ccccn3)ccn2)CC1 ZINC000543615259 1074737572 /nfs/dbraw/zinc/73/75/72/1074737572.db2.gz UXFAMFRZORNRMO-UHFFFAOYSA-N 1 2 407.478 1.812 20 30 HDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCN(c4cccs4)CC3)CC2)o1 ZINC000466702685 1075282554 /nfs/dbraw/zinc/28/25/54/1075282554.db2.gz KPSUIGFXZGKJOP-UHFFFAOYSA-N 1 2 400.508 1.387 20 30 HDEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731760792 1075516027 /nfs/dbraw/zinc/51/60/27/1075516027.db2.gz AIVNVJNXZBDBQX-UHFFFAOYSA-N 1 2 406.552 1.987 20 30 HDEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000731760954 1075516058 /nfs/dbraw/zinc/51/60/58/1075516058.db2.gz KLNLCYBICRAJQH-UHFFFAOYSA-N 1 2 404.536 1.741 20 30 HDEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000536343184 1075661362 /nfs/dbraw/zinc/66/13/62/1075661362.db2.gz FJIRPLFNVXIZDZ-CQSZACIVSA-N 1 2 409.263 1.856 20 30 HDEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000536343184 1075661369 /nfs/dbraw/zinc/66/13/69/1075661369.db2.gz FJIRPLFNVXIZDZ-CQSZACIVSA-N 1 2 409.263 1.856 20 30 HDEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000732233267 1075685619 /nfs/dbraw/zinc/68/56/19/1075685619.db2.gz AOBIJGRDRQDCCU-NXVVXOECSA-N 1 2 404.496 1.777 20 30 HDEDLO O=C(NCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1N=CC=CC1=O ZINC000732466830 1075754673 /nfs/dbraw/zinc/75/46/73/1075754673.db2.gz RNQSVFGHNMCSSC-YNTZAHRHSA-N 1 2 409.490 1.553 20 30 HDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCO[C@@H](C4CCCCC4)C3)CC2)o1 ZINC000543590867 1075755338 /nfs/dbraw/zinc/75/53/38/1075755338.db2.gz XLBNKRAGKOONEE-LJQANCHMSA-N 1 2 401.511 1.784 20 30 HDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCO[C@@H](C4CCCCC4)C3)CC2)o1 ZINC000543590867 1075755345 /nfs/dbraw/zinc/75/53/45/1075755345.db2.gz XLBNKRAGKOONEE-LJQANCHMSA-N 1 2 401.511 1.784 20 30 HDEDLO C#CCNC(=O)C1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000732476718 1075757350 /nfs/dbraw/zinc/75/73/50/1075757350.db2.gz UEZLWERHQNWJDF-OAQYLSRUSA-N 1 2 412.534 1.101 20 30 HDEDLO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)n2)c(F)c1 ZINC000543931303 1075796601 /nfs/dbraw/zinc/79/66/01/1075796601.db2.gz 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Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000546594960 1075384195 /nfs/dbraw/zinc/38/41/95/1075384195.db2.gz OTVVJQYJYJABAE-SFHVURJKSA-N 1 2 415.457 1.689 20 30 HDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000546594960 1075384201 /nfs/dbraw/zinc/38/42/01/1075384201.db2.gz OTVVJQYJYJABAE-SFHVURJKSA-N 1 2 415.457 1.689 20 30 HDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000731847019 1075531378 /nfs/dbraw/zinc/53/13/78/1075531378.db2.gz RHKNLVNQMCXUQW-QGZVFWFLSA-N 1 2 423.473 1.031 20 30 HDEDLO N#C[C@@H](C(=O)CN1CCCC[C@@H]1C[NH+]1CCOCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000732210675 1075667176 /nfs/dbraw/zinc/66/71/76/1075667176.db2.gz CQNPVJVWXDDSCC-AEFFLSMTSA-N 1 2 409.490 1.698 20 30 HDEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000732466605 1075754748 /nfs/dbraw/zinc/75/47/48/1075754748.db2.gz PVYHYFUDLDBYKH-FMQUCBEESA-N 1 2 413.478 1.049 20 30 HDEDLO CCCn1c(=O)c(=Cc2cc(OC)cc(C)[nH+]2)sc1=C(C#N)C(=O)[C@H]1CCOC1 ZINC000488982167 1075844489 /nfs/dbraw/zinc/84/44/89/1075844489.db2.gz MPOXPCOGARXWON-AWEZNQCLSA-N 1 2 413.499 1.141 20 30 HDEDLO CS(=O)(=O)N1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000611210861 1075875136 /nfs/dbraw/zinc/87/51/36/1075875136.db2.gz PMPRLAOPAXBFDN-IBGZPJMESA-N 1 2 415.515 1.774 20 30 HDEDLO CS(=O)(=O)N1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000611210861 1075875140 /nfs/dbraw/zinc/87/51/40/1075875140.db2.gz PMPRLAOPAXBFDN-IBGZPJMESA-N 1 2 415.515 1.774 20 30 HDEDLO C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1F ZINC000611501403 1075949464 /nfs/dbraw/zinc/94/94/64/1075949464.db2.gz BKWMZDHPSXBCGL-DOTOQJQBSA-N 1 2 408.499 1.071 20 30 HDEDLO C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1F ZINC000611501403 1075949467 /nfs/dbraw/zinc/94/94/67/1075949467.db2.gz BKWMZDHPSXBCGL-DOTOQJQBSA-N 1 2 408.499 1.071 20 30 HDEDLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552353 1075962681 /nfs/dbraw/zinc/96/26/81/1075962681.db2.gz WLZWDVXUICZOFA-AYBZRNKSSA-N 1 2 401.486 1.120 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)CC1 ZINC000733149533 1075985181 /nfs/dbraw/zinc/98/51/81/1075985181.db2.gz JFXABUHGXKGPGZ-UHFFFAOYSA-N 1 2 424.549 1.110 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)CC1 ZINC000733149533 1075985184 /nfs/dbraw/zinc/98/51/84/1075985184.db2.gz JFXABUHGXKGPGZ-UHFFFAOYSA-N 1 2 424.549 1.110 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OCc3ccncc3)cc2)CC1 ZINC000733149568 1075985433 /nfs/dbraw/zinc/98/54/33/1075985433.db2.gz LCHFRKBQKHSPFJ-UHFFFAOYSA-N 1 2 406.486 1.558 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OCc3ccncc3)cc2)CC1 ZINC000733149568 1075985438 /nfs/dbraw/zinc/98/54/38/1075985438.db2.gz LCHFRKBQKHSPFJ-UHFFFAOYSA-N 1 2 406.486 1.558 20 30 HDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1 ZINC001083147744 1076304222 /nfs/dbraw/zinc/30/42/22/1076304222.db2.gz BTNPXKVSPKVYAM-BJWFUVPOSA-N 1 2 409.486 1.402 20 30 HDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1 ZINC001083147744 1076304227 /nfs/dbraw/zinc/30/42/27/1076304227.db2.gz BTNPXKVSPKVYAM-BJWFUVPOSA-N 1 2 409.486 1.402 20 30 HDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 ZINC000730096368 1076449978 /nfs/dbraw/zinc/44/99/78/1076449978.db2.gz PZOALMUZIDOUSA-KRWDZBQOSA-N 1 2 405.520 1.906 20 30 HDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 ZINC000730096368 1076449981 /nfs/dbraw/zinc/44/99/81/1076449981.db2.gz PZOALMUZIDOUSA-KRWDZBQOSA-N 1 2 405.520 1.906 20 30 HDEDLO CNC(=O)CC1SC(=Nc2ccccc2F)N([C@@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000730138433 1076466596 /nfs/dbraw/zinc/46/65/96/1076466596.db2.gz CIOFWFXHDNKRFN-YOEHRIQHSA-N 1 2 421.542 1.529 20 30 HDEDLO CNC(=O)CC1SC(=Nc2ccccc2C)N([C@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000730139690 1076466838 /nfs/dbraw/zinc/46/68/38/1076466838.db2.gz ILAHKMYFMCUBFE-AEFFLSMTSA-N 1 2 417.579 1.699 20 30 HDEDLO COc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncc1C#N ZINC001164828970 720428646 /nfs/dbraw/zinc/42/86/46/720428646.db2.gz YNFJYKHQQKAJML-QGZVFWFLSA-N 1 2 412.494 1.148 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(C#N)c[nH]c3n1)C2 ZINC001164830241 720457126 /nfs/dbraw/zinc/45/71/26/720457126.db2.gz JVFFEUYEEYTBBI-KRWDZBQOSA-N 1 2 421.505 1.621 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(C#N)cc1F)C2 ZINC001164832226 720463605 /nfs/dbraw/zinc/46/36/05/720463605.db2.gz RLQCMWHCIMLWDT-MRXNPFEDSA-N 1 2 400.458 1.278 20 30 HDEDLO COc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(F)cc1C#N ZINC001164913540 721792523 /nfs/dbraw/zinc/79/25/23/721792523.db2.gz FESFELJCJJHIJU-OAQYLSRUSA-N 1 2 413.453 1.604 20 30 HDEDLO COc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(F)cc1C#N ZINC001164913540 721792528 /nfs/dbraw/zinc/79/25/28/721792528.db2.gz FESFELJCJJHIJU-OAQYLSRUSA-N 1 2 413.453 1.604 20 30 HDEDLO CCOC(=O)c1sc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)nc1C ZINC000543542946 1074051368 /nfs/dbraw/zinc/05/13/68/1074051368.db2.gz QNUSDIDPVMODTA-CVEARBPZSA-N 1 2 421.567 1.971 20 30 HDEDLO Cc1cc(NC(=O)C2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 ZINC000478431546 1074819623 /nfs/dbraw/zinc/81/96/23/1074819623.db2.gz GTDLVYMPECKLTO-UHFFFAOYSA-N 1 2 402.476 1.979 20 30 HDEDLO C=CCc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc(OC)c1OC ZINC000731649087 1075429006 /nfs/dbraw/zinc/42/90/06/1075429006.db2.gz XXSRNUKIRCKDCW-UHFFFAOYSA-N 1 2 410.536 1.671 20 30 HDEDLO C#CCNC(=O)C1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000732476717 1075757295 /nfs/dbraw/zinc/75/72/95/1075757295.db2.gz UEZLWERHQNWJDF-NRFANRHFSA-N 1 2 412.534 1.101 20 30 HDEDLO N#CCCn1ccc(NC(=O)C(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n1 ZINC000439174632 1075772879 /nfs/dbraw/zinc/77/28/79/1075772879.db2.gz 