smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CCNC(=[NH2+])NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000303784487 972025726 /nfs/dbraw/zinc/02/57/26/972025726.db2.gz PEAMYLBVSZEMGT-UHFFFAOYSA-N 2 0 424.589 3.583 20 30 HHEDRP CCCOc1ccc(Oc2ncccc2CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000303887461 972427608 /nfs/dbraw/zinc/42/76/08/972427608.db2.gz OKCJZKJPAUKSJH-IBGZPJMESA-N 2 0 411.550 3.551 20 30 HHEDRP Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000537841993 1013404160 /nfs/dbraw/zinc/40/41/60/1013404160.db2.gz QVACUKWARJOMFM-QGZVFWFLSA-N 2 0 409.534 3.729 20 30 HHEDRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469372 966158854 /nfs/dbraw/zinc/15/88/54/966158854.db2.gz UEUQBKVHGOEKFO-HXUWFJFHSA-N 2 0 404.558 3.853 20 30 HHEDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000237486592 970298266 /nfs/dbraw/zinc/29/82/66/970298266.db2.gz ACAIISYDDJDENM-QFIPXVFZSA-N 2 0 406.574 3.978 20 30 HHEDRP CCc1cccc(NC(=[NH2+])NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000303975204 972561205 /nfs/dbraw/zinc/56/12/05/972561205.db2.gz IURMKZQOGVELNW-UHFFFAOYSA-N 2 0 410.562 3.665 20 30 HHEDRP Cc1cc(C)cc(NC(=[NH2+])NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000303975256 972561374 /nfs/dbraw/zinc/56/13/74/972561374.db2.gz IYLCQAPFTIGEKA-UHFFFAOYSA-N 2 0 410.562 3.720 20 30 HHEDRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000410374837 973971829 /nfs/dbraw/zinc/97/18/29/973971829.db2.gz OAGKCJIOJMUOSA-UHFFFAOYSA-N 2 0 421.589 3.672 20 30 HHEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433108629 979076588 /nfs/dbraw/zinc/07/65/88/979076588.db2.gz AAMWLXFGXFJFKC-UHFFFAOYSA-N 2 0 402.542 3.875 20 30 HHEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126832 979087101 /nfs/dbraw/zinc/08/71/01/979087101.db2.gz DZPMRNOSVWURNZ-NRFANRHFSA-N 2 0 408.590 3.706 20 30 HHEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126833 979087505 /nfs/dbraw/zinc/08/75/05/979087505.db2.gz DZPMRNOSVWURNZ-OAQYLSRUSA-N 2 0 408.590 3.706 20 30 HHEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433306732 979226674 /nfs/dbraw/zinc/22/66/74/979226674.db2.gz SWSDHHOGWWSPAA-UHFFFAOYSA-N 2 0 402.546 3.989 20 30 HHEDRP N#CCCn1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000433324531 979237766 /nfs/dbraw/zinc/23/77/66/979237766.db2.gz BCGJUBWBRCSLCW-JOCHJYFZSA-N 2 0 414.557 3.513 20 30 HHEDRP CC1CC[NH+](C2CCC([NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)CC2)CC1 ZINC000433345826 979251859 /nfs/dbraw/zinc/25/18/59/979251859.db2.gz ZDDQFKOQMNRQNL-UHFFFAOYSA-N 2 0 406.578 3.991 20 30 HHEDRP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000442689808 985160725 /nfs/dbraw/zinc/16/07/25/985160725.db2.gz UPEOYWFBNTVXCS-HXUWFJFHSA-N 2 0 404.558 3.579 20 30 HHEDRP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC[C@@H]3CCCC[NH+]3C)sc2C1 ZINC000444172402 986349892 /nfs/dbraw/zinc/34/98/92/986349892.db2.gz REQTVGGFQGLPRV-IRXDYDNUSA-N 2 0 402.608 3.879 20 30 HHEDRP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844142 989093850 /nfs/dbraw/zinc/09/38/50/989093850.db2.gz DWLFIGPECJMESF-IBGZPJMESA-N 2 0 422.598 3.891 20 30 HHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000481669582 994529557 /nfs/dbraw/zinc/52/95/57/994529557.db2.gz VRQKCKVGHITETC-VWLOTQADSA-N 2 0 416.569 3.941 20 30 HHEDRP N#CC1(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000482600647 995599802 /nfs/dbraw/zinc/59/98/02/995599802.db2.gz CQBKYEUTTMNQIJ-UHFFFAOYSA-N 2 0 402.542 3.571 20 30 HHEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000485332053 997747356 /nfs/dbraw/zinc/74/73/56/997747356.db2.gz PXHNKMBJQWLLAA-VWNXMTODSA-N 2 0 402.542 3.873 20 30 HHEDRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OCCCC#N ZINC000512181251 1004083285 /nfs/dbraw/zinc/08/32/85/1004083285.db2.gz PLBZWSKGEGSKJG-WOJBJXKFSA-N 2 0 415.578 3.699 20 30 HHEDRP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501079884 1004185635 /nfs/dbraw/zinc/18/56/35/1004185635.db2.gz UQYQDTNDHYDVBY-UHFFFAOYSA-N 2 0 423.586 3.680 20 30 HHEDRP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081995 1004186323 /nfs/dbraw/zinc/18/63/23/1004186323.db2.gz QHGHJIQCCDOXBX-HXUWFJFHSA-N 2 0 405.546 3.565 20 30 HHEDRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000501769355 1004706723 /nfs/dbraw/zinc/70/67/23/1004706723.db2.gz IDZXBOWYLIHHPW-KRWDZBQOSA-N 2 0 420.985 3.609 20 30 HHEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000531119393 1006004407 /nfs/dbraw/zinc/00/44/07/1006004407.db2.gz PGCUZKUTLTVKKD-UHFFFAOYSA-N 2 0 414.937 3.569 20 30 HHEDRP C=CCc1cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc(OC)c1O ZINC000538762164 1007046448 /nfs/dbraw/zinc/04/64/48/1007046448.db2.gz BBOUGCGGEZLIOY-OALUTQOASA-N 2 0 402.579 3.841 20 30 HHEDRP C[NH+]1CCN(C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)c2ccccc2)CC1 ZINC000535071871 1007091783 /nfs/dbraw/zinc/09/17/83/1007091783.db2.gz CTLZWRFEXSOHGH-JNLGVIEDSA-N 2 0 402.586 3.969 20 30 HHEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000523122976 1011588316 /nfs/dbraw/zinc/58/83/16/1011588316.db2.gz HJXXLQUUIMSGIV-DEOSSOPVSA-N 2 0 419.573 3.790 20 30 HHEDRP C=C(C)COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1OC ZINC000591725260 1074503922 /nfs/dbraw/zinc/50/39/22/1074503922.db2.gz WZESWLZPXBEMHX-UHFFFAOYSA-N 2 0 410.558 3.897 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000303386747 971676293 /nfs/dbraw/zinc/67/62/93/971676293.db2.gz YMEOENCATMHUMM-FQEVSTJZSA-N 2 0 404.624 3.861 20 30 HHEDRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000303576343 971868599 /nfs/dbraw/zinc/86/85/99/971868599.db2.gz PYNSPPWCCCFSDM-UHFFFAOYSA-N 2 0 402.608 3.881 20 30 HHEDRP CCCOc1ccc(Oc2ncccc2CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000303887464 972427950 /nfs/dbraw/zinc/42/79/50/972427950.db2.gz OKCJZKJPAUKSJH-LJQANCHMSA-N 2 0 411.550 3.551 20 30 HHEDRP CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)cc2)CC1 ZINC000303890778 972430354 /nfs/dbraw/zinc/43/03/54/972430354.db2.gz MPDQSDKQWYUXFI-UHFFFAOYSA-N 2 0 409.578 3.538 20 30 HHEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000236949940 970193330 /nfs/dbraw/zinc/19/33/30/970193330.db2.gz PUOBBRCQPMTOBK-NRFANRHFSA-N 2 0 406.574 3.500 20 30 HHEDRP C[C@H](NC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1Cl ZINC000305835872 972615087 /nfs/dbraw/zinc/61/50/87/972615087.db2.gz WSTYWRJMZUEKMN-KSSFIOAISA-N 2 0 421.372 3.726 20 30 HHEDRP C=CCC[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000429074577 976358349 /nfs/dbraw/zinc/35/83/49/976358349.db2.gz OFXKDMJNSQERNP-QHCPKHFHSA-N 2 0 407.562 3.600 20 30 HHEDRP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000463193877 986165894 /nfs/dbraw/zinc/16/58/94/986165894.db2.gz PSLGKIQCOLHDJJ-GNPXQVHSSA-N 2 0 416.650 3.801 20 30 HHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000471224182 989367229 /nfs/dbraw/zinc/36/72/29/989367229.db2.gz YALZOUVUMUQYJD-QFBILLFUSA-N 2 0 402.608 3.879 20 30 HHEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000471224181 989367323 /nfs/dbraw/zinc/36/73/23/989367323.db2.gz YALZOUVUMUQYJD-LPHOPBHVSA-N 2 0 402.608 3.879 20 30 HHEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000481069261 993909516 /nfs/dbraw/zinc/90/95/16/993909516.db2.gz FMDGEIWJMNBLKJ-UHFFFAOYSA-N 2 0 408.384 3.891 20 30 HHEDRP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482871127 995806260 /nfs/dbraw/zinc/80/62/60/995806260.db2.gz HLPYGFLHKAFVGW-GHTZIAJQSA-N 2 0 410.537 3.957 20 30 HHEDRP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000482876780 995809898 /nfs/dbraw/zinc/80/98/98/995809898.db2.gz PNZFPWMIDZYPOP-GHTZIAJQSA-N 2 0 410.537 3.957 20 30 HHEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485351932 997773784 /nfs/dbraw/zinc/77/37/84/997773784.db2.gz SKLLOKFPUHKQSX-ISKFKSNPSA-N 2 0 402.542 3.873 20 30 HHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000489183745 999718037 /nfs/dbraw/zinc/71/80/37/999718037.db2.gz JMOXJTUSDSFQOD-VWLOTQADSA-N 2 0 416.569 3.898 20 30 HHEDRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621232 1001461461 /nfs/dbraw/zinc/46/14/61/1001461461.db2.gz UEUQBKVHGOEKFO-FQEVSTJZSA-N 2 0 404.558 3.853 20 30 HHEDRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000508897142 1003327349 /nfs/dbraw/zinc/32/73/49/1003327349.db2.gz IUIRZECQIUROMN-HYBUGGRVSA-N 2 0 421.589 3.631 20 30 HHEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC000503398865 1005408061 /nfs/dbraw/zinc/40/80/61/1005408061.db2.gz KJGJNXOCMXIPHK-PKTZIBPZSA-N 2 0 404.643 3.839 20 30 HHEDRP N#Cc1cccc(COc2cccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c2)c1 ZINC000531759848 1006404810 /nfs/dbraw/zinc/40/48/10/1006404810.db2.gz UUEGPSJOOYXHNA-IZZNHLLZSA-N 2 0 419.569 3.995 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534959076 1007004780 /nfs/dbraw/zinc/00/47/80/1007004780.db2.gz APAJDHTUSLINDE-LAUBAEHRSA-N 2 0 422.976 3.812 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000517983955 1008086784 /nfs/dbraw/zinc/08/67/84/1008086784.db2.gz FMNBKXFBJWTRIX-OAQYLSRUSA-N 2 0 409.496 3.598 20 30 HHEDRP Cn1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860022 1009037478 /nfs/dbraw/zinc/03/74/78/1009037478.db2.gz RKYOYPGJTNKWKP-RPWUZVMVSA-N 2 0 411.553 3.913 20 30 HHEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)C(C)C ZINC000043490275 966981761 /nfs/dbraw/zinc/98/17/61/966981761.db2.gz SOGLBWDDDADFGO-QHCPKHFHSA-N 2 0 413.610 3.567 20 30 HHEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000236953792 970194262 /nfs/dbraw/zinc/19/42/62/970194262.db2.gz PUOBBRCQPMTOBK-OAQYLSRUSA-N 2 0 406.574 3.500 20 30 HHEDRP C[NH+]1CCN(c2ccc(CNC(=[NH2+])Nc3cccc(Oc4ccccc4)c3)cn2)CC1 ZINC000304513160 972602488 /nfs/dbraw/zinc/60/24/88/972602488.db2.gz XTBVLWDXULNJMD-UHFFFAOYSA-N 2 0 416.529 3.553 20 30 HHEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1OC ZINC000305710288 972613067 /nfs/dbraw/zinc/61/30/67/972613067.db2.gz XIIBTPKWQXIODP-VLIAUNLRSA-N 2 0 420.916 3.916 20 30 HHEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000439612530 983471133 /nfs/dbraw/zinc/47/11/33/983471133.db2.gz SJQXZOXBXTXNQT-DEOSSOPVSA-N 2 0 414.509 3.678 20 30 HHEDRP Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1NC(=O)CC[NH+](C)C ZINC000468041813 985700430 /nfs/dbraw/zinc/70/04/30/985700430.db2.gz YYSRDOVBAWZXKV-UHFFFAOYSA-N 2 0 419.573 3.833 20 30 HHEDRP C[NH+](C)[C@H](CNc1nc(NC[C@@H](c2ccco2)[NH+](C)C)ccc1C#N)c1ccco1 ZINC000472040800 990210979 /nfs/dbraw/zinc/21/09/79/990210979.db2.gz AETYTWVUMVEWMR-ZWKOTPCHSA-N 2 0 408.506 3.569 20 30 HHEDRP N#CC1(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000479282140 999363533 /nfs/dbraw/zinc/36/35/33/999363533.db2.gz KPRVHYLWBHGTBB-DEOSSOPVSA-N 2 0 416.569 3.573 20 30 HHEDRP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C[NH+]4CCCC4)CC3)sc2C1 ZINC000507864643 1002399238 /nfs/dbraw/zinc/39/92/38/1002399238.db2.gz YFSLSLMSOKCWFW-KRWDZBQOSA-N 2 0 414.619 3.881 20 30 HHEDRP N#Cc1ccccc1COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000532269834 1006760914 /nfs/dbraw/zinc/76/09/14/1006760914.db2.gz FBTPXHRLTCHQNL-FTJBHMTQSA-N 2 0 419.569 3.995 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534959077 1007005007 /nfs/dbraw/zinc/00/50/07/1007005007.db2.gz APAJDHTUSLINDE-UTKZUKDTSA-N 2 0 422.976 3.812 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000518511087 1008332819 /nfs/dbraw/zinc/33/28/19/1008332819.db2.gz UNIOVXJIXVCJGG-UHFFFAOYSA-N 2 0 404.986 3.644 20 30 HHEDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000548945756 1008531386 /nfs/dbraw/zinc/53/13/86/1008531386.db2.gz DWJPJKWBOLAYEV-GBXCKJPGSA-N 2 0 407.558 3.514 20 30 HHEDRP COc1ccc([C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000549161727 1008732040 /nfs/dbraw/zinc/73/20/40/1008732040.db2.gz IFSJBNFHAIYLKB-YADARESESA-N 2 0 420.557 3.561 20 30 HHEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000549194563 1008767879 /nfs/dbraw/zinc/76/78/79/1008767879.db2.gz KXVNAGQCAUDWBB-DNRQZRRGSA-N 2 0 421.585 3.760 20 30 HHEDRP N#Cc1ccc(N2CC[C@H]([NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)C2=O)cc1 ZINC000551589780 1010681682 /nfs/dbraw/zinc/68/16/82/1010681682.db2.gz JBZXSVGIROZRGU-DEOSSOPVSA-N 2 0 414.553 3.652 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537108451 1012478687 /nfs/dbraw/zinc/47/86/87/1012478687.db2.gz UHBAWZVQZCBOKJ-ZWKOTPCHSA-N 2 0 423.536 3.517 20 30 HHEDRP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000587309907 1072568354 /nfs/dbraw/zinc/56/83/54/1072568354.db2.gz ZUAKKQHGRGTDMN-UAFMIMERSA-N 2 0 424.549 3.544 20 30 HHEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C(F)(F)F)c1 ZINC000554970679 1073025966 /nfs/dbraw/zinc/02/59/66/1073025966.db2.gz BNDCGSWKIQFIRU-FQEVSTJZSA-N 2 0 403.448 3.824 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000303786256 972027010 /nfs/dbraw/zinc/02/70/10/972027010.db2.gz RCPQFBPHOOZLIB-GOSISDBHSA-N 2 0 410.562 3.683 20 30 HHEDRP CCN1CC[NH+](C[C@H](C)C[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000303905475 972475642 /nfs/dbraw/zinc/47/56/42/972475642.db2.gz ZLHDOCGHCVAAHZ-JOCHJYFZSA-N 2 0 407.606 3.826 20 30 HHEDRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000237165275 970234171 /nfs/dbraw/zinc/23/41/71/970234171.db2.gz ATEFHNBKUOFIFT-UHFFFAOYSA-N 2 0 406.574 3.500 20 30 HHEDRP C=C(C)COc1cc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)ccc1OC ZINC000237361899 970269638 /nfs/dbraw/zinc/26/96/38/970269638.db2.gz LAWUTNMJRWICBS-UHFFFAOYSA-N 2 0 401.595 3.690 20 30 HHEDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000237593035 970319111 /nfs/dbraw/zinc/31/91/11/970319111.db2.gz ACAIISYDDJDENM-JOCHJYFZSA-N 2 0 406.574 3.978 20 30 HHEDRP C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237607508 970320777 /nfs/dbraw/zinc/32/07/77/970320777.db2.gz DRRRBJUANWJNNM-IBGZPJMESA-N 2 0 409.553 3.778 20 30 HHEDRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000303980470 972566176 /nfs/dbraw/zinc/56/61/76/972566176.db2.gz ODAQWVVBHCVISC-UHFFFAOYSA-N 2 0 410.440 3.843 20 30 HHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)[C@@H]1c1cccs1 ZINC000304793213 972606692 /nfs/dbraw/zinc/60/66/92/972606692.db2.gz LLWQPMMLELDHBE-FOIQADDNSA-N 2 0 400.548 3.719 20 30 HHEDRP [NH2+]=C(NCC1(C[NH+]2CCOCC2)CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304811901 972606897 /nfs/dbraw/zinc/60/68/97/972606897.db2.gz NARQKLQSABPESF-UHFFFAOYSA-N 2 0 414.472 3.595 20 30 HHEDRP N#CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000433324532 979237658 /nfs/dbraw/zinc/23/76/58/979237658.db2.gz BCGJUBWBRCSLCW-QFIPXVFZSA-N 2 0 414.557 3.513 20 30 HHEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434861499 980454721 /nfs/dbraw/zinc/45/47/21/980454721.db2.gz NQYMSNSIAMDFNU-OAQYLSRUSA-N 2 0 420.538 3.740 20 30 HHEDRP N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1Cl ZINC000471014274 989083766 /nfs/dbraw/zinc/08/37/66/989083766.db2.gz IVEXMZOXBJFGAT-BGYRXZFFSA-N 2 0 408.933 3.604 20 30 HHEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485351941 997773369 /nfs/dbraw/zinc/77/33/69/997773369.db2.gz SKLLOKFPUHKQSX-VWNXMTODSA-N 2 0 402.542 3.873 20 30 HHEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485351938 997773848 /nfs/dbraw/zinc/77/38/48/997773848.db2.gz SKLLOKFPUHKQSX-UPVQGACJSA-N 2 0 402.542 3.873 20 30 HHEDRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000503702135 1005483184 /nfs/dbraw/zinc/48/31/84/1005483184.db2.gz IGMLREJWCNCPJO-HXUWFJFHSA-N 2 0 421.589 3.761 20 30 HHEDRP N#Cc1ccsc1NC(=O)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965324 1007016747 /nfs/dbraw/zinc/01/67/47/1007016747.db2.gz QTAPBXWRAZOZAP-UHFFFAOYSA-N 2 0 408.571 3.936 20 30 HHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000554863713 1072922290 /nfs/dbraw/zinc/92/22/90/1072922290.db2.gz VVNXIMGNNTUGTC-YKSBVNFPSA-N 2 0 407.558 3.657 20 30 HHEDRP C=C(C)C[NH+]1CCC(Nc2ccc(C#N)c(NC3CC[NH+](CC(=C)C)CC3)n2)CC1 ZINC000302882705 971371299 /nfs/dbraw/zinc/37/12/99/971371299.db2.gz KDSYSHSXNIKCLG-UHFFFAOYSA-N 2 0 408.594 3.858 20 30 HHEDRP CCN1CC[NH+](CCCC[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000303883958 972424741 /nfs/dbraw/zinc/42/47/41/972424741.db2.gz IXTTXXQBOZWIEY-UHFFFAOYSA-N 2 0 407.606 3.970 20 30 HHEDRP N#Cc1ccc(C[NH+]2CCC(Nc3ccc(CC[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000542831177 1013696630 /nfs/dbraw/zinc/69/66/30/1013696630.db2.gz NSCTVOUWMIJJOP-UHFFFAOYSA-N 2 0 404.558 3.509 20 30 HHEDRP [NH2+]=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccccc1OC(F)(F)F ZINC000305199119 972610455 /nfs/dbraw/zinc/61/04/55/972610455.db2.gz FDECZUBZINUBGB-QGZVFWFLSA-N 2 0 406.452 3.876 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000305706729 972613509 /nfs/dbraw/zinc/61/35/09/972613509.db2.gz WGDQBTIBUAOPKS-UTKZUKDTSA-N 2 0 418.944 3.628 20 30 HHEDRP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@@H+]1CC#CC[NH+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000463193879 986165611 /nfs/dbraw/zinc/16/56/11/986165611.db2.gz PSLGKIQCOLHDJJ-WQFLLUORSA-N 2 0 416.650 3.801 20 30 HHEDRP N#Cc1c(NC(=O)CC[NH+]2CCC(C[NH+]3CCCC3)CC2)sc2c1CCCC2 ZINC000488341422 999449109 /nfs/dbraw/zinc/44/91/09/999449109.db2.gz DFZVLQXWJAZBBI-UHFFFAOYSA-N 2 0 400.592 3.635 20 30 HHEDRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000501791617 1004734505 /nfs/dbraw/zinc/73/45/05/1004734505.db2.gz AOPIXSGNZPDKQU-UHFFFAOYSA-N 2 0 402.608 3.881 20 30 HHEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000538393564 1006662992 /nfs/dbraw/zinc/66/29/92/1006662992.db2.gz OSJRQIWIYFABAZ-VWLOTQADSA-N 2 0 402.586 3.677 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534959078 1007004487 /nfs/dbraw/zinc/00/44/87/1007004487.db2.gz APAJDHTUSLINDE-UWJYYQICSA-N 2 0 422.976 3.812 20 30 HHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000538946996 1007232355 /nfs/dbraw/zinc/23/23/55/1007232355.db2.gz OBRHULUWDFIBAA-UHFFFAOYSA-N 2 0 411.937 3.784 20 30 HHEDRP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043495 1008252989 /nfs/dbraw/zinc/25/29/89/1008252989.db2.gz ADMVYCGUJADYIG-OAQYLSRUSA-N 2 0 419.573 3.955 20 30 HHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000540046135 1008255831 /nfs/dbraw/zinc/25/58/31/1008255831.db2.gz VRIOLNFAIMQGAX-UHFFFAOYSA-N 2 0 405.546 3.567 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000518510990 1008332807 /nfs/dbraw/zinc/33/28/07/1008332807.db2.gz OCRZFUHHGVAOPU-UHFFFAOYSA-N 2 0 406.574 3.708 20 30 HHEDRP C[NH+](C)CCC(=O)Nc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000540973268 1011608596 /nfs/dbraw/zinc/60/85/96/1011608596.db2.gz OCFIPDGZGHSLDE-UHFFFAOYSA-N 2 0 405.546 3.525 20 30 HHEDRP COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000551812918 1011970484 /nfs/dbraw/zinc/97/04/84/1011970484.db2.gz GVJDFZQHUNCAGG-DVECYGJZSA-N 2 0 405.542 3.533 20 30 HHEDRP Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000303793880 972031594 /nfs/dbraw/zinc/03/15/94/972031594.db2.gz ZXOMMFCMDZFZKR-DEOSSOPVSA-N 2 0 407.606 3.825 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000303887050 972427812 /nfs/dbraw/zinc/42/78/12/972427812.db2.gz KSPHWDNJAKKXIB-GOSISDBHSA-N 2 0 410.562 3.540 20 30 HHEDRP CN(CCC#N)c1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000030904599 965828751 /nfs/dbraw/zinc/82/87/51/965828751.db2.gz PCMLLMMYVGDRIS-RUZDIDTESA-N 2 0 405.590 3.505 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[NH+]2CCCCCC2)cc1OC ZINC000304764591 972605355 /nfs/dbraw/zinc/60/53/55/972605355.db2.gz YEOLDGDUYLKMNB-UHFFFAOYSA-N 2 0 424.589 3.727 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc1OC ZINC000304758636 972605749 /nfs/dbraw/zinc/60/57/49/972605749.db2.gz QFHYLJJIBXMZMZ-SFHVURJKSA-N 2 0 410.562 3.772 20 30 HHEDRP C[C@@H](NC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1Cl ZINC000305835868 972614896 /nfs/dbraw/zinc/61/48/96/972614896.db2.gz WSTYWRJMZUEKMN-KDOFPFPSSA-N 2 0 421.372 3.726 20 30 HHEDRP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433075347 979060091 /nfs/dbraw/zinc/06/00/91/979060091.db2.gz GYHNTFYUDVBJGI-UHFFFAOYSA-N 2 0 408.571 3.936 20 30 HHEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(C#N)cc3OC(F)F)CC2)CC1 ZINC000437646980 982265974 /nfs/dbraw/zinc/26/59/74/982265974.db2.gz BHLSRBCSSKSSFD-UHFFFAOYSA-N 2 0 420.548 3.788 20 30 HHEDRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)NC1(C#N)CCCCC1 ZINC000439598794 983465949 /nfs/dbraw/zinc/46/59/49/983465949.db2.gz SXXLGHHVNHRXAG-IBGZPJMESA-N 2 0 408.546 3.732 20 30 HHEDRP C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000444688532 986866431 /nfs/dbraw/zinc/86/64/31/986866431.db2.gz ZOIGLELKYYFIGP-HSZRJFAPSA-N 2 0 416.613 3.987 20 30 HHEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471218493 989361611 /nfs/dbraw/zinc/36/16/11/989361611.db2.gz CDLUAELEWAEFCL-HXUWFJFHSA-N 2 0 404.558 3.579 20 30 HHEDRP C[NH+](C)[C@@H](CNc1ccc(C#N)c(NC[C@@H](c2ccco2)[NH+](C)C)n1)c1ccco1 ZINC000472040799 990211160 /nfs/dbraw/zinc/21/11/60/990211160.db2.gz AETYTWVUMVEWMR-ROUUACIJSA-N 2 0 408.506 3.569 20 30 HHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000481669579 994529312 /nfs/dbraw/zinc/52/93/12/994529312.db2.gz VRQKCKVGHITETC-RUZDIDTESA-N 2 0 416.569 3.941 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482467169 995470854 /nfs/dbraw/zinc/47/08/54/995470854.db2.gz GZYLKDZTFYZQBZ-VWNXMTODSA-N 2 0 410.606 3.723 20 30 HHEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000486580833 998839385 /nfs/dbraw/zinc/83/93/85/998839385.db2.gz PZUHKOFAXLGHMO-JOCHJYFZSA-N 2 0 420.557 