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HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(-c3ccccn3)c2C(C)C)CC1 ZINC000733148708 1075983566 /nfs/dbraw/zinc/98/35/66/1075983566.db2.gz IMDZFFPZBNWLCI-UHFFFAOYSA-N 1 2 408.506 1.288 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(-c3ccccn3)c2C(C)C)CC1 ZINC000733148708 1075983569 /nfs/dbraw/zinc/98/35/69/1075983569.db2.gz IMDZFFPZBNWLCI-UHFFFAOYSA-N 1 2 408.506 1.288 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2CCC)CC1 ZINC000733148588 1075983606 /nfs/dbraw/zinc/98/36/06/1075983606.db2.gz DDADNECSPWWDTC-UHFFFAOYSA-N 1 2 421.545 1.781 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(Cc3ccccc3)c2CCC)CC1 ZINC000733148588 1075983609 /nfs/dbraw/zinc/98/36/09/1075983609.db2.gz DDADNECSPWWDTC-UHFFFAOYSA-N 1 2 421.545 1.781 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3nc(CC)c(CC)nc3c2)CC1 ZINC000733148506 1075983875 /nfs/dbraw/zinc/98/38/75/1075983875.db2.gz BICCCGNVXFDDAA-UHFFFAOYSA-N 1 2 407.518 1.652 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3nc(CC)c(CC)nc3c2)CC1 ZINC000733148506 1075983879 /nfs/dbraw/zinc/98/38/79/1075983879.db2.gz BICCCGNVXFDDAA-UHFFFAOYSA-N 1 2 407.518 1.652 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000733149029 1075984419 /nfs/dbraw/zinc/98/44/19/1075984419.db2.gz VPHXFMUKFGNNLO-UHFFFAOYSA-N 1 2 416.909 1.364 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000733149029 1075984424 /nfs/dbraw/zinc/98/44/24/1075984424.db2.gz VPHXFMUKFGNNLO-UHFFFAOYSA-N 1 2 416.909 1.364 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)NCCN3CC[NH+](CC)CC3)cc2[nH]c1=S ZINC000733162912 1075995379 /nfs/dbraw/zinc/99/53/79/1075995379.db2.gz XFDPHUBNHABNGL-UHFFFAOYSA-N 1 2 401.536 1.239 20 30 HDEDLO CO[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081960751 1076020508 /nfs/dbraw/zinc/02/05/08/1076020508.db2.gz PLKRINZCEHAIAR-WQNFENHCSA-N 1 2 400.906 1.930 20 30 HDEDLO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081960751 1076020515 /nfs/dbraw/zinc/02/05/15/1076020515.db2.gz PLKRINZCEHAIAR-WQNFENHCSA-N 1 2 400.906 1.930 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3CCOC)cc2[nH]c1=S ZINC000727859913 1076275140 /nfs/dbraw/zinc/27/51/40/1076275140.db2.gz IQKVRXYWSHFFIX-HNNXBMFYSA-N 1 2 402.520 1.712 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3CCOC)cc2[nH]c1=S ZINC000727859913 1076275145 /nfs/dbraw/zinc/27/51/45/1076275145.db2.gz IQKVRXYWSHFFIX-HNNXBMFYSA-N 1 2 402.520 1.712 20 30 HDEDLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)C2=O)c1 ZINC000728173635 1076365178 /nfs/dbraw/zinc/36/51/78/1076365178.db2.gz YDVPMFHIIXSCCT-QFIPXVFZSA-N 1 2 421.457 1.497 20 30 HDEDLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)C2=O)c1 ZINC000728173635 1076365188 /nfs/dbraw/zinc/36/51/88/1076365188.db2.gz YDVPMFHIIXSCCT-QFIPXVFZSA-N 1 2 421.457 1.497 20 30 HDEDLO CNC(=O)CC1SC(=Nc2ccc(C)cc2)N([C@@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000730137292 1076465803 /nfs/dbraw/zinc/46/58/03/1076465803.db2.gz DXOREOFOENAYOC-WMZOPIPTSA-N 1 2 417.579 1.699 20 30 HDEDLO CC(=O)Nc1cccc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2C2CC2)c1 ZINC000730139553 1076466816 /nfs/dbraw/zinc/46/68/16/1076466816.db2.gz ROXWNPHSPNVUJS-QGZVFWFLSA-N 1 2 417.535 1.807 20 30 HDEDLO CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCC[NH+](C)C)C(=O)N2C2CC2)c1 ZINC000730139553 1076466821 /nfs/dbraw/zinc/46/68/21/1076466821.db2.gz ROXWNPHSPNVUJS-QGZVFWFLSA-N 1 2 417.535 1.807 20 30 HDEDLO CNC(=O)CC1SC(=Nc2ccccc2)N([C@@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000730141400 1076467633 /nfs/dbraw/zinc/46/76/33/1076467633.db2.gz JUOIIHZYGAOWNX-RDJZCZTQSA-N 1 2 403.552 1.390 20 30 HDEDLO C#CCOc1cccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000731125042 1076733969 /nfs/dbraw/zinc/73/39/69/1076733969.db2.gz WDDULYDXYMQSAE-UHFFFAOYSA-N 1 2 424.476 1.715 20 30 HDEDLO C=CCNC(=O)c1cccnc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164707838 719868261 /nfs/dbraw/zinc/86/82/61/719868261.db2.gz VZFDXJPDTFIRDS-KKSFZXQISA-N 1 2 402.495 1.230 20 30 HDEDLO CC(C)c1ccc(C#N)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164705413 719937117 /nfs/dbraw/zinc/93/71/17/719937117.db2.gz YMWWBTBIALYOSZ-UHFFFAOYSA-N 1 2 407.522 1.760 20 30 HDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(Cl)cc3C#N)C2)C1 ZINC001164720109 720251377 /nfs/dbraw/zinc/25/13/77/720251377.db2.gz RLZXKHNUZNYNHB-GOSISDBHSA-N 1 2 412.321 1.925 20 30 HDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(Cl)cc3C#N)C2)C1 ZINC001164720109 720251385 /nfs/dbraw/zinc/25/13/85/720251385.db2.gz RLZXKHNUZNYNHB-GOSISDBHSA-N 1 2 412.321 1.925 20 30 HDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(Cl)cc3C#N)C2)C1 ZINC001164720113 720252099 /nfs/dbraw/zinc/25/20/99/720252099.db2.gz RLZXKHNUZNYNHB-SFHVURJKSA-N 1 2 412.321 1.925 20 30 HDEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(Cl)cc3C#N)C2)C1 ZINC001164720113 720252112 /nfs/dbraw/zinc/25/21/12/720252112.db2.gz RLZXKHNUZNYNHB-SFHVURJKSA-N 1 2 412.321 1.925 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)nc1C#N)C2 ZINC001164825349 720438246 /nfs/dbraw/zinc/43/82/46/720438246.db2.gz RJUOGJUEXLIQDX-AWEZNQCLSA-N 1 2 417.901 1.188 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(F)cc1C#N)C2 ZINC001164826318 720438256 /nfs/dbraw/zinc/43/82/56/720438256.db2.gz VSBVGAQLUWLVBO-MRXNPFEDSA-N 1 2 400.458 1.278 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(F)c1C#N)C2 ZINC001164832247 720459768 /nfs/dbraw/zinc/45/97/68/720459768.db2.gz RURCEFIDSINXMJ-HNNXBMFYSA-N 1 2 400.458 1.278 20 30 HDEDLO N#Cc1nc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912970 721773387 /nfs/dbraw/zinc/77/33/87/721773387.db2.gz SJJWDKSEEKVELM-IBGZPJMESA-N 1 2 400.870 1.504 20 30 HDEDLO N#Cc1nc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912970 721773388 /nfs/dbraw/zinc/77/33/88/721773388.db2.gz SJJWDKSEEKVELM-IBGZPJMESA-N 1 2 400.870 1.504 20 30 HDEDLO N#Cc1cc(C#N)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1Cl ZINC001164915218 721782026 /nfs/dbraw/zinc/78/20/26/721782026.db2.gz KLFRDUDULDXLQY-NRFANRHFSA-N 1 2 424.892 1.981 20 30 HDEDLO N#Cc1cc(C#N)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1Cl ZINC001164915218 721782031 /nfs/dbraw/zinc/78/20/31/721782031.db2.gz KLFRDUDULDXLQY-NRFANRHFSA-N 1 2 424.892 1.981 20 30 HDEDLO C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673785693 1073727019 /nfs/dbraw/zinc/72/70/19/1073727019.db2.gz XNEWAROMWNIICB-SFHVURJKSA-N 1 2 415.494 1.256 20 30 HDEDLO C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000673786975 1073740692 /nfs/dbraw/zinc/74/06/92/1073740692.db2.gz MJBBCPCYRFYYDW-UHFFFAOYSA-N 1 2 405.458 1.856 20 30 HDEDLO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1CCC#N ZINC000504871047 1074778163 /nfs/dbraw/zinc/77/81/63/1074778163.db2.gz RAPZTCGCOKTCOM-FUHWJXTLSA-N 1 2 416.432 1.884 20 30 HDEDLO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1CCC#N ZINC000504871047 1074778176 /nfs/dbraw/zinc/77/81/76/1074778176.db2.gz RAPZTCGCOKTCOM-FUHWJXTLSA-N 1 2 416.432 1.884 20 30 HDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000546594959 1075383267 /nfs/dbraw/zinc/38/32/67/1075383267.db2.gz OTVVJQYJYJABAE-GOSISDBHSA-N 1 2 415.457 1.689 20 30 HDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000546594959 1075383278 /nfs/dbraw/zinc/38/32/78/1075383278.db2.gz OTVVJQYJYJABAE-GOSISDBHSA-N 1 2 415.457 1.689 20 30 HDEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428810082 1075690225 /nfs/dbraw/zinc/69/02/25/1075690225.db2.gz XHCOBOAANHWSBC-WMLDXEAASA-N 1 2 402.462 2.100 20 30 HDEDLO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428810082 1075690229 /nfs/dbraw/zinc/69/02/29/1075690229.db2.gz XHCOBOAANHWSBC-WMLDXEAASA-N 1 2 402.462 2.100 20 30 HDEDLO N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nc1N ZINC000591886545 1075749988 /nfs/dbraw/zinc/74/99/88/1075749988.db2.gz GZSMQHDHOQHJPT-UHFFFAOYSA-N 1 2 408.487 1.970 20 30 HDEDLO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)n1 ZINC000542083443 1075787782 /nfs/dbraw/zinc/78/77/82/1075787782.db2.gz BIHJTFKCPWVTKO-UHFFFAOYSA-N 1 2 409.837 1.959 20 30 HDEDLO N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1 ZINC000732797278 1075860441 /nfs/dbraw/zinc/86/04/41/1075860441.db2.gz GKVXXVKRZHBGBU-IBGZPJMESA-N 1 2 409.490 1.757 20 30 HDEDLO N#Cc1ccc(CN2C(=O)CN(C[N@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1 ZINC000732797278 1075860446 /nfs/dbraw/zinc/86/04/46/1075860446.db2.gz GKVXXVKRZHBGBU-IBGZPJMESA-N 1 2 409.490 1.757 20 30 HDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1C(F)(F)F ZINC000611540795 1075954862 /nfs/dbraw/zinc/95/48/62/1075954862.db2.gz YOIMCXLAKBIEFW-CVEARBPZSA-N 1 2 403.426 1.797 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)COc2ccccc2Cc2ccccc2)CC1 ZINC000733148925 1075983616 /nfs/dbraw/zinc/98/36/16/1075983616.db2.gz OTOGZBRCRVVNRI-UHFFFAOYSA-N 1 2 419.525 1.940 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)COc2ccccc2Cc2ccccc2)CC1 ZINC000733148925 1075983620 /nfs/dbraw/zinc/98/36/20/1075983620.db2.gz OTOGZBRCRVVNRI-UHFFFAOYSA-N 1 2 419.525 1.940 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000733150844 1075986304 /nfs/dbraw/zinc/98/63/04/1075986304.db2.gz XQEOPTPZVXSUKV-UHFFFAOYSA-N 1 2 414.893 1.821 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000733150844 1075986305 /nfs/dbraw/zinc/98/63/05/1075986305.db2.gz XQEOPTPZVXSUKV-UHFFFAOYSA-N 1 2 414.893 1.821 20 30 HDEDLO C[C@H](ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C(=O)NCCc1ccccc1 ZINC000733306066 1076034065 /nfs/dbraw/zinc/03/40/65/1076034065.db2.gz LSXJNOHEEUYSDA-SFHVURJKSA-N 1 2 410.518 1.903 20 30 HDEDLO Cn1cc(N2CC[C@@H](O[NH+]=C(N)c3ccc(OCc4cccnc4)cc3)C2=O)cn1 ZINC000733305397 1076034362 /nfs/dbraw/zinc/03/43/62/1076034362.db2.gz CBNDHCPHTBBNGV-LJQANCHMSA-N 1 2 406.446 1.837 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2[nH]c1=S ZINC000730086707 1076440644 /nfs/dbraw/zinc/44/06/44/1076440644.db2.gz PLACUTPDOMFLJN-MSOLQXFVSA-N 1 2 414.531 1.542 20 30 HDEDLO CCc1ccccc1N=C1SC(CC(=O)NCC[NH+](C)C)C(=O)N1CCOC ZINC000730140103 1076467597 /nfs/dbraw/zinc/46/75/97/1076467597.db2.gz UQPCUAYBBSBXGB-QGZVFWFLSA-N 1 2 406.552 1.895 20 30 HDEDLO CCc1ccccc1N=C1S[C@H](CC(=O)NCC[NH+](C)C)C(=O)N1CCOC ZINC000730140103 1076467600 /nfs/dbraw/zinc/46/76/00/1076467600.db2.gz UQPCUAYBBSBXGB-QGZVFWFLSA-N 1 2 406.552 1.895 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC2CCC2)C1=O ZINC000730143437 1076468750 /nfs/dbraw/zinc/46/87/50/1076468750.db2.gz BOBGHIMHKOGWKD-YQMDHOPXSA-N 1 2 417.579 1.792 20 30 HDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1C ZINC000730569869 1076604876 /nfs/dbraw/zinc/60/48/76/1076604876.db2.gz AWBCRPVESXCTSA-KRWDZBQOSA-N 1 2 407.540 1.055 20 30 HDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1C ZINC000730569869 1076604884 /nfs/dbraw/zinc/60/48/84/1076604884.db2.gz AWBCRPVESXCTSA-KRWDZBQOSA-N 1 2 407.540 1.055 20 30 HDEDLO C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000731122845 1076726484 /nfs/dbraw/zinc/72/64/84/1076726484.db2.gz PZBGOXDXYXMGDS-OAQYLSRUSA-N 1 2 407.470 1.654 20 30 HDEDLO C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000731122845 1076726492 /nfs/dbraw/zinc/72/64/92/1076726492.db2.gz PZBGOXDXYXMGDS-OAQYLSRUSA-N 1 2 407.470 1.654 20 30 HDEDLO C#CCOc1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)c1 ZINC000731127192 1076734774 /nfs/dbraw/zinc/73/47/74/1076734774.db2.gz XZRJWFBWXWZVOB-UHFFFAOYSA-N 1 2 414.506 1.040 20 30 HDEDLO C#CCOc1cccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)c1 ZINC000731127192 1076734781 /nfs/dbraw/zinc/73/47/81/1076734781.db2.gz XZRJWFBWXWZVOB-UHFFFAOYSA-N 1 2 414.506 1.040 20 30 HDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)c(C#N)cc3C#N)CC2)C1=O ZINC001164635398 719274480 /nfs/dbraw/zinc/27/44/80/719274480.db2.gz QHVQLSLHXUARFF-UHFFFAOYSA-N 1 2 402.886 1.238 20 30 HDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)c(C#N)cc3C#N)CC2)C1=O ZINC001164635398 719274482 /nfs/dbraw/zinc/27/44/82/719274482.db2.gz QHVQLSLHXUARFF-UHFFFAOYSA-N 1 2 402.886 1.238 20 30 HDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(cc1C#N)COCC2 ZINC001164707648 719874691 /nfs/dbraw/zinc/87/46/91/719874691.db2.gz UXEBWVKYZHGPHW-LAUBAEHRSA-N 1 2 400.479 1.259 20 30 HDEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946837 721972880 /nfs/dbraw/zinc/97/28/80/721972880.db2.gz WVZAKUBOQBQDOK-UHFFFAOYSA-N 1 2 406.446 1.832 20 30 HDEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946837 721972882 /nfs/dbraw/zinc/97/28/82/721972882.db2.gz WVZAKUBOQBQDOK-UHFFFAOYSA-N 1 2 406.446 1.832 20 30 HDEDLO C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673785692 1073726854 /nfs/dbraw/zinc/72/68/54/1073726854.db2.gz XNEWAROMWNIICB-GOSISDBHSA-N 1 2 415.494 1.256 20 30 HDEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000435251278 1074701293 /nfs/dbraw/zinc/70/12/93/1074701293.db2.gz FQQLGMJUXXLHHX-UHFFFAOYSA-N 1 2 409.494 2.213 20 30 HDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)c1 ZINC000731531819 1075377588 /nfs/dbraw/zinc/37/75/88/1075377588.db2.gz UMUKSOPCVBZTCE-LJQANCHMSA-N 1 2 406.442 1.416 20 30 HDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)c1 ZINC000731531819 1075377593 /nfs/dbraw/zinc/37/75/93/1075377593.db2.gz UMUKSOPCVBZTCE-LJQANCHMSA-N 1 2 406.442 1.416 20 30 HDEDLO C#CCN(C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000732062064 1075599319 /nfs/dbraw/zinc/59/93/19/1075599319.db2.gz OVWJZHAXBHGJDC-RXVVDRJESA-N 1 2 402.560 1.979 20 30 HDEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000540452171 1075659194 /nfs/dbraw/zinc/65/91/94/1075659194.db2.gz ADRQDONNJCSDPF-UHFFFAOYSA-N 1 2 420.477 1.794 20 30 HDEDLO CC[C@H](c1nnc(Sc2ccc(C#N)nn2)n1CCN1CCOCC1)[NH+](C)C ZINC000611239268 1075881894 /nfs/dbraw/zinc/88/18/94/1075881894.db2.gz GKKWRZBJXOQFOK-OAHLLOKOSA-N 1 2 402.528 1.436 20 30 HDEDLO N#CCOc1ccccc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732915032 1075912587 /nfs/dbraw/zinc/91/25/87/1075912587.db2.gz CBOBWWIITMYULT-QGZVFWFLSA-N 1 2 422.489 1.614 20 30 HDEDLO N#CCOc1ccccc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732915032 1075912589 /nfs/dbraw/zinc/91/25/89/1075912589.db2.gz CBOBWWIITMYULT-QGZVFWFLSA-N 1 2 422.489 1.614 20 30 HDEDLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552355 1075962748 /nfs/dbraw/zinc/96/27/48/1075962748.db2.gz WLZWDVXUICZOFA-SUMDDJOVSA-N 1 2 401.486 1.120 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1 ZINC000733148720 1075983648 /nfs/dbraw/zinc/98/36/48/1075983648.db2.gz JIHFRWRMZODSGE-UHFFFAOYSA-N 1 2 405.502 1.647 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1 ZINC000733148720 1075983652 /nfs/dbraw/zinc/98/36/52/1075983652.db2.gz 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721794484 /nfs/dbraw/zinc/79/44/84/721794484.db2.gz XUBNFMLXMCHULW-QHCPKHFHSA-N 1 2 405.502 1.945 20 30 HDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(OC)c1 ZINC000674469168 1074366674 /nfs/dbraw/zinc/36/66/74/1074366674.db2.gz CJBGVFFYKVLMNV-DLBZAZTESA-N 1 2 403.479 1.132 20 30 HDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(OC)c1 ZINC000674469168 1074366684 /nfs/dbraw/zinc/36/66/84/1074366684.db2.gz CJBGVFFYKVLMNV-DLBZAZTESA-N 1 2 403.479 1.132 20 30 HDEDLO CC(C)n1cc(C#N)c(NC(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)n1 ZINC000439609289 1074707551 /nfs/dbraw/zinc/70/75/51/1074707551.db2.gz ACCIILUCRDBKNI-OAHLLOKOSA-N 1 2 410.478 2.306 20 30 HDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)Cn2c(=O)onc2-c2ccccc2)c1 ZINC000731531818 1075377356 /nfs/dbraw/zinc/37/73/56/1075377356.db2.gz UMUKSOPCVBZTCE-IBGZPJMESA-N 1 2 406.442 1.416 20 30 HDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)Cn2c(=O)onc2-c2ccccc2)c1 ZINC000731531818 1075377365 /nfs/dbraw/zinc/37/73/65/1075377365.db2.gz UMUKSOPCVBZTCE-IBGZPJMESA-N 1 2 406.442 1.416 20 30 HDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000731847014 1075531088 /nfs/dbraw/zinc/53/10/88/1075531088.db2.gz RHKNLVNQMCXUQW-KRWDZBQOSA-N 1 2 423.473 1.031 20 30 HDEDLO C#CCN(C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000732062063 