3.839 20 30 HHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000492853484 1000146966 /nfs/dbraw/zinc/14/69/66/1000146966.db2.gz QXXCEVLGMSMHDI-DEOSSOPVSA-N 2 0 417.557 3.687 20 30 HHEDRP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066583 1004168301 /nfs/dbraw/zinc/16/83/01/1004168301.db2.gz CRVVHBNOMXHAPV-VIHQBZHPSA-N 2 0 411.594 3.549 20 30 HHEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000511437598 1005176133 /nfs/dbraw/zinc/17/61/33/1005176133.db2.gz JUIKDRJGZHFUDS-LOSJGSFVSA-N 2 0 418.585 3.604 20 30 HHEDRP N#Cc1ccccc1COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000532269836 1006759968 /nfs/dbraw/zinc/75/99/68/1006759968.db2.gz FBTPXHRLTCHQNL-UIOOFZCWSA-N 2 0 419.569 3.995 20 30 HHEDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000548945767 1008531554 /nfs/dbraw/zinc/53/15/54/1008531554.db2.gz DWJPJKWBOLAYEV-RDPSFJRHSA-N 2 0 407.558 3.514 20 30 HHEDRP N#CCCn1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000536663919 1011814168 /nfs/dbraw/zinc/81/41/68/1011814168.db2.gz WTIRIEVTMFGSSH-UHFFFAOYSA-N 2 0 407.562 3.541 20 30 HHEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)CC1 ZINC000536709480 1011882248 /nfs/dbraw/zinc/88/22/48/1011882248.db2.gz GZMZYLORICCEOP-VWLOTQADSA-N 2 0 418.585 3.738 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000537108806 1012480102 /nfs/dbraw/zinc/48/01/02/1012480102.db2.gz KMEHRGJFUDQJSH-MSOLQXFVSA-N 2 0 423.536 3.517 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000303786259 972027176 /nfs/dbraw/zinc/02/71/76/972027176.db2.gz RCPQFBPHOOZLIB-SFHVURJKSA-N 2 0 410.562 3.683 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000303878193 972419145 /nfs/dbraw/zinc/41/91/45/972419145.db2.gz FVOCXARGQSDTNN-OALUTQOASA-N 2 0 424.589 3.786 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1OC ZINC000303883777 972424876 /nfs/dbraw/zinc/42/48/76/972424876.db2.gz MGGGSVVJDHDRSF-NRFANRHFSA-N 2 0 410.562 3.581 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000303901197 972470707 /nfs/dbraw/zinc/47/07/07/972470707.db2.gz SNTRFQYULTXETH-IBGZPJMESA-N 2 0 424.589 3.583 20 30 HHEDRP CCc1c(C(O)=CONC(=[NH2+])c2ccccc2C[NH+]2CCCCC2)[nH]c(C)c1C(C)=O ZINC000072085457 968980362 /nfs/dbraw/zinc/98/03/62/968980362.db2.gz XWQDFCLOUYFEAY-UHFFFAOYSA-N 2 0 424.545 3.594 20 30 HHEDRP C=CCn1c(C)cc(C(O)=CONC(=[NH2+])c2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000109213674 969480288 /nfs/dbraw/zinc/48/02/88/969480288.db2.gz RBKYLFGHWDWFBG-UHFFFAOYSA-N 2 0 408.546 3.797 20 30 HHEDRP Cc1ccc(NC(=[NH2+])NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1C ZINC000303968900 972556812 /nfs/dbraw/zinc/55/68/12/972556812.db2.gz BEEZYVFMWQIQOE-UHFFFAOYSA-N 2 0 410.562 3.720 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2cccc(C[NH+]3CCC(C)CC3)c2)cc1OC ZINC000303984249 972568462 /nfs/dbraw/zinc/56/84/62/972568462.db2.gz RXIJMKGQKSDHMV-UHFFFAOYSA-N 2 0 410.562 3.540 20 30 HHEDRP N#CCCn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(-c2ccncc2)n1 ZINC000433316061 979231939 /nfs/dbraw/zinc/23/19/39/979231939.db2.gz GSPPIVVGIVEUCQ-UHFFFAOYSA-N 2 0 400.530 3.744 20 30 HHEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000438056059 982557597 /nfs/dbraw/zinc/55/75/97/982557597.db2.gz ZLCFEKNUXFJLNJ-MOPGFXCFSA-N 2 0 417.623 3.961 20 30 HHEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)Nc1cccc(C#N)c1 ZINC000439597243 983465651 /nfs/dbraw/zinc/46/56/51/983465651.db2.gz NNNAZZVMPNAIGV-GOSISDBHSA-N 2 0 402.498 3.900 20 30 HHEDRP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC[C@@H]3CCCC[NH+]3C)sc2C1 ZINC000444172404 986349518 /nfs/dbraw/zinc/34/95/18/986349518.db2.gz REQTVGGFQGLPRV-SJORKVTESA-N 2 0 402.608 3.879 20 30 HHEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846492 989096804 /nfs/dbraw/zinc/09/68/04/989096804.db2.gz JVFIIOWGGOBSRK-IBGZPJMESA-N 2 0 410.949 3.994 20 30 HHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000489183740 999717972 /nfs/dbraw/zinc/71/79/72/999717972.db2.gz JMOXJTUSDSFQOD-RUZDIDTESA-N 2 0 416.569 3.898 20 30 HHEDRP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023274 1004126850 /nfs/dbraw/zinc/12/68/50/1004126850.db2.gz KEPSUGMTRPSEFD-INIZCTEOSA-N 2 0 423.586 3.679 20 30 HHEDRP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066568 1004168424 /nfs/dbraw/zinc/16/84/24/1004168424.db2.gz CRVVHBNOMXHAPV-ITGJCUMNSA-N 2 0 411.594 3.549 20 30 HHEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501079141 1004184367 /nfs/dbraw/zinc/18/43/67/1004184367.db2.gz RXFLUQYBXMEEFJ-LJQANCHMSA-N 2 0 412.603 3.895 20 30 HHEDRP N#Cc1cccc(COc2cccc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2)c1 ZINC000531759034 1006402618 /nfs/dbraw/zinc/40/26/18/1006402618.db2.gz CQIPRXXEQICHFD-LOSJGSFVSA-N 2 0 405.542 3.605 20 30 HHEDRP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860023 1009038224 /nfs/dbraw/zinc/03/82/24/1009038224.db2.gz RKYOYPGJTNKWKP-ZEQRLZLVSA-N 2 0 411.553 3.913 20 30 HHEDRP C=CC[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000521240415 1010246804 /nfs/dbraw/zinc/24/68/04/1010246804.db2.gz QVKGMXBQNQAXOV-UHFFFAOYSA-N 2 0 404.986 3.502 20 30 HHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)cc2)C1 ZINC000521467213 1010388447 /nfs/dbraw/zinc/38/84/47/1010388447.db2.gz GGKQTMYDNBZLNC-JXALWOEJSA-N 2 0 407.558 3.566 20 30 HHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)COc3ccc(C#N)cc3)cc2)C1 ZINC000521467215 1010388756 /nfs/dbraw/zinc/38/87/56/1010388756.db2.gz GGKQTMYDNBZLNC-ROKPMTFOSA-N 2 0 407.558 3.566 20 30 HHEDRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000551396559 1010560194 /nfs/dbraw/zinc/56/01/94/1010560194.db2.gz UDWRAKDKUQIPJO-HDICACEKSA-N 2 0 406.530 3.608 20 30 HHEDRP N#Cc1ccc(N2CC[C@@H]([NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)C2=O)cc1 ZINC000551589781 1010681798 /nfs/dbraw/zinc/68/17/98/1010681798.db2.gz JBZXSVGIROZRGU-XMMPIXPASA-N 2 0 414.553 3.652 20 30 HHEDRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000542831079 1013695741 /nfs/dbraw/zinc/69/57/41/1013695741.db2.gz JXOWEINTUSQWAP-UHFFFAOYSA-N 2 0 403.574 3.695 20 30 HHEDRP N#Cc1ccc(C[NH+]2CCC(Nc3cccc(C[NH+]4CCC(O)CC4)c3)CC2)cc1 ZINC000542831242 1013696462 /nfs/dbraw/zinc/69/64/62/1013696462.db2.gz JHHGWVKSUXMEGO-UHFFFAOYSA-N 2 0 404.558 3.591 20 30 HHEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)cc2)C[C@H](C)O1 ZINC000237634422 970325819 /nfs/dbraw/zinc/32/58/19/970325819.db2.gz UAKZWOZORRBXCT-OYRHEFFESA-N 2 0 406.574 3.935 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NCc2cccc(C[NH+]3CCCCCC3)c2)cc1OC ZINC000303973706 972560133 /nfs/dbraw/zinc/56/01/33/972560133.db2.gz HBHSCTKWKVIIBY-UHFFFAOYSA-N 2 0 424.589 3.727 20 30 HHEDRP [NH2+]=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000304749381 972603882 /nfs/dbraw/zinc/60/38/82/972603882.db2.gz WOWOTNCGLSCHFR-UHFFFAOYSA-N 2 0 406.574 3.973 20 30 HHEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000305644313 972613276 /nfs/dbraw/zinc/61/32/76/972613276.db2.gz CBDJPBVBVNFDDL-JLTOFOAXSA-N 2 0 420.916 3.916 20 30 HHEDRP CCCC[NH+]1CCC(Nc2ccc(C#N)c(NC3CC[NH+](CCCC)CC3)n2)CC1 ZINC000436314496 981294044 /nfs/dbraw/zinc/29/40/44/981294044.db2.gz DACNYWHOEBNODA-UHFFFAOYSA-N 2 0 