1075599281 /nfs/dbraw/zinc/59/92/81/1075599281.db2.gz OVWJZHAXBHGJDC-NQIIRXRSSA-N 1 2 402.560 1.979 20 30 HDEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(c3nc(N)n[nH]3)CC2)c1C#N ZINC000590601231 1075728581 /nfs/dbraw/zinc/72/85/81/1075728581.db2.gz QYIRUVBDXHMYCW-UHFFFAOYSA-N 1 2 422.493 2.136 20 30 HDEDLO N#Cc1ccc(NCCNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)nc1 ZINC000732445528 1075747135 /nfs/dbraw/zinc/74/71/35/1075747135.db2.gz MOARXDOSFBEIGM-FQEVSTJZSA-N 1 2 408.506 1.608 20 30 HDEDLO N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000611073721 1075825185 /nfs/dbraw/zinc/82/51/85/1075825185.db2.gz 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HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000733148911 1075983095 /nfs/dbraw/zinc/98/30/95/1075983095.db2.gz NWAMHOCNWQCHQU-UHFFFAOYSA-N 1 2 420.554 1.307 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2nc(-c3ccsc3)oc2C)CC1 ZINC000733149267 1075985500 /nfs/dbraw/zinc/98/55/00/1075985500.db2.gz CEIRWLGEWRISKD-UHFFFAOYSA-N 1 2 400.504 1.538 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2nc(-c3ccsc3)oc2C)CC1 ZINC000733149267 1075985504 /nfs/dbraw/zinc/98/55/04/1075985504.db2.gz CEIRWLGEWRISKD-UHFFFAOYSA-N 1 2 400.504 1.538 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(-c3cccc(C)c3)n2)CC1 ZINC000733150442 1075986624 /nfs/dbraw/zinc/98/66/24/1075986624.db2.gz JTZJDGWGPKNGFW-UHFFFAOYSA-N 1 2 410.543 1.945 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(-c3cccc(C)c3)n2)CC1 ZINC000733150442 1075986627 /nfs/dbraw/zinc/98/66/27/1075986627.db2.gz JTZJDGWGPKNGFW-UHFFFAOYSA-N 1 2 410.543 1.945 20 30 HDEDLO CN(CC[NH+]1CCOCC1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000727106113 1076052556 /nfs/dbraw/zinc/05/25/56/1076052556.db2.gz ISQGQZFRICOQBS-UHFFFAOYSA-N 1 2 422.551 1.076 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000733364598 1076054062 /nfs/dbraw/zinc/05/40/62/1076054062.db2.gz NCJACFBWYZHPFD-UHFFFAOYSA-N 1 2 405.498 1.206 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000733364598 1076054068 /nfs/dbraw/zinc/05/40/68/1076054068.db2.gz NCJACFBWYZHPFD-UHFFFAOYSA-N 1 2 405.498 1.206 20 30 HDEDLO O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(n2cc[nH+]c2)C1 ZINC000733983924 1076283280 /nfs/dbraw/zinc/28/32/80/1076283280.db2.gz RJTIKNVBFDSZDK-UHFFFAOYSA-N 1 2 401.492 1.566 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2[nH]c1=S ZINC000730086710 1076440611 /nfs/dbraw/zinc/44/06/11/1076440611.db2.gz PLACUTPDOMFLJN-ZWKOTPCHSA-N 1 2 414.531 1.542 20 30 HDEDLO COc1ccc(OC)c(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2C2CC2)c1 ZINC000730144845 1076469191 /nfs/dbraw/zinc/46/91/91/1076469191.db2.gz SBPHZPDNGHPWDW-KRWDZBQOSA-N 1 2 420.535 1.866 20 30 HDEDLO COc1ccc(OC)c(N=C2S[C@@H](CC(=O)NCC[NH+](C)C)C(=O)N2C2CC2)c1 ZINC000730144845 1076469198 /nfs/dbraw/zinc/46/91/98/1076469198.db2.gz SBPHZPDNGHPWDW-KRWDZBQOSA-N 1 2 420.535 1.866 20 30 HDEDLO C[NH+](C)CCNC(=O)CC1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O ZINC000730713714 1076642250 /nfs/dbraw/zinc/64/22/50/1076642250.db2.gz PTXXCBZOPWPZCR-INIZCTEOSA-N 1 2 401.492 1.874 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O ZINC000730713714 1076642255 /nfs/dbraw/zinc/64/22/55/1076642255.db2.gz PTXXCBZOPWPZCR-INIZCTEOSA-N 1 2 401.492 1.874 20 30 HDEDLO C=CCNC(=O)c1cccnc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164707836 719868192 /nfs/dbraw/zinc/86/81/92/719868192.db2.gz VZFDXJPDTFIRDS-IERDGZPVSA-N 1 2 402.495 1.230 20 30 HDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3[nH]c(C#N)cc3n1)CC2 ZINC001164708991 719921795 /nfs/dbraw/zinc/92/17/95/719921795.db2.gz WBGYSVUYAJDNGZ-UHFFFAOYSA-N 1 2 404.478 1.118 20 30 HDEDLO N#Cc1cc(Cl)nnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912787 721774943 /nfs/dbraw/zinc/77/49/43/721774943.db2.gz PVZGXPXMMBQRHD-LJQANCHMSA-N 1 2 400.870 1.504 20 30 HDEDLO N#Cc1cc(Cl)nnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912787 721774945 /nfs/dbraw/zinc/77/49/45/721774945.db2.gz PVZGXPXMMBQRHD-LJQANCHMSA-N 1 2 400.870 1.504 20 30 HDEDLO N#Cc1c[nH]c2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc12 ZINC001164916287 721791237 /nfs/dbraw/zinc/79/12/37/721791237.db2.gz PKDQFPBJIADVRU-OAQYLSRUSA-N 1 2 405.462 1.332 20 30 HDEDLO N#Cc1c[nH]c2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc12 ZINC001164916287 721791240 /nfs/dbraw/zinc/79/12/40/721791240.db2.gz PKDQFPBJIADVRU-OAQYLSRUSA-N 1 2 405.462 1.332 20 30 HDEDLO C=CCNC(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914016 721794228 /nfs/dbraw/zinc/79/42/28/721794228.db2.gz KASYJIROJSECSG-HSZRJFAPSA-N 1 2 423.517 1.500 20 30 HDEDLO C=CCNC(=O)c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914016 721794230 /nfs/dbraw/zinc/79/42/30/721794230.db2.gz KASYJIROJSECSG-HSZRJFAPSA-N 1 2 423.517 1.500 20 30 HDEDLO COC(=O)c1cc(C#N)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914982 721799228 /nfs/dbraw/zinc/79/92/28/721799228.db2.gz SOWXEPHYPBJBPL-JOCHJYFZSA-N 1 2 423.473 1.243 20 30 HDEDLO COC(=O)c1cc(C#N)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914982 721799231 /nfs/dbraw/zinc/79/92/31/721799231.db2.gz SOWXEPHYPBJBPL-JOCHJYFZSA-N 1 2 423.473 1.243 20 30 HDEDLO CCc1nc(C#N)c(C#N)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915282 721800095 /nfs/dbraw/zinc/80/00/95/721800095.db2.gz VMBNRWZBTOPURR-JOCHJYFZSA-N 1 2 419.489 1.285 20 30 HDEDLO CCc1nc(C#N)c(C#N)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915282 721800096 /nfs/dbraw/zinc/80/00/96/721800096.db2.gz VMBNRWZBTOPURR-JOCHJYFZSA-N 1 2 419.489 1.285 20 30 HDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000446700062 1075384475 /nfs/dbraw/zinc/38/44/75/1075384475.db2.gz FHUMSJKATWSJNG-UHFFFAOYSA-N 1 2 412.413 2.210 20 30 HDEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731650517 1075435782 /nfs/dbraw/zinc/43/57/82/1075435782.db2.gz QBXZKMOSULZWDI-UHFFFAOYSA-N 1 2 404.492 1.489 20 30 HDEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000731754526 1075510396 /nfs/dbraw/zinc/51/03/96/1075510396.db2.gz ODQZDNOIVIMVST-UHFFFAOYSA-N 1 2 416.450 1.790 20 30 HDEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@H+]2CCC[C@H]2c2ccc(OCC)cc2)c1=O ZINC000732526481 1075780796 /nfs/dbraw/zinc/78/07/96/1075780796.db2.gz GSSQKKGTQBBIOW-IBGZPJMESA-N 1 2 412.490 1.737 20 30 HDEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[N@@H+]2CCC[C@H]2c2ccc(OCC)cc2)c1=O ZINC000732526481 1075780798 /nfs/dbraw/zinc/78/07/98/1075780798.db2.gz GSSQKKGTQBBIOW-IBGZPJMESA-N 1 2 412.490 1.737 20 30 HDEDLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553118 1075963067 /nfs/dbraw/zinc/96/30/67/1075963067.db2.gz RHBGFTMTVJYQKF-KXBFYZLASA-N 1 2 401.486 1.120 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)CC1 ZINC000733148946 1075983631 /nfs/dbraw/zinc/98/36/31/1075983631.db2.gz QIGVVJNXTWSWDO-OAHLLOKOSA-N 1 2 411.424 1.756 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)CC1 ZINC000733148946 1075983632 /nfs/dbraw/zinc/98/36/32/1075983632.db2.gz QIGVVJNXTWSWDO-OAHLLOKOSA-N 1 2 411.424 1.756 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000733150071 1075986682 /nfs/dbraw/zinc/98/66/82/1075986682.db2.gz ADIOJLRYOUFPKI-UHFFFAOYSA-N 1 2 411.424 1.802 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000733150071 1075986687 /nfs/dbraw/zinc/98/66/87/1075986687.db2.gz ADIOJLRYOUFPKI-UHFFFAOYSA-N 1 2 411.424 1.802 20 30 HDEDLO C[C@@H](ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C(=O)NCCc1ccccc1 ZINC000733306065 1076034018 /nfs/dbraw/zinc/03/40/18/1076034018.db2.gz LSXJNOHEEUYSDA-GOSISDBHSA-N 1 2 410.518 1.903 20 30 HDEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000733803200 1076209626 /nfs/dbraw/zinc/20/96/26/1076209626.db2.gz VPFGOADFJSGLFR-GOSISDBHSA-N 1 2 422.551 1.676 20 30 HDEDLO C[C@@H](ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C(=O)NCc1ccccc1F ZINC000734092628 1076303958 /nfs/dbraw/zinc/30/39/58/1076303958.db2.gz VWOMBRIKJBEQID-MRXNPFEDSA-N 1 2 414.481 2.000 20 30 HDEDLO CNC(=O)CC1SC(=Nc2ccccc2C)N([C@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000730139696 1076466784 /nfs/dbraw/zinc/46/67/84/1076466784.db2.gz ILAHKMYFMCUBFE-SJLPKXTDSA-N 1 2 417.579 1.699 20 30 HDEDLO COc1ccc(OC)c(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2C2CC2)c1 ZINC000730144846 1076469108 /nfs/dbraw/zinc/46/91/08/1076469108.db2.gz SBPHZPDNGHPWDW-QGZVFWFLSA-N 1 2 420.535 1.866 20 30 HDEDLO COc1ccc(OC)c(N=C2S[C@H](CC(=O)NCC[NH+](C)C)C(=O)N2C2CC2)c1 ZINC000730144846 1076469114 /nfs/dbraw/zinc/46/91/14/1076469114.db2.gz SBPHZPDNGHPWDW-QGZVFWFLSA-N 1 2 420.535 1.866 20 30 HDEDLO C#Cc1cccc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2CCOCC)c1 ZINC000730144003 1076469154 /nfs/dbraw/zinc/46/91/54/1076469154.db2.gz GPRVEDXUGCLWEC-SFHVURJKSA-N 1 2 416.547 1.704 20 30 HDEDLO C#Cc1cccc(N=C2S[C@@H](CC(=O)NCC[NH+](C)C)C(=O)N2CCOCC)c1 ZINC000730144003 1076469163 /nfs/dbraw/zinc/46/91/63/1076469163.db2.gz GPRVEDXUGCLWEC-SFHVURJKSA-N 1 2 416.547 1.704 20 30 HDEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc(C#N)c(C)n4)CC3)C2=O)cs1 ZINC001164819339 720376156 /nfs/dbraw/zinc/37/61/56/720376156.db2.gz DCPBKWHJXYNYNK-UHFFFAOYSA-N 1 2 411.535 1.735 20 30 HDEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc(C#N)c(C)n4)CC3)C2=O)cs1 ZINC001164819339 720376164 /nfs/dbraw/zinc/37/61/64/720376164.db2.gz DCPBKWHJXYNYNK-UHFFFAOYSA-N 1 2 411.535 1.735 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C#N)cc(Cl)n1)C2 ZINC001164829041 720427911 /nfs/dbraw/zinc/42/79/11/720427911.db2.gz ZDDFKCKDIJFWDK-INIZCTEOSA-N 1 2 416.913 1.793 20 30 HDEDLO COc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncc1C#N ZINC001164828968 720429450 /nfs/dbraw/zinc/42/94/50/720429450.db2.gz YNFJYKHQQKAJML-KRWDZBQOSA-N 1 2 412.494 1.148 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(C#N)cc1C#N)C2 ZINC001164825216 720442764 /nfs/dbraw/zinc/44/27/64/720442764.db2.gz QNCSKDZDEDXJPL-SFHVURJKSA-N 1 2 407.478 1.011 20 30 HDEDLO C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001004816749 1073867682 /nfs/dbraw/zinc/86/76/82/1073867682.db2.gz JWQJYJITKPKZPW-ONUIULTDSA-N 1 2 402.498 1.996 20 30 HDEDLO N#C[C@@H](c1nc2ccccc2nc1-n1cnc(C[NH3+])n1)S(=O)(=O)c1ccc(F)cc1 ZINC001168750118 1073986306 /nfs/dbraw/zinc/98/63/06/1073986306.db2.gz KDTKTCNSVSLICP-INIZCTEOSA-N 1 2 423.433 1.847 20 30 HDEDLO CCOC(=O)c1sc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)nc1C ZINC000543542947 1074051170 /nfs/dbraw/zinc/05/11/70/1074051170.db2.gz QNUSDIDPVMODTA-HOTGVXAUSA-N 1 2 421.567 1.971 20 30 HDEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446784300 1075694103 /nfs/dbraw/zinc/69/41/03/1075694103.db2.gz INNKBGIJQFVNIO-UHFFFAOYSA-N 1 2 403.527 1.749 20 30 HDEDLO C[C@@H](c1cccc(NC(=O)NCCNC(=O)C2N=CC=CC2=O)c1)[NH+]1CCOCC1 ZINC000732434231 1075744074 /nfs/dbraw/zinc/74/40/74/1075744074.db2.gz ZUGQLOZKBFLPJC-DNTCVELPSA-N 1 2 413.478 1.728 20 30 HDEDLO N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n1 ZINC000439174633 1075772785 /nfs/dbraw/zinc/77/27/85/1075772785.db2.gz YBHCBYQXIFTGIC-IEBWSBKVSA-N 1 2 403.446 1.977 20 30 HDEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NC2CCN(CC#N)CC2)c2ccc(Cl)cc2)C1 ZINC000611225536 1075881196 /nfs/dbraw/zinc/88/11/96/1075881196.db2.gz VWSQHPXGVVXBND-OALUTQOASA-N 1 2 405.930 1.999 20 30 HDEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NC2CCN(CC#N)CC2)c2ccc(Cl)cc2)C1 ZINC000611225536 1075881202 /nfs/dbraw/zinc/88/12/02/1075881202.db2.gz VWSQHPXGVVXBND-OALUTQOASA-N 1 2 405.930 1.999 20 30 HDEDLO C#CCNC(=O)c1ccc(N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nc1 ZINC000732918031 1075914078 /nfs/dbraw/zinc/91/40/78/1075914078.db2.gz ZGGDRWRVTSBCBD-SFHVURJKSA-N 1 2 421.505 1.152 20 30 HDEDLO C#CCNC(=O)c1ccc(N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nc1 ZINC000732918031 1075914079 /nfs/dbraw/zinc/91/40/79/1075914079.db2.gz ZGGDRWRVTSBCBD-SFHVURJKSA-N 1 2 421.505 1.152 20 30 HDEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000611540568 1075956548 /nfs/dbraw/zinc/95/65/48/1075956548.db2.gz CQHSFZZCXZYZDN-HZPDHXFCSA-N 1 2 414.325 1.540 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(NC(=O)NCCC)cc2)CC1 ZINC000733149007 1075983917 /nfs/dbraw/zinc/98/39/17/1075983917.db2.gz UIJLLTPQCRJLCN-UHFFFAOYSA-N 1 2 413.522 1.044 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(NC(=O)NCCC)cc2)CC1 ZINC000733149007 1075983922 /nfs/dbraw/zinc/98/39/22/1075983922.db2.gz UIJLLTPQCRJLCN-UHFFFAOYSA-N 1 2 413.522 1.044 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000733148644 1075983932 /nfs/dbraw/zinc/98/39/32/1075983932.db2.gz GSRPYRVMSKIJFF-UHFFFAOYSA-N 1 2 402.545 1.698 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000733148644 1075983936 /nfs/dbraw/zinc/98/39/36/1075983936.db2.gz GSRPYRVMSKIJFF-UHFFFAOYSA-N 1 2 402.545 1.698 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@](C)(CCC)NC(=O)OC(C)(C)C)CC1 ZINC000733149932 1075984349 /nfs/dbraw/zinc/98/43/49/1075984349.db2.gz YSEFOYOMJKXUIZ-OAQYLSRUSA-N 1 2 408.543 1.354 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@](C)(CCC)NC(=O)OC(C)(C)C)CC1 ZINC000733149932 1075984351 /nfs/dbraw/zinc/98/43/51/1075984351.db2.gz YSEFOYOMJKXUIZ-OAQYLSRUSA-N 1 2 408.543 1.354 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 ZINC000733149054 1075984406 /nfs/dbraw/zinc/98/44/06/1075984406.db2.gz WPNWHMYWFNEOCU-UHFFFAOYSA-N 1 2 400.504 1.018 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 ZINC000733149054 1075984408 /nfs/dbraw/zinc/98/44/08/1075984408.db2.gz WPNWHMYWFNEOCU-UHFFFAOYSA-N 1 2 400.504 1.018 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000733149774 1075984784 /nfs/dbraw/zinc/98/47/84/1075984784.db2.gz QQAQVYURLVHAHY-UHFFFAOYSA-N 1 2 422.279 1.075 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000733149774 1075984788 /nfs/dbraw/zinc/98/47/88/1075984788.db2.gz QQAQVYURLVHAHY-UHFFFAOYSA-N 1 2 422.279 1.075 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)CC1 ZINC000733149473 1075985078 /nfs/dbraw/zinc/98/50/78/1075985078.db2.gz HFVOCHQRIPTZRZ-UHFFFAOYSA-N 1 2 404.417 1.667 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)CC1 ZINC000733149473 1075985081 /nfs/dbraw/zinc/98/50/81/1075985081.db2.gz HFVOCHQRIPTZRZ-UHFFFAOYSA-N 1 2 404.417 1.667 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 ZINC000733150236 1075986604 /nfs/dbraw/zinc/98/66/04/1075986604.db2.gz FQLPRTDFYVISMV-CQSZACIVSA-N 1 2 400.504 1.017 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 ZINC000733150236 1075986608 /nfs/dbraw/zinc/98/66/08/1075986608.db2.gz FQLPRTDFYVISMV-CQSZACIVSA-N 1 2 400.504 1.017 20 30 HDEDLO CCS(=O)(=O)C=C(C)NNc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000733745839 1076196712 /nfs/dbraw/zinc/19/67/12/1076196712.db2.gz BRAUTDUAKJFDTC-OKILXGFUSA-N 1 2 416.569 1.971 20 30 HDEDLO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065705249 1076256560 /nfs/dbraw/zinc/25/65/60/1076256560.db2.gz XNFCFDHCHVAVDC-KKEPMVJESA-N 1 2 401.551 1.757 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)cc2[nH]c1=S ZINC000733976426 1076280792 /nfs/dbraw/zinc/28/07/92/1076280792.db2.gz CDRFFKGKEXSRJW-CQSZACIVSA-N 1 2 401.536 1.237 20 30 HDEDLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCc3ccc(OCC#N)cc3)c2)CC1 ZINC000727947688 1076293409 /nfs/dbraw/zinc/29/34/09/1076293409.db2.gz PLALPTJPAWAUEJ-UHFFFAOYSA-N 1 2 421.501 1.591 20 30 HDEDLO C[NH+](C)CCNC(=O)CC1SC(=Nc2ccc(C(N)=O)cc2)N(C2CCC2)C1=O ZINC000730463634 1076579296 /nfs/dbraw/zinc/57/92/96/1076579296.db2.gz ZIEBJJRJSNJOPA-INIZCTEOSA-N 1 2 417.535 1.337 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C2CCC2)C1=O ZINC000730463634 1076579314 /nfs/dbraw/zinc/57/93/14/1076579314.db2.gz ZIEBJJRJSNJOPA-INIZCTEOSA-N 1 2 417.535 1.337 20 30 HDEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(OC3CCC(C)CC3)CC2)c1=O ZINC000731027337 1076713294 /nfs/dbraw/zinc/71/32/94/1076713294.db2.gz SVTYYQGMSNLGDI-UHFFFAOYSA-N 1 2 418.538 1.561 20 30 HDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000731031548 1076714369 /nfs/dbraw/zinc/71/43/69/1076714369.db2.gz WXWWJPJYZGVBPW-OAHLLOKOSA-N 1 2 404.536 1.697 20 30 HDEDLO C#CCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000731125100 1076733986 /nfs/dbraw/zinc/73/39/86/1076733986.db2.gz XYLRYGGAMDVQCX-UHFFFAOYSA-N 1 2 406.486 1.576 20 30 HDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(SC)nc(Cl)c3C#N)CC2)C1=O ZINC001164636076 719267040 /nfs/dbraw/zinc/26/70/40/719267040.db2.gz JDSLWDRHNPBPMS-UHFFFAOYSA-N 1 2 424.958 1.483 20 30 HDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(SC)nc(Cl)c3C#N)CC2)C1=O ZINC001164636076 719267042 /nfs/dbraw/zinc/26/70/42/719267042.db2.gz JDSLWDRHNPBPMS-UHFFFAOYSA-N 1 2 424.958 1.483 20 30 HDEDLO C=CCOc1cc(C)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708723 719909304 /nfs/dbraw/zinc/90/93/04/719909304.db2.gz IVEXZPYFRBASFV-UHFFFAOYSA-N 1 2 411.510 1.034 20 30 HDEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C#N)nc(C)n4)CC3)C2=O)cs1 ZINC001164826967 720384335 /nfs/dbraw/zinc/38/43/35/720384335.db2.gz ZGVXCJHZGSYHFG-UHFFFAOYSA-N 1 2 411.535 1.735 20 30 HDEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C#N)nc(C)n4)CC3)C2=O)cs1 ZINC001164826967 720384339 /nfs/dbraw/zinc/38/43/39/720384339.db2.gz ZGVXCJHZGSYHFG-UHFFFAOYSA-N 1 2 411.535 1.735 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(Cl)c(C#N)n1)C2 ZINC001164824609 720435133 /nfs/dbraw/zinc/43/51/33/720435133.db2.gz ODCFHHHEQHELRT-OAHLLOKOSA-N 1 2 416.913 1.793 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(C#N)cc1C#N)C2 ZINC001164825205 720442825 /nfs/dbraw/zinc/44/28/25/720442825.db2.gz QNCSKDZDEDXJPL-GOSISDBHSA-N 1 2 407.478 1.011 20 30 HDEDLO N#Cc1cc2c(nc1N1CCO[C@@]3(C1)COCC[N@H+](Cc1cccnc1)C3)CCOC2 ZINC001164913529 721798287 /nfs/dbraw/zinc/79/82/87/721798287.db2.gz FDDSLATXTFINLW-QHCPKHFHSA-N 1 2 421.501 1.529 20 30 HDEDLO N#Cc1cc2c(nc1N1CCO[C@@]3(C1)COCC[N@@H+](Cc1cccnc1)C3)CCOC2 ZINC001164913529 721798291 /nfs/dbraw/zinc/79/82/91/721798291.db2.gz FDDSLATXTFINLW-QHCPKHFHSA-N 1 2 421.501 1.529 20 30 HDEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000543530031 1074020145 /nfs/dbraw/zinc/02/01/45/1074020145.db2.gz YZHAXTDWZCHBPI-UHFFFAOYSA-N 1 2 409.446 1.129 20 30 HDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(OC)c1 ZINC000674469174 1074367022 /nfs/dbraw/zinc/36/70/22/1074367022.db2.gz CJBGVFFYKVLMNV-SJORKVTESA-N 1 2 403.479 1.132 20 30 HDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(OC)c1 ZINC000674469174 1074367026 /nfs/dbraw/zinc/36/70/26/1074367026.db2.gz CJBGVFFYKVLMNV-SJORKVTESA-N 1 2 403.479 1.132 20 30 HDEDLO Cc1cc(NC(=O)N2CCC[C@@H]([N@H+](C)Cc3noc(C)n3)CC2)nn1CCC#N ZINC000432281621 1075153010 /nfs/dbraw/zinc/15/30/10/1075153010.db2.gz FXDRSVWXSYEXBO-MRXNPFEDSA-N 1 2 400.487 2.315 20 30 HDEDLO Cc1cc(NC(=O)N2CCC[C@@H]([N@@H+](C)Cc3noc(C)n3)CC2)nn1CCC#N ZINC000432281621 1075153015 /nfs/dbraw/zinc/15/30/15/1075153015.db2.gz FXDRSVWXSYEXBO-MRXNPFEDSA-N 1 2 400.487 2.315 20 30 HDEDLO CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCCSCC#N)CC2)cc1 ZINC000466730279 1075546163 /nfs/dbraw/zinc/54/61/63/1075546163.db2.gz ZSYMJFUQPDAXGF-UHFFFAOYSA-N 1 2 411.549 1.816 20 30 HDEDLO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000732215498 1075670648 /nfs/dbraw/zinc/67/06/48/1075670648.db2.gz BTMBQABKANPDPS-UHFFFAOYSA-N 1 2 417.491 1.273 20 30 HDEDLO COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000732215498 1075670654 /nfs/dbraw/zinc/67/06/54/1075670654.db2.gz BTMBQABKANPDPS-UHFFFAOYSA-N 1 2 417.491 1.273 20 30 HDEDLO C[C@H](CNc1nc(NC[C@H](C)C[NH+]2CCOCC2)ccc1C#N)CN1CCOCC1 ZINC000436391494 1075758280 /nfs/dbraw/zinc/75/82/80/1075758280.db2.gz RFWUPZUYJTUQSY-RBUKOAKNSA-N 1 2 416.570 1.714 20 30 HDEDLO CON=Cc1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC000732915517 1075911466 /nfs/dbraw/zinc/91/14/66/1075911466.db2.gz KPRSTXLALOBFKF-IBGZPJMESA-N 1 2 424.505 1.692 20 30 HDEDLO CON=Cc1ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000732915517 1075911469 /nfs/dbraw/zinc/91/14/69/1075911469.db2.gz KPRSTXLALOBFKF-IBGZPJMESA-N 1 2 424.505 1.692 20 30 HDEDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)Cc3cccc(C#N)c3)CC2)cc1 ZINC000732922978 1075914931 /nfs/dbraw/zinc/91/49/31/1075914931.db2.gz JPPJPUPCLDDAMM-UHFFFAOYSA-N 1 2 414.531 1.808 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)CC1 ZINC000733149884 1075984275 /nfs/dbraw/zinc/98/42/75/1075984275.db2.gz WLDUGZWJWBFYHC-UHFFFAOYSA-N 1 2 422.485 1.454 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)CC1 ZINC000733149884 1075984280 /nfs/dbraw/zinc/98/42/80/1075984280.db2.gz WLDUGZWJWBFYHC-UHFFFAOYSA-N 1 2 422.485 1.454 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2csc(-n3c(C)ccc3C)n2)CC1 ZINC000733149344 1075985524 /nfs/dbraw/zinc/98/55/24/1075985524.db2.gz GDHZWUWRHGCPFH-UHFFFAOYSA-N 1 2 413.547 1.377 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2csc(-n3c(C)ccc3C)n2)CC1 ZINC000733149344 1075985526 /nfs/dbraw/zinc/98/55/26/1075985526.db2.gz GDHZWUWRHGCPFH-UHFFFAOYSA-N 1 2 413.547 1.377 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCOc2ccc(OCC)cc2)CC1 ZINC000733150829 1075986240 /nfs/dbraw/zinc/98/62/40/1075986240.db2.gz WXGCLNDDKILEJI-UHFFFAOYSA-N 1 2 401.507 1.528 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCOc2ccc(OCC)cc2)CC1 ZINC000733150829 1075986242 /nfs/dbraw/zinc/98/62/42/1075986242.db2.gz WXGCLNDDKILEJI-UHFFFAOYSA-N 1 2 401.507 1.528 20 30 HDEDLO CC(=O)Nc1cccc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2C2CC2)c1 ZINC000730139552 1076466850 /nfs/dbraw/zinc/46/68/50/1076466850.db2.gz ROXWNPHSPNVUJS-KRWDZBQOSA-N 1 2 417.535 1.807 20 30 HDEDLO CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCC[NH+](C)C)C(=O)N2C2CC2)c1 ZINC000730139552 1076466854 /nfs/dbraw/zinc/46/68/54/1076466854.db2.gz ROXWNPHSPNVUJS-KRWDZBQOSA-N 1 2 417.535 1.807 20 30 HDEDLO CNC(=O)CC1SC(=Nc2ccccc2)N([C@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000730141403 1076468058 /nfs/dbraw/zinc/46/80/58/1076468058.db2.gz JUOIIHZYGAOWNX-WBVHZDCISA-N 1 2 403.552 1.390 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CC2CCC2)C1=O ZINC000730143431 1076468782 /nfs/dbraw/zinc/46/87/82/1076468782.db2.gz BOBGHIMHKOGWKD-GOTYSUTNSA-N 1 2 417.579 1.792 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CC2CCC2)C1=O ZINC000730143435 1076468790 /nfs/dbraw/zinc/46/87/90/1076468790.db2.gz BOBGHIMHKOGWKD-QAYQYMSWSA-N 1 2 417.579 1.792 20 30 HDEDLO CCn1cc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2Cc2ccco2)cn1 ZINC000730145196 1076470099 /nfs/dbraw/zinc/47/00/99/1076470099.db2.gz XTVKCFLPNJPDCO-MRXNPFEDSA-N 1 2 418.523 1.696 20 30 HDEDLO CCn1cc(N=C2S[C@H](CC(=O)NCC[NH+](C)C)C(=O)N2Cc2ccco2)cn1 ZINC000730145196 1076470110 /nfs/dbraw/zinc/47/01/10/1076470110.db2.gz XTVKCFLPNJPDCO-MRXNPFEDSA-N 1 2 418.523 1.696 20 30 HDEDLO C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000731122971 1076725892 /nfs/dbraw/zinc/72/58/92/1076725892.db2.gz XGBABSHSZNPAJU-NRFANRHFSA-N 1 2 407.470 1.654 20 30 HDEDLO C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000731122971 1076725896 /nfs/dbraw/zinc/72/58/96/1076725896.db2.gz XGBABSHSZNPAJU-NRFANRHFSA-N 1 2 407.470 1.654 20 30 HDEDLO C#CCOc1cccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000731126538 1076734440 /nfs/dbraw/zinc/73/44/40/1076734440.db2.gz UOOGKACWFJJRNN-UHFFFAOYSA-N 1 2 407.470 1.786 20 30 HDEDLO C#CCOc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000731126075 1076734737 /nfs/dbraw/zinc/73/47/37/1076734737.db2.gz QNQRWMBAVXJNDP-UHFFFAOYSA-N 1 2 407.470 1.786 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc(Cl)c1C#N)C2 ZINC001164821878 720439001 /nfs/dbraw/zinc/43/90/01/720439001.db2.gz AAWZCFMOVRCYHL-CQSZACIVSA-N 1 2 417.901 1.188 20 30 HDEDLO N#C[C@H](C(=O)CN1CCCC[C@H]1C[NH+]1CCOCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000732210676 1075667232 /nfs/dbraw/zinc/66/72/32/1075667232.db2.gz CQNPVJVWXDDSCC-FUHWJXTLSA-N 1 2 409.490 1.698 20 30 HDEDLO C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000535737251 1075709159 /nfs/dbraw/zinc/70/91/59/1075709159.db2.gz NXDLQHDKRIJTTA-OAHLLOKOSA-N 1 2 413.501 1.604 20 30 HDEDLO Cc1cc(N)nc(SCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[nH+]1 ZINC000444401499 1075740990 /nfs/dbraw/zinc/74/09/90/1075740990.db2.gz GWTAXCDFJXCSIP-INIZCTEOSA-N 1 2 400.483 2.008 20 30 HDEDLO N#C[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCN1C1CC1 ZINC000732673869 1075828946 /nfs/dbraw/zinc/82/89/46/1075828946.db2.gz AFFWOZLBVZISLK-HXUWFJFHSA-N 1 2 413.522 1.279 20 30 HDEDLO N#C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCN1C1CC1 ZINC000732675488 1075829171 /nfs/dbraw/zinc/82/91/71/1075829171.db2.gz UYJKOLUUDADHGE-HXUWFJFHSA-N 1 2 413.522 1.279 20 30 HDEDLO COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000611551394 1075962763 /nfs/dbraw/zinc/96/27/63/1075962763.db2.gz LHNNADUYNXJGJK-UZLBHIALSA-N 1 2 416.497 1.808 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000733148753 1075983534 /nfs/dbraw/zinc/98/35/34/1075983534.db2.gz KOEKTQTYAGZBPR-UHFFFAOYSA-N 1 2 401.482 1.158 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000733148753 1075983537 /nfs/dbraw/zinc/98/35/37/1075983537.db2.gz KOEKTQTYAGZBPR-UHFFFAOYSA-N 1 2 401.482 1.158 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000733149010 1075983866 /nfs/dbraw/zinc/98/38/66/1075983866.db2.gz UOCQLNNWYDNKAF-JOCHJYFZSA-N 1 2 410.518 1.024 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000733149010 1075983868 /nfs/dbraw/zinc/98/38/68/1075983868.db2.gz UOCQLNNWYDNKAF-JOCHJYFZSA-N 1 2 410.518 1.024 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)n(Cc3ccccn3)c2C)CC1 ZINC000733148595 1075983891 /nfs/dbraw/zinc/98/38/91/1075983891.db2.gz DMDQLMCQMOBGDW-UHFFFAOYSA-N 1 2 407.518 1.446 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)n(Cc3ccccn3)c2C)CC1 ZINC000733148595 1075983896 /nfs/dbraw/zinc/98/38/96/1075983896.db2.gz DMDQLMCQMOBGDW-UHFFFAOYSA-N 1 2 407.518 1.446 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000733149870 1075984321 /nfs/dbraw/zinc/98/43/21/1075984321.db2.gz VJFLQKVSFBYQFK-UHFFFAOYSA-N 1 2 423.517 1.328 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000733149870 1075984324 /nfs/dbraw/zinc/98/43/24/1075984324.db2.gz VJFLQKVSFBYQFK-UHFFFAOYSA-N 1 2 423.517 1.328 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 ZINC000733149583 1075984719 /nfs/dbraw/zinc/98/47/19/1075984719.db2.gz LVQLGQUWZBZGQY-IBGZPJMESA-N 1 2 413.518 1.259 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 ZINC000733149583 1075984721 /nfs/dbraw/zinc/98/47/21/1075984721.db2.gz LVQLGQUWZBZGQY-IBGZPJMESA-N 1 2 413.518 1.259 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)CC1 ZINC000733149226 1075985424 /nfs/dbraw/zinc/98/54/24/1075985424.db2.gz AVMWIUSNFSVKAV-UHFFFAOYSA-N 1 2 415.494 1.197 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)CC1 ZINC000733149226 1075985427 /nfs/dbraw/zinc/98/54/27/1075985427.db2.gz AVMWIUSNFSVKAV-UHFFFAOYSA-N 1 2 415.494 1.197 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000733150871 1075986276 /nfs/dbraw/zinc/98/62/76/1075986276.db2.gz ZDJZCMDIPUWUNO-UHFFFAOYSA-N 1 2 416.566 1.135 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000733150871 1075986277 /nfs/dbraw/zinc/98/62/77/1075986277.db2.gz ZDJZCMDIPUWUNO-UHFFFAOYSA-N 1 2 416.566 1.135 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 ZINC000733150584 1075986712 /nfs/dbraw/zinc/98/67/12/1075986712.db2.gz OCTPTKFYPRLHLI-WMZOPIPTSA-N 1 2 408.543 1.210 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 ZINC000733150584 1075986713 /nfs/dbraw/zinc/98/67/13/1075986713.db2.gz OCTPTKFYPRLHLI-WMZOPIPTSA-N 1 2 408.543 1.210 20 30 HDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)cc2[nH]c1=S ZINC000733975701 1076280114 /nfs/dbraw/zinc/28/01/14/1076280114.db2.gz JSBYNLZVGZQSMK-OAHLLOKOSA-N 1 2 415.563 1.485 20 30 HDEDLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)C2=O)c1 ZINC000728173630 1076364841 /nfs/dbraw/zinc/36/48/41/1076364841.db2.gz YDVPMFHIIXSCCT-JOCHJYFZSA-N 1 2 421.457 1.497 20 30 HDEDLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)C2=O)c1 ZINC000728173630 1076364847 /nfs/dbraw/zinc/36/48/47/1076364847.db2.gz YDVPMFHIIXSCCT-JOCHJYFZSA-N 1 2 421.457 1.497 20 30 HDEDLO CCc1cccc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2CCOC)c1 ZINC000730139946 1076466557 /nfs/dbraw/zinc/46/65/57/1076466557.db2.gz STWSWOUMOBRLTJ-QGZVFWFLSA-N 1 2 406.552 1.895 20 30 HDEDLO CCc1cccc(N=C2S[C@H](CC(=O)NCC[NH+](C)C)C(=O)N2CCOC)c1 ZINC000730139946 1076466564 /nfs/dbraw/zinc/46/65/64/1076466564.db2.gz STWSWOUMOBRLTJ-QGZVFWFLSA-N 1 2 406.552 1.895 20 30 HDEDLO C[NH+](C)CCNC(=O)CC1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O ZINC000730144117 1076469702 /nfs/dbraw/zinc/46/97/02/1076469702.db2.gz XRSRDLDTMLJHEA-IRXDYDNUSA-N 1 2 404.536 1.865 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O ZINC000730144117 1076469706 /nfs/dbraw/zinc/46/97/06/1076469706.db2.gz XRSRDLDTMLJHEA-IRXDYDNUSA-N 1 2 404.536 1.865 20 30 HDEDLO COc1ccc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2C2CCC2)cn1 ZINC000730463129 1076579511 /nfs/dbraw/zinc/57/95/11/1076579511.db2.gz SLRKSHWJPUVZFW-HNNXBMFYSA-N 1 2 405.524 1.642 20 30 HDEDLO COc1ccc(N=C2S[C@@H](CC(=O)NCC[NH+](C)C)C(=O)N2C2CCC2)cn1 ZINC000730463129 1076579531 /nfs/dbraw/zinc/57/95/31/1076579531.db2.gz SLRKSHWJPUVZFW-HNNXBMFYSA-N 1 2 405.524 1.642 20 30 HDEDLO C#CCOc1cccc(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000731110892 1076728866 /nfs/dbraw/zinc/72/88/66/1076728866.db2.gz IQLXDRNXPCDLMA-UHFFFAOYSA-N 1 2 407.474 1.954 20 30 HDEDLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C[C@H](C)O1 ZINC000731211173 1076746970 /nfs/dbraw/zinc/74/69/70/1076746970.db2.gz AUMAFGOLYROLSU-CALCHBBNSA-N 1 2 408.524 1.061 20 30 HDEDLO Cc1cc(N2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000536919616 1074675110 /nfs/dbraw/zinc/67/51/10/1074675110.db2.gz DUMRKRCPCHTRRS-UHFFFAOYSA-N 1 2 424.509 1.845 20 30 HDEDLO C#CCN(C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000732062065 1075599334 /nfs/dbraw/zinc/59/93/34/1075599334.db2.gz OVWJZHAXBHGJDC-WIYYLYMNSA-N 1 2 402.560 1.979 20 30 HDEDLO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3nc(N)ns3)CC2)c(OC)c1 ZINC000469223802 1075617130 /nfs/dbraw/zinc/61/71/30/1075617130.db2.gz PXOYVCZUXVCEJK-HNNXBMFYSA-N 1 2 405.524 1.419 20 30 HDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000564162812 1075762391 /nfs/dbraw/zinc/76/23/91/1075762391.db2.gz ALGYKWJATDRLAZ-UHFFFAOYSA-N 1 2 412.494 1.767 20 30 HDEDLO CC(C)(C)OC(=O)NCCOCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000732549825 1075783460 /nfs/dbraw/zinc/78/34/60/1075783460.db2.gz BQOKJIHLRYTVPY-UHFFFAOYSA-N 1 2 402.495 1.744 20 30 HDEDLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1)[NH+]1CCOCC1 ZINC000732707232 1075839958 /nfs/dbraw/zinc/83/99/58/1075839958.db2.gz VWNVWPMSSSGOSS-OXJNMPFZSA-N 1 2 411.506 1.217 20 30 HDEDLO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NC[C@H](O)C[NH+]3CCOCC3)c2)c1 ZINC000611190774 1075873244 /nfs/dbraw/zinc/87/32/44/1075873244.db2.gz DEYATUIDWDMTQK-FQEVSTJZSA-N 1 2 423.473 1.625 20 30 HDEDLO CON=Cc1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC000732915518 1075911628 /nfs/dbraw/zinc/91/16/28/1075911628.db2.gz KPRSTXLALOBFKF-LJQANCHMSA-N 1 2 424.505 1.692 20 30 HDEDLO CON=Cc1ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000732915518 1075911632 /nfs/dbraw/zinc/91/16/32/1075911632.db2.gz KPRSTXLALOBFKF-LJQANCHMSA-N 1 2 424.505 1.692 20 30 HDEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000611540681 1075956893 /nfs/dbraw/zinc/95/68/93/1075956893.db2.gz NFPWYSVECPXVHU-LSDHHAIUSA-N 1 2 403.426 1.797 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3F)c2C)CC1 ZINC000733148620 1075983905 /nfs/dbraw/zinc/98/39/05/1075983905.db2.gz FDLPQXPDWRFIKW-UHFFFAOYSA-N 1 2 415.444 1.356 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3F)c2C)CC1 ZINC000733148620 1075983910 /nfs/dbraw/zinc/98/39/10/1075983910.db2.gz FDLPQXPDWRFIKW-UHFFFAOYSA-N 1 2 415.444 1.356 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000733150865 1075986295 /nfs/dbraw/zinc/98/62/95/1075986295.db2.gz YUBPZIJDEVOFNC-UHFFFAOYSA-N 1 2 406.486 1.558 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000733150865 1075986299 /nfs/dbraw/zinc/98/62/99/1075986299.db2.gz YUBPZIJDEVOFNC-UHFFFAOYSA-N 1 2 406.486 1.558 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC1 ZINC000733150288 1075986667 /nfs/dbraw/zinc/98/66/67/1075986667.db2.gz GTJIZLJECIYLBN-UHFFFAOYSA-N 1 2 423.517 1.931 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2-c2nc(C(C)(C)C)no2)CC1 ZINC000733150288 1075986668 /nfs/dbraw/zinc/98/66/68/1075986668.db2.gz GTJIZLJECIYLBN-UHFFFAOYSA-N 1 2 423.517 1.931 20 30 HDEDLO C=CCC(C)(C)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001065703459 1076256447 /nfs/dbraw/zinc/25/64/47/1076256447.db2.gz CUIBLGSCGQVJPM-ROMHJBHXSA-N 1 2 401.551 1.757 20 30 HDEDLO CNC(=O)CC1SC(=Nc2ccccc2C)N([C@@H](C)CN2CC[NH+](C)CC2)C1=O ZINC000730139699 1076466867 /nfs/dbraw/zinc/46/68/67/1076466867.db2.gz ILAHKMYFMCUBFE-WMZOPIPTSA-N 1 2 417.579 1.699 20 30 HDEDLO CCn1cc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2C2CCCC2)cn1 ZINC000730143439 1076468760 /nfs/dbraw/zinc/46/87/60/1076468760.db2.gz BOQOTUAFFZLAGB-INIZCTEOSA-N 1 2 406.556 1.845 20 30 HDEDLO CCn1cc(N=C2S[C@@H](CC(=O)NCC[NH+](C)C)C(=O)N2C2CCCC2)cn1 ZINC000730143439 1076468762 /nfs/dbraw/zinc/46/87/62/1076468762.db2.gz BOQOTUAFFZLAGB-INIZCTEOSA-N 1 2 406.556 1.845 20 30 HDEDLO C#Cc1cccc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2CCOCC)c1 ZINC000730144001 1076468793 /nfs/dbraw/zinc/46/87/93/1076468793.db2.gz GPRVEDXUGCLWEC-GOSISDBHSA-N 1 2 416.547 1.704 20 30 HDEDLO C#Cc1cccc(N=C2S[C@H](CC(=O)NCC[NH+](C)C)C(=O)N2CCOCC)c1 ZINC000730144001 1076468794 /nfs/dbraw/zinc/46/87/94/1076468794.db2.gz GPRVEDXUGCLWEC-GOSISDBHSA-N 1 2 416.547 1.704 20 30 HDEDLO C[NH+](C)CCNC(=O)CC1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O ZINC000730144113 1076469727 /nfs/dbraw/zinc/46/97/27/1076469727.db2.gz XRSRDLDTMLJHEA-DLBZAZTESA-N 1 2 404.536 1.865 20 30 HDEDLO C[NH+](C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O ZINC000730144113 1076469728 /nfs/dbraw/zinc/46/97/28/1076469728.db2.gz XRSRDLDTMLJHEA-DLBZAZTESA-N 1 2 404.536 1.865 20 30 HDEDLO Cc1cc(N2CCN(C(=O)COC(=O)c3ccc(C#N)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000730891604 1076685784 /nfs/dbraw/zinc/68/57/84/1076685784.db2.gz ZKNYDEIALRUUAQ-UHFFFAOYSA-N 1 2 408.462 1.681 20 30 HDEDLO C#CCOc1cccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000731124903 1076727569 /nfs/dbraw/zinc/72/75/69/1076727569.db2.gz QQKVKXZJUPCTCN-UHFFFAOYSA-N 1 2 406.486 1.576 20 30 HDEDLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C[C@@H](C)O1 ZINC000731211177 1076746828 /nfs/dbraw/zinc/74/68/28/1076746828.db2.gz AUMAFGOLYROLSU-IAGOWNOFSA-N 1 2 408.524 1.061 20 30 HDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C#N)c(C#N)nc1Cl ZINC001164706399 719854849 /nfs/dbraw/zinc/85/48/49/719854849.db2.gz XCVQAJJSSWPREP-SGTLLEGYSA-N 1 2 404.858 1.106 20 30 HDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccncc4)ccc3C#N)C2)C1 ZINC001164721496 720280023 /nfs/dbraw/zinc/28/00/23/720280023.db2.gz KDPDXKSULQAGPX-HSZRJFAPSA-N 1 2 420.517 1.680 20 30 HDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccncc4)ccc3C#N)C2)C1 ZINC001164721496 720280032 /nfs/dbraw/zinc/28/00/32/720280032.db2.gz KDPDXKSULQAGPX-HSZRJFAPSA-N 1 2 420.517 1.680 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(C#N)cc1F)C2 ZINC001164832224 720464356 /nfs/dbraw/zinc/46/43/56/720464356.db2.gz RLQCMWHCIMLWDT-INIZCTEOSA-N 1 2 400.458 1.278 20 30 HDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3[nH]c(C#N)cc3n1)C2 ZINC001164829238 720468864 /nfs/dbraw/zinc/46/88/64/720468864.db2.gz DSAIBLSOEZYQNL-INIZCTEOSA-N 1 2 421.505 1.621 20 30 HDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000509109513 1073549506 /nfs/dbraw/zinc/54/95/06/1073549506.db2.gz KVTJKYCVZRAEJS-UHFFFAOYSA-N 1 2 404.536 1.600 20 30 HDEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC#Cc2ccccc2)CC1 ZINC000674195083 1074208413 /nfs/dbraw/zinc/20/84/13/1074208413.db2.gz NPNCHXGLKZNKIW-UHFFFAOYSA-N 1 2 404.470 1.181 20 30 HDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731760861 1075515672 /nfs/dbraw/zinc/51/56/72/1075515672.db2.gz DXSRYJGZQSOKQA-UHFFFAOYSA-N 1 2 404.536 1.765 20 30 HDEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731760936 1075515978 /nfs/dbraw/zinc/51/59/78/1075515978.db2.gz IYNPIUQQISLULA-UHFFFAOYSA-N 1 2 424.523 1.801 20 30 HDEDLO Cc1cc(N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000731902188 1075563396 /nfs/dbraw/zinc/56/33/96/1075563396.db2.gz ZTUNXQZBWFZLHI-UHFFFAOYSA-N 1 2 400.508 1.754 20 30 HDEDLO C#CCN(C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000732062062 1075599363 /nfs/dbraw/zinc/59/93/63/1075599363.db2.gz OVWJZHAXBHGJDC-GHTZIAJQSA-N 1 2 402.560 1.979 20 30 HDEDLO N#Cc1cccnc1NCCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732455091 1075742864 /nfs/dbraw/zinc/74/28/64/1075742864.db2.gz 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1075986288 /nfs/dbraw/zinc/98/62/88/1075986288.db2.gz PFTBQEROBMVVHN-UHFFFAOYSA-N 1 2 408.296 1.355 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000733150603 1075986289 /nfs/dbraw/zinc/98/62/89/1075986289.db2.gz PFTBQEROBMVVHN-UHFFFAOYSA-N 1 2 408.296 1.355 20 30 HDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000733150269 1075986537 /nfs/dbraw/zinc/98/65/37/1075986537.db2.gz GFUJPQQMIDWARN-UHFFFAOYSA-N 1 2 421.423 1.339 20 30 HDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000733150269 1075986540 /nfs/dbraw/zinc/98/65/40/1075986540.db2.gz GFUJPQQMIDWARN-UHFFFAOYSA-N 1 2 421.423 1.339 20 30 HDEDLO C[C@H](ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C(=O)NCc1ccccc1F ZINC000734092627 1076303877 /nfs/dbraw/zinc/30/38/77/1076303877.db2.gz VWOMBRIKJBEQID-INIZCTEOSA-N 1 2 414.481 2.000 20 30 HDEDLO COc1ccc(N=C2SC(CC(=O)NCC[NH+](C)C)C(=O)N2CC(C)C)cn1 ZINC000730143717 1076468493 /nfs/dbraw/zinc/46/84/93/1076468493.db2.gz CZVQCXPNFAXGRE-OAHLLOKOSA-N 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COc1ccc(N=C2S[C@H](CC(=O)NCC[NH+](C)C)C(=O)N2C2CCC2)cn1 ZINC000730463130 1076579577 /nfs/dbraw/zinc/57/95/77/1076579577.db2.gz SLRKSHWJPUVZFW-OAHLLOKOSA-N 1 2 405.524 1.642 20 30 HDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccncc4)ccc3C#N)CC2)C1=O ZINC001164642204 719279593 /nfs/dbraw/zinc/27/95/93/719279593.db2.gz YLFLFSZPEKQEOC-UHFFFAOYSA-N 1 2 420.517 1.775 20 30 HDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccncc4)ccc3C#N)CC2)C1=O ZINC001164642204 719279594 /nfs/dbraw/zinc/27/95/94/719279594.db2.gz YLFLFSZPEKQEOC-UHFFFAOYSA-N 1 2 420.517 1.775 20 30 HDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3ccc(C#N)cc31)CC2 ZINC001164702933 719938815 /nfs/dbraw/zinc/93/88/15/719938815.db2.gz IAYCUBMIXLKODE-UHFFFAOYSA-N 1 2 416.489 1.185 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)nc1C#N)C2 ZINC001164825350 720438307 /nfs/dbraw/zinc/43/83/07/720438307.db2.gz RJUOGJUEXLIQDX-CQSZACIVSA-N 1 2 417.901 1.188 20 30 HDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(Cl)c1C#N)C2 ZINC001164825630 720440618 /nfs/dbraw/zinc/44/06/18/720440618.db2.gz SWAZPCGKYLWBLZ-OAHLLOKOSA-N 1 2 416.913 1.793 20 30 HDEDLO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]3CCCO3)CC1)CCC2 ZINC000022198834 1073531846 /nfs/dbraw/zinc/53/18/46/1073531846.db2.gz JSFVSSSSVNDVQJ-MRXNPFEDSA-N 1 2 402.520 1.760 20 30 HDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)no1 ZINC000489796330 1073592087 /nfs/dbraw/zinc/59/20/87/1073592087.db2.gz JPIZLGJDOFYQRK-MRXNPFEDSA-N 1 2 404.496 1.628 20 30 HDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)no1 ZINC000489796330 1073592093 /nfs/dbraw/zinc/59/20/93/1073592093.db2.gz JPIZLGJDOFYQRK-MRXNPFEDSA-N 1 2 404.496 1.628 20 30 HDEDLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)Nc3cc(C)n(CCC#N)n3)cc2)CC1 ZINC000589427968 1075232900 /nfs/dbraw/zinc/23/29/00/1075232900.db2.gz YWTKYLABSCXCSM-UHFFFAOYSA-N 1 2 423.521 1.820 20 30 HDEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1 ZINC000444587271 1075491873 /nfs/dbraw/zinc/49/18/73/1075491873.db2.gz 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