412.626 4.306 20 30 HHEDRP N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3C[NH+]3CCCCC3)C2=O)cc1 ZINC000485441451 997883002 /nfs/dbraw/zinc/88/30/02/997883002.db2.gz WWQLJBHPQOFTJE-DEOSSOPVSA-N 2 0 402.542 3.829 20 30 HHEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000492723458 1000141142 /nfs/dbraw/zinc/14/11/42/1000141142.db2.gz QHKNOMUQHLIVLB-UHFFFAOYSA-N 2 0 408.384 3.891 20 30 HHEDRP CC[NH+]1CCN(c2ccccc2C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000507751527 1002325306 /nfs/dbraw/zinc/32/53/06/1002325306.db2.gz YLCHMSDEPUTKQF-UHFFFAOYSA-N 2 0 419.573 3.575 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000512056693 1003987892 /nfs/dbraw/zinc/98/78/92/1003987892.db2.gz LVLDAZBCYCTRDW-FQEVSTJZSA-N 2 0 424.511 3.619 20 30 HHEDRP N#Cc1cccc(COc2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)c2)c1 ZINC000531759847 1006403358 /nfs/dbraw/zinc/40/33/58/1006403358.db2.gz UUEGPSJOOYXHNA-FTJBHMTQSA-N 2 0 419.569 3.995 20 30 HHEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000538393563 1006663177 /nfs/dbraw/zinc/66/31/77/1006663177.db2.gz OSJRQIWIYFABAZ-RUZDIDTESA-N 2 0 402.586 3.677 20 30 HHEDRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000532512117 1006950181 /nfs/dbraw/zinc/95/01/81/1006950181.db2.gz XYJIAPDWBVSREE-SFHVURJKSA-N 2 0 402.970 3.984 20 30 HHEDRP COc1ccc([C@@H](CNC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000549161726 1008732488 /nfs/dbraw/zinc/73/24/88/1008732488.db2.gz IFSJBNFHAIYLKB-NTKDMRAZSA-N 2 0 420.557 3.561 20 30 HHEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536487099 1011699087 /nfs/dbraw/zinc/69/90/87/1011699087.db2.gz ZULKAAVLGOGYHU-NRFANRHFSA-N 2 0 408.590 3.706 20 30 HHEDRP C=CCc1cc(OCC)cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1O ZINC000760286835 1072174252 /nfs/dbraw/zinc/17/42/52/1072174252.db2.gz QUBYWGPQSGWRHQ-UHFFFAOYSA-N 2 0 401.595 3.510 20 30 HHEDRP N#Cc1ccc(NC2CC[NH+](CC3CC3)CC2)nc1NC1CC[NH+](CC2CC2)CC1 ZINC000302853494 971355009 /nfs/dbraw/zinc/35/50/09/971355009.db2.gz QWIJVWGCYBEYBU-UHFFFAOYSA-N 2 0 408.594 3.526 20 30 HHEDRP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000303876863 972418348 /nfs/dbraw/zinc/41/83/48/972418348.db2.gz FBTRMCDIJIFNPY-UHFFFAOYSA-N 2 0 421.589 3.530 20 30 HHEDRP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000304498867 972601456 /nfs/dbraw/zinc/60/14/56/972601456.db2.gz OPQSNCSNSFJHNJ-IBGZPJMESA-N 2 0 420.479 3.554 20 30 HHEDRP C[C@@H](NC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1Cl ZINC000305835876 972614995 /nfs/dbraw/zinc/61/49/95/972614995.db2.gz WSTYWRJMZUEKMN-RDTXWAMCSA-N 2 0 421.372 3.726 20 30 HHEDRP CC[NH+]1CCN(c2ccccc2C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000438465059 982816878 /nfs/dbraw/zinc/81/68/78/982816878.db2.gz ZFZMXFJYCGJIDZ-UHFFFAOYSA-N 2 0 419.573 3.575 20 30 HHEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)CC1 ZINC000472594262 993553266 /nfs/dbraw/zinc/55/32/66/993553266.db2.gz BYXRXKQBTDBXPR-RUZDIDTESA-N 2 0 402.586 3.598 20 30 HHEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000485336858 997754037 /nfs/dbraw/zinc/75/40/37/997754037.db2.gz LREKFVGXYNXMDC-ISKFKSNPSA-N 2 0 402.542 3.873 20 30 HHEDRP N#CC1(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000479282142 999363573 /nfs/dbraw/zinc/36/35/73/999363573.db2.gz KPRVHYLWBHGTBB-XMMPIXPASA-N 2 0 416.569 3.573 20 30 HHEDRP N#CC1(c2ccccc2)CCC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000500096896 1003457833 /nfs/dbraw/zinc/45/78/33/1003457833.db2.gz XSAZHMDPTHHOAD-UHFFFAOYSA-N 2 0 402.586 3.798 20 30 HHEDRP CN(c1ccccc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1)C1CC[NH+](C)CC1 ZINC000509113817 1003562349 /nfs/dbraw/zinc/56/23/49/1003562349.db2.gz URRHSXBLOAQSBR-UHFFFAOYSA-N 2 0 417.601 3.801 20 30 HHEDRP C=CCc1cc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(OC)c1O ZINC000538762163 1007046394 /nfs/dbraw/zinc/04/63/94/1007046394.db2.gz BBOUGCGGEZLIOY-KDURUIRLSA-N 2 0 402.579 3.841 20 30 HHEDRP N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3C[NH+]3CCC(O)CC3)CC2)cc1 ZINC000543759156 1009332010 /nfs/dbraw/zinc/33/20/10/1009332010.db2.gz IXYZBFAMTAEDLW-UHFFFAOYSA-N 2 0 404.558 3.591 20 30 HHEDRP COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)ccc1C#N ZINC000550271020 1009821194 /nfs/dbraw/zinc/82/11/94/1009821194.db2.gz GVCKKXZFBPEDMG-HSZRJFAPSA-N 2 0 405.542 3.585 20 30 HHEDRP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000587309909 1072568288 /nfs/dbraw/zinc/56/82/88/1072568288.db2.gz ZUAKKQHGRGTDMN-YSTOQKLRSA-N 2 0 424.549 3.544 20 30 HHEDRP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303865928 972408001 /nfs/dbraw/zinc/40/80/01/972408001.db2.gz BXWXJEIHNHCGHG-UHFFFAOYSA-N 2 0 402.486 3.673 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000303887051 972427593 /nfs/dbraw/zinc/42/75/93/972427593.db2.gz KSPHWDNJAKKXIB-SFHVURJKSA-N 2 0 410.562 3.540 20 30 HHEDRP COc1ccc(NC(=[NH2+])NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1Cl ZINC000303890853 972430799 /nfs/dbraw/zinc/43/07/99/972430799.db2.gz MTMKLKAFEVQDPX-IYBDPMFKSA-N 2 0 416.953 3.885 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000538212403 1013765272 /nfs/dbraw/zinc/76/52/72/1013765272.db2.gz IJFKWWLDXYTDDR-SFHVURJKSA-N 2 0 423.536 3.519 20 30 HHEDRP CN(c1ccccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000554559746 1013977196 /nfs/dbraw/zinc/97/71/96/1013977196.db2.gz AYCBCHGGOHNQBD-UHFFFAOYSA-N 2 0 403.574 3.669 20 30 HHEDRP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000304488839 972601609 /nfs/dbraw/zinc/60/16/09/972601609.db2.gz MTPVPOIRMOEJDQ-INIZCTEOSA-N 2 0 412.481 3.888 20 30 HHEDRP N#CCCn1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000435126182 980658377 /nfs/dbraw/zinc/65/83/77/980658377.db2.gz KARABELOGMRLDA-UHFFFAOYSA-N 2 0 406.578 3.947 20 30 HHEDRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)Nc1ccccc1C#N ZINC000439596075 983465178 /nfs/dbraw/zinc/46/51/78/983465178.db2.gz NEYAEKPWYHQZQU-SFHVURJKSA-N 2 0 402.498 3.900 20 30 HHEDRP N#Cc1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000462784791 985720303 /nfs/dbraw/zinc/72/03/03/985720303.db2.gz JYSDEYHJTWSKFI-UKAVVXHISA-N 2 0 424.549 3.544 20 30 HHEDRP N#Cc1ccc(NC2CC([NH+]3CCCCC3)C2)nc1NC1CC([NH+]2CCCCC2)C1 ZINC000480814037 993687503 /nfs/dbraw/zinc/68/75/03/993687503.db2.gz WIJAHUNGSZURRO-UHFFFAOYSA-N 2 0 408.594 3.811 20 30 HHEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000477066088 997712405 /nfs/dbraw/zinc/71/24/05/997712405.db2.gz JUNXXHNUQDMKCP-VWLOTQADSA-N 2 0 402.542 3.875 20 30 HHEDRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000512249011 1004152325 /nfs/dbraw/zinc/15/23/25/1004152325.db2.gz KSQPSUWCBWQQDV-LJQANCHMSA-N 2 0 402.558 3.905 20 30 HHEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC000503398864 1005408145 /nfs/dbraw/zinc/40/81/45/1005408145.db2.gz KJGJNXOCMXIPHK-GOTSBHOMSA-N 2 0 404.643 3.839 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537108450 1012479182 /nfs/dbraw/zinc/47/91/82/1012479182.db2.gz UHBAWZVQZCBOKJ-ROUUACIJSA-N 2 0 423.536 3.517 20 30 HHEDRP COc1ccc(Cn2nc(C(=[NH2+])NC3CCC([NH+](C)C)CC3)c3ccccc32)cc1 ZINC001168312113 1072491741 /nfs/dbraw/zinc/49/17/41/1072491741.db2.gz KCAWHIXBIQTLON-UHFFFAOYSA-N 2 0 405.546 3.671 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1OC ZINC000303770582 972018032 /nfs/dbraw/zinc/01/80/32/972018032.db2.gz BYINALLQEBBIAR-SFHVURJKSA-N 2 0 410.562 3.683 20 30 HHEDRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000063750634 966946377 /nfs/dbraw/zinc/94/63/77/966946377.db2.gz DYKIUTZFNGUAAJ-UHFFFAOYSA-N 2 0 418.585 3.858 20 30 HHEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)C(C)C ZINC000043490278 966982039 /nfs/dbraw/zinc/98/20/39/966982039.db2.gz SOGLBWDDDADFGO-HSZRJFAPSA-N 2 0 413.610 3.567 20 30 HHEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000236953762 970194158 /nfs/dbraw/zinc/19/41/58/970194158.db2.gz BDORFKOICNTQCQ-OAQYLSRUSA-N 2 0 406.574 3.500 20 30 HHEDRP C[N@H+](CCOc1cccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)c1)C1CCOCC1 ZINC000303969169 972557017 /nfs/dbraw/zinc/55/70/17/972557017.db2.gz BNOSASJKHSDMGA-UHFFFAOYSA-N 2 0 422.573 3.592 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1OC ZINC000303977673 972563056 /nfs/dbraw/zinc/56/30/56/972563056.db2.gz LLOMXRAIGYQJGC-UHFFFAOYSA-N 2 0 424.589 3.727 20 30 HHEDRP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000304498870 972601136 /nfs/dbraw/zinc/60/11/36/972601136.db2.gz OPQSNCSNSFJHNJ-LJQANCHMSA-N 2 0 420.479 3.554 20 30 HHEDRP COc1ccc(NC(=[NH2+])NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC ZINC000304751477 972604261 /nfs/dbraw/zinc/60/42/61/972604261.db2.gz JIHUGTNDVOTAIC-UHFFFAOYSA-N 2 0 416.953 3.996 20 30 HHEDRP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC[C@H]3CCCC[NH+]3C)sc2C1 ZINC000444172396 986348644 /nfs/dbraw/zinc/34/86/44/986348644.db2.gz REQTVGGFQGLPRV-DLBZAZTESA-N 2 0 402.608 3.879 20 30 HHEDRP C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000444675067 986857669 /nfs/dbraw/zinc/85/76/69/986857669.db2.gz QPBOMEQHFOUQKH-OZXSUGGESA-N 2 0 416.613 3.844 20 30 HHEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000485336860 997754123 /nfs/dbraw/zinc/75/41/23/997754123.db2.gz LREKFVGXYNXMDC-UPVQGACJSA-N 2 0 402.542 3.873 20 30 HHEDRP N#CC1(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000479210689 999327333 /nfs/dbraw/zinc/32/73/33/999327333.db2.gz DAEBHKVVKIUORD-UHFFFAOYSA-N 2 0 416.569 3.573 20 30 HHEDRP C=CC[NH+]1CCC(NC(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)CC1 ZINC000489250191 999730195 /nfs/dbraw/zinc/73/01/95/999730195.db2.gz IMQXVXSOHUYJCA-UHFFFAOYSA-N 2 0 420.601 3.981 20 30 HHEDRP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OCCCC#N ZINC000512181248 1004083222 /nfs/dbraw/zinc/08/32/22/1004083222.db2.gz PLBZWSKGEGSKJG-PMACEKPBSA-N 2 0 415.578 3.699 20 30 HHEDRP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501065867 1004168571 /nfs/dbraw/zinc/16/85/71/1004168571.db2.gz AFNUKNWZTWJMKG-IBGZPJMESA-N 2 0 423.536 3.704 20 30 HHEDRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000501769357 1004706340 /nfs/dbraw/zinc/70/63/40/1004706340.db2.gz IDZXBOWYLIHHPW-QGZVFWFLSA-N 2 0 420.985 3.609 20 30 HHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000513690967 1005084100 /nfs/dbraw/zinc/08/41/00/1005084100.db2.gz OVBMJUOYQFFZRL-OYRHEFFESA-N 2 0 418.585 3.926 20 30 HHEDRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cc2)C[C@H](C)O1 ZINC000514094159 1005262555 /nfs/dbraw/zinc/26/25/55/1005262555.db2.gz MBSLLKOUTKWFQE-SFTDATJTSA-N 2 0 418.585 3.926 20 30 HHEDRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)cc2)CC1 ZINC000514955855 1006216395 /nfs/dbraw/zinc/21/63/95/1006216395.db2.gz AGSJYLQYDNOYDU-UHFFFAOYSA-N 2 0 418.585 3.785 20 30 HHEDRP N#Cc1ccccc1COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000532270363 1006760799 /nfs/dbraw/zinc/76/07/99/1006760799.db2.gz KYEOVVXGPFHAQC-RPBOFIJWSA-N 2 0 405.542 3.605 20 30 HHEDRP C=CCSc1ccccc1NC(=O)CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000533278619 1007590043 /nfs/dbraw/zinc/59/00/43/1007590043.db2.gz QURAHRRWQPRVFA-KDURUIRLSA-N 2 0 417.619 3.724 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000539314713 1007612794 /nfs/dbraw/zinc/61/27/94/1007612794.db2.gz YXZCJZLPBKJZAK-SFHVURJKSA-N 2 0 423.536 3.519 20 30 HHEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000518333276 1008265315 /nfs/dbraw/zinc/26/53/15/1008265315.db2.gz PYSXMXDRBATBQO-NRFANRHFSA-N 2 0 404.986 3.644 20 30 HHEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)cc2)C1 ZINC000521467216 1010388548 /nfs/dbraw/zinc/38/85/48/1010388548.db2.gz GGKQTMYDNBZLNC-YOSAUDMPSA-N 2 0 407.558 3.566 20 30 HHEDRP CCC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(C#N)cc1 ZINC000522096991 1010809747 /nfs/dbraw/zinc/80/97/47/1010809747.db2.gz GIDSRNGICQSOIJ-UHFFFAOYSA-N 2 0 404.558 3.682 20 30 HHEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000554863712 1072922366 /nfs/dbraw/zinc/92/23/66/1072922366.db2.gz VVNXIMGNNTUGTC-RDPSFJRHSA-N 2 0 407.558 3.657 20 30 HHEDRP [NH2+]=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1 ZINC000303366468 971662041 /nfs/dbraw/zinc/66/20/41/971662041.db2.gz HEQVPFSHRRVQOG-UHFFFAOYSA-N 2 0 405.468 3.644 20 30 HHEDRP Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000303793882 972031710 /nfs/dbraw/zinc/03/17/10/972031710.db2.gz ZXOMMFCMDZFZKR-XMMPIXPASA-N 2 0 407.606 3.825 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000303895984 972435103 /nfs/dbraw/zinc/43/51/03/972435103.db2.gz PTUNMDGPFKLEDL-SFHVURJKSA-N 2 0 410.562 3.540 20 30 HHEDRP [NH2+]=C(NCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1OC(F)(F)F ZINC000305265901 972611602 /nfs/dbraw/zinc/61/16/02/972611602.db2.gz YVFTWCSCOJNXIR-UHFFFAOYSA-N 2 0 421.467 3.524 20 30 HHEDRP COc1cc(C#N)ccc1OCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433182122 979124371 /nfs/dbraw/zinc/12/43/71/979124371.db2.gz ZUGVJICAPNDRRI-UHFFFAOYSA-N 2 0 405.542 3.934 20 30 HHEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000439612533 983471147 /nfs/dbraw/zinc/47/11/47/983471147.db2.gz SJQXZOXBXTXNQT-XMMPIXPASA-N 2 0 414.509 3.678 20 30 HHEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000442689807 985160906 /nfs/dbraw/zinc/16/09/06/985160906.db2.gz UPEOYWFBNTVXCS-FQEVSTJZSA-N 2 0 404.558 3.579 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482467168 995471180 /nfs/dbraw/zinc/47/11/80/995471180.db2.gz GZYLKDZTFYZQBZ-UPVQGACJSA-N 2 0 410.606 3.723 20 30 HHEDRP C=C(C)[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccc(F)c(F)c1 ZINC000483316544 996094568 /nfs/dbraw/zinc/09/45/68/996094568.db2.gz UVRCWLHQKCJVRZ-WIYYLYMNSA-N 2 0 408.537 3.640 20 30 HHEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000485332051 997747429 /nfs/dbraw/zinc/74/74/29/997747429.db2.gz PXHNKMBJQWLLAA-LADGPHEKSA-N 2 0 402.542 3.873 20 30 HHEDRP N#Cc1ccccc1COc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000506907202 1001589165 /nfs/dbraw/zinc/58/91/65/1001589165.db2.gz FTCCXZBNOSFZAV-UHFFFAOYSA-N 2 0 405.542 3.681 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000512056695 1003988083 /nfs/dbraw/zinc/98/80/83/1003988083.db2.gz LVLDAZBCYCTRDW-HXUWFJFHSA-N 2 0 424.511 3.619 20 30 HHEDRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000513690968 1005083971 /nfs/dbraw/zinc/08/39/71/1005083971.db2.gz OVBMJUOYQFFZRL-SFTDATJTSA-N 2 0 418.585 3.926 20 30 HHEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000548945768 1008530967 /nfs/dbraw/zinc/53/09/67/1008530967.db2.gz DWJPJKWBOLAYEV-YKSBVNFPSA-N 2 0 407.558 3.514 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000519285984 1008696734 /nfs/dbraw/zinc/69/67/34/1008696734.db2.gz QNSGURIGJGCAIY-NRFANRHFSA-N 2 0 404.986 3.817 20 30 HHEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000549194564 1008768021 /nfs/dbraw/zinc/76/80/21/1008768021.db2.gz KXVNAGQCAUDWBB-OTPAQWSUSA-N 2 0 421.585 3.760 20 30 HHEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)CC1 ZINC000520330756 1009463009 /nfs/dbraw/zinc/46/30/09/1009463009.db2.gz RADANUVHRGITBG-SANMLTNESA-N 2 0 416.613 3.987 20 30 HHEDRP COc1ccccc1[C@H]1CC[N@H+](CC#CC[NH+]2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000551385201 1010552765 /nfs/dbraw/zinc/55/27/65/1010552765.db2.gz HVEAKYFUDLZNPL-SZPZYZBQSA-N 2 0 404.554 3.986 20 30 HHEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536487109 1011699318 /nfs/dbraw/zinc/69/93/18/1011699318.db2.gz ZULKAAVLGOGYHU-OAQYLSRUSA-N 2 0 408.590 3.706 20 30 HHEDRP CC[N@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1)C(C)C ZINC000523889762 1012593295 /nfs/dbraw/zinc/59/32/95/1012593295.db2.gz YGGWXPXGUQKDKY-UHFFFAOYSA-N 2 0 406.574 3.993 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1OC ZINC000303770579 972018287 /nfs/dbraw/zinc/01/82/87/972018287.db2.gz BYINALLQEBBIAR-GOSISDBHSA-N 2 0 410.562 3.683 20 30 HHEDRP CC(C)Oc1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000303893029 972432485 /nfs/dbraw/zinc/43/24/85/972432485.db2.gz OAKVMMPHPRWUEN-UHFFFAOYSA-N 2 0 409.578 3.803 20 30 HHEDRP CC(C)[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(C#N)cc1 ZINC000063750633 966946515 /nfs/dbraw/zinc/94/65/15/966946515.db2.gz PJUXHTBJYQXONU-UHFFFAOYSA-N 2 0 404.558 3.681 20 30 HHEDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2F)CC1 ZINC000237007055 970205982 /nfs/dbraw/zinc/20/59/82/970205982.db2.gz WDAAYALDOLKOQF-UHFFFAOYSA-N 2 0 410.537 3.940 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2cccc(C[NH+]3CCCCCC3)c2)cc1OC ZINC000303980761 972566332 /nfs/dbraw/zinc/56/63/32/972566332.db2.gz OMFDEYSVHGIJAT-UHFFFAOYSA-N 2 0 410.562 3.684 20 30 HHEDRP CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000304733784 972604340 /nfs/dbraw/zinc/60/43/40/972604340.db2.gz VHHJJQZVTMQMEG-UHFFFAOYSA-N 2 0 422.617 3.987 20 30 HHEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1OC ZINC000305710285 972613120 /nfs/dbraw/zinc/61/31/20/972613120.db2.gz XIIBTPKWQXIODP-VBKZILBWSA-N 2 0 420.916 3.916 20 30 HHEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433080309 979062305 /nfs/dbraw/zinc/06/23/05/979062305.db2.gz BUVQQKOEGOOQRD-HXUWFJFHSA-N 2 0 402.542 3.873 20 30 HHEDRP N#CCCn1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000433307990 979227984 /nfs/dbraw/zinc/22/79/84/979227984.db2.gz XDKSVCDEKPHPNZ-UHFFFAOYSA-N 2 0 414.557 3.861 20 30 HHEDRP N#CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(-c2ccncc2)n1 ZINC000433345504 979252162 /nfs/dbraw/zinc/25/21/62/979252162.db2.gz XURPPXGSDNMGIO-UHFFFAOYSA-N 2 0 400.530 3.744 20 30 HHEDRP N#Cc1ccc(C[NH+]2CCCN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000438135416 982606344 /nfs/dbraw/zinc/60/63/44/982606344.db2.gz APNACHXTGWTBIG-XMMPIXPASA-N 2 0 423.605 3.573 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000444186218 986363611 /nfs/dbraw/zinc/36/36/11/986363611.db2.gz RWCQFHPZMNSAMG-UHFFFAOYSA-N 2 0 408.590 3.565 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470071190 987968976 /nfs/dbraw/zinc/96/89/76/987968976.db2.gz IUKMNHRHGSIEGE-LJQANCHMSA-N 2 0 412.500 3.648 20 30 HHEDRP N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3C[NH+]3CCCCC3)C2=O)cc1 ZINC000485441453 997882866 /nfs/dbraw/zinc/88/28/66/997882866.db2.gz WWQLJBHPQOFTJE-XMMPIXPASA-N 2 0 402.542 3.829 20 30 HHEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000490341450 999940605 /nfs/dbraw/zinc/94/06/05/999940605.db2.gz PVSZTRQTRJLRNH-UHFFFAOYSA-N 2 0 409.578 3.529 20 30 HHEDRP CC[N@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1)C(C)C ZINC000508943115 1003395937 /nfs/dbraw/zinc/39/59/37/1003395937.db2.gz VUJADJGWWBDRIF-UHFFFAOYSA-N 2 0 406.574 3.993 20 30 HHEDRP N#Cc1ccccc1COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000532269835 1006760390 /nfs/dbraw/zinc/76/03/90/1006760390.db2.gz FBTPXHRLTCHQNL-IZZNHLLZSA-N 2 0 419.569 3.995 20 30 HHEDRP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043494 1008252861 /nfs/dbraw/zinc/25/28/61/1008252861.db2.gz ADMVYCGUJADYIG-NRFANRHFSA-N 2 0 419.573 3.955 20 30 HHEDRP COc1ccccc1[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](c3ccccc3OC)C2)C1 ZINC000551385202 1010552465 /nfs/dbraw/zinc/55/24/65/1010552465.db2.gz HVEAKYFUDLZNPL-VXKWHMMOSA-N 2 0 404.554 3.986 20 30 HHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC1 ZINC000303332913 971636938 /nfs/dbraw/zinc/63/69/38/971636938.db2.gz USEIOYMDVMMCTE-UHFFFAOYSA-N 2 0 406.574 3.865 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1OC ZINC000303793128 972031564 /nfs/dbraw/zinc/03/15/64/972031564.db2.gz ZDOHCURCZKZVDK-GOSISDBHSA-N 2 0 416.591 3.643 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000303878195 972419422 /nfs/dbraw/zinc/41/94/22/972419422.db2.gz FVOCXARGQSDTNN-RTBURBONSA-N 2 0 424.589 3.786 20 30 HHEDRP COc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1Cl ZINC000303890852 972430596 /nfs/dbraw/zinc/43/05/96/972430596.db2.gz MTMKLKAFEVQDPX-HZPDHXFCSA-N 2 0 416.953 3.885 20 30 HHEDRP CCN1CC[NH+](C[C@@H](C)C[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000303905478 972475782 /nfs/dbraw/zinc/47/57/82/972475782.db2.gz ZLHDOCGHCVAAHZ-QFIPXVFZSA-N 2 0 407.606 3.826 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000303901200 972470648 /nfs/dbraw/zinc/47/06/48/972470648.db2.gz SNTRFQYULTXETH-LJQANCHMSA-N 2 0 424.589 3.583 20 30 HHEDRP C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096953973 969062136 /nfs/dbraw/zinc/06/21/36/969062136.db2.gz NUKJNMWGXQAYCP-UHFFFAOYSA-N 2 0 406.574 3.845 20 30 HHEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)[C@H]1c1cccs1 ZINC000304793218 972607120 /nfs/dbraw/zinc/60/71/20/972607120.db2.gz LLWQPMMLELDHBE-YWZLYKJASA-N 2 0 400.548 3.719 20 30 HHEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1OC ZINC000305710283 972613410 /nfs/dbraw/zinc/61/34/10/972613410.db2.gz XIIBTPKWQXIODP-JLTOFOAXSA-N 2 0 420.916 3.916 20 30 HHEDRP CC(C)Oc1ccc(NC(=[NH2+])NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000305756493 972614751 /nfs/dbraw/zinc/61/47/51/972614751.db2.gz BBJMIIRCPGWIOV-UHFFFAOYSA-N 2 0 410.562 3.918 20 30 HHEDRP C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000437072894 981745293 /nfs/dbraw/zinc/74/52/93/981745293.db2.gz MISVFUHSPSUSHO-OSFYOIPJSA-N 2 0 408.546 3.934 20 30 HHEDRP N#Cc1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000462784790 985720004 /nfs/dbraw/zinc/72/00/04/985720004.db2.gz JYSDEYHJTWSKFI-KOUHRCEDSA-N 2 0 424.549 3.544 20 30 HHEDRP N#Cc1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000462784792 985720495 /nfs/dbraw/zinc/72/04/95/985720495.db2.gz JYSDEYHJTWSKFI-VURPSTOHSA-N 2 0 424.549 3.544 20 30 HHEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000486580834 998839336 /nfs/dbraw/zinc/83/93/36/998839336.db2.gz PZUHKOFAXLGHMO-QFIPXVFZSA-N 2 0 420.557 3.839 20 30 HHEDRP CC[NH+](CC)Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000513653502 1005067436 /nfs/dbraw/zinc/06/74/36/1005067436.db2.gz FMNJRDGUNWCWAI-UHFFFAOYSA-N 2 0 404.558 3.817 20 30 HHEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC000503398866 1005408114 /nfs/dbraw/zinc/40/81/14/1005408114.db2.gz KJGJNXOCMXIPHK-XZOQPEGZSA-N 2 0 404.643 3.839 20 30 HHEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000534209723 1006203374 /nfs/dbraw/zinc/20/33/74/1006203374.db2.gz WPESZOXIGPDKOD-UHFFFAOYSA-N 2 0 414.937 3.569 20 30 HHEDRP N#Cc1cccc(COc2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)c2)c1 ZINC000531759846 1006403617 /nfs/dbraw/zinc/40/36/17/1006403617.db2.gz UUEGPSJOOYXHNA-CLJLJLNGSA-N 2 0 419.569 3.995 20 30 HHEDRP N#Cc1ccccc1COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000532270362 1006760546 /nfs/dbraw/zinc/76/05/46/1006760546.db2.gz KYEOVVXGPFHAQC-LOSJGSFVSA-N 2 0 405.542 3.605 20 30 HHEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccc(OCCCC#N)c3)CC2)CC1 ZINC000538724873 1007003118 /nfs/dbraw/zinc/00/31/18/1007003118.db2.gz HAUNWPUYZNPTPK-UHFFFAOYSA-N 2 0 412.622 3.997 20 30 HHEDRP CC[N@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1)C1CC1 ZINC000520234669 1009356239 /nfs/dbraw/zinc/35/62/39/1009356239.db2.gz YCKJTAJYWZDMDA-UHFFFAOYSA-N 2 0 404.558 3.747 20 30 HHEDRP CCCOc1ccccc1Oc1ncccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303872126 972414407 /nfs/dbraw/zinc/41/44/07/972414407.db2.gz BTTSODSGZKIHJL-IBGZPJMESA-N 2 0 411.550 3.551 20 30 HHEDRP C=C(C)COc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1OC ZINC000060948656 966334119 /nfs/dbraw/zinc/33/41/19/966334119.db2.gz OAJJNCPCWWTBHN-UHFFFAOYSA-N 2 0 409.574 3.687 20 30 HHEDRP C[NH+]1CCC(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)(N2CCCCC2)CC1 ZINC000237066122 970216677 /nfs/dbraw/zinc/21/66/77/970216677.db2.gz YKNSXLAMCABFTP-UHFFFAOYSA-N 2 0 420.605 3.504 20 30 HHEDRP [NH2+]=C(NCC1(C[NH+]2CCOCC2)CCCCC1)Nc1ccccc1OC(F)(F)F ZINC000305218352 972611414 /nfs/dbraw/zinc/61/14/14/972611414.db2.gz IULVXTSPAUTXDM-UHFFFAOYSA-N 2 0 414.472 3.595 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000426142640 974262298 /nfs/dbraw/zinc/26/22/98/974262298.db2.gz IYUBNQCAPBIYBP-UHFFFAOYSA-N 2 0 400.567 3.713 20 30 HHEDRP N#CCCn1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(-c2ccncc2)n1 ZINC000433318592 979232882 /nfs/dbraw/zinc/23/28/82/979232882.db2.gz MBDIGGLFYITRQB-UHFFFAOYSA-N 2 0 420.586 3.922 20 30 HHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000481934590 994806808 /nfs/dbraw/zinc/80/68/08/994806808.db2.gz VAWVLXQNJKXGBH-ZCYQVOJMSA-N 2 0 416.569 3.813 20 30 HHEDRP C=C(C)[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccc(F)c(F)c1 ZINC000483316541 996094649 /nfs/dbraw/zinc/09/46/49/996094649.db2.gz UVRCWLHQKCJVRZ-GHTZIAJQSA-N 2 0 408.537 3.640 20 30 HHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000538943947 1007227676 /nfs/dbraw/zinc/22/76/76/1007227676.db2.gz RIVFOHIHIHWYEX-UHFFFAOYSA-N 2 0 402.502 3.742 20 30 HHEDRP COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)ccc1C#N ZINC000550271021 1009821778 /nfs/dbraw/zinc/82/17/78/1009821778.db2.gz GVCKKXZFBPEDMG-QHCPKHFHSA-N 2 0 405.542 3.585 20 30 HHEDRP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000587309904 1072568253 /nfs/dbraw/zinc/56/82/53/1072568253.db2.gz ZUAKKQHGRGTDMN-MTQWCTHYSA-N 2 0 424.549 3.544 20 30 HHEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000303790600 972029618 /nfs/dbraw/zinc/02/96/18/972029618.db2.gz WORZZDDYBRPUPI-SFHVURJKSA-N 2 0 402.564 3.965 20 30 HHEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000236949886 970193046 /nfs/dbraw/zinc/19/30/46/970193046.db2.gz BDORFKOICNTQCQ-NRFANRHFSA-N 2 0 406.574 3.500 20 30 HHEDRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000237165359 970234284 /nfs/dbraw/zinc/23/42/84/970234284.db2.gz MZXXPAQPFWUUPM-UHFFFAOYSA-N 2 0 406.574 3.500 20 30 HHEDRP COc1ccc(OC)c(NC(=[NH2+])NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000304753102 972604241 /nfs/dbraw/zinc/60/42/41/972604241.db2.gz KWWBVCXZAYRWAK-UHFFFAOYSA-N 2 0 416.953 3.996 20 30 HHEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)[C@H]1OCCc2sccc21)[C@@H]1OCCc2sccc21 ZINC000429136326 976423093 /nfs/dbraw/zinc/42/30/93/976423093.db2.gz WSKLEAKZACPKKQ-WGKKAQPQSA-N 2 0 416.612 3.697 20 30 HHEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000438056106 982557715 /nfs/dbraw/zinc/55/77/15/982557715.db2.gz ZLCFEKNUXFJLNJ-RBUKOAKNSA-N 2 0 417.623 3.961 20 30 HHEDRP C[N@H+](CCNC(=O)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000438313451 982717231 /nfs/dbraw/zinc/71/72/31/982717231.db2.gz FCMYWOQLDURSNW-UHFFFAOYSA-N 2 0 423.988 3.652 20 30 HHEDRP N#CC1(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000482610699 995608506 /nfs/dbraw/zinc/60/85/06/995608506.db2.gz WILLSJXBIYNHND-UHFFFAOYSA-N 2 0 411.509 3.535 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000475126725 995939191 /nfs/dbraw/zinc/93/91/91/995939191.db2.gz CRTLRSAHSVXWBF-RUZDIDTESA-N 2 0 410.606 3.725 20 30 HHEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000485351935 997773563 /nfs/dbraw/zinc/77/35/63/997773563.db2.gz SKLLOKFPUHKQSX-LADGPHEKSA-N 2 0 402.542 3.873 20 30 HHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000492853485 1000147003 /nfs/dbraw/zinc/14/70/03/1000147003.db2.gz QXXCEVLGMSMHDI-XMMPIXPASA-N 2 0 417.557 3.687 20 30 HHEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501020589 1004123089 /nfs/dbraw/zinc/12/30/89/1004123089.db2.gz MIFGLJXZLZSZMK-UHFFFAOYSA-N 2 0 411.937 3.784 20 30 HHEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000531122330 1006005178 /nfs/dbraw/zinc/00/51/78/1006005178.db2.gz BYMWFWVHVLSVCB-UHFFFAOYSA-N 2 0 414.937 3.569 20 30 HHEDRP N#Cc1cccc(COc2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2)c1 ZINC000531759033 1006402633 /nfs/dbraw/zinc/40/26/33/1006402633.db2.gz CQIPRXXEQICHFD-JWQCQUIFSA-N 2 0 405.542 3.605 20 30 HHEDRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000532512116 1006949619 /nfs/dbraw/zinc/94/96/19/1006949619.db2.gz XYJIAPDWBVSREE-GOSISDBHSA-N 2 0 402.970 3.984 20 30 HHEDRP C=CCc1cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc(OC)c1O ZINC000538762165 1007046869 /nfs/dbraw/zinc/04/68/69/1007046869.db2.gz BBOUGCGGEZLIOY-RTBURBONSA-N 2 0 402.579 3.841 20 30 HHEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719018 1011369428 /nfs/dbraw/zinc/36/94/28/1011369428.db2.gz PMUQXDIJCJHLAG-LEWJYISDSA-N 2 0 422.976 3.953 20 30 HHEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719026 1011370243 /nfs/dbraw/zinc/37/02/43/1011370243.db2.gz PMUQXDIJCJHLAG-RTWAWAEBSA-N 2 0 422.976 3.953 20 30 HHEDRP CC(C)C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(C#N)cc1 ZINC000523611360 1012181503 /nfs/dbraw/zinc/18/15/03/1012181503.db2.gz ZZXZIOIKWWDEFH-UHFFFAOYSA-N 2 0 418.585 3.928 20 30 HHEDRP COc1ccc(Cn2nc(C(=[NH2+])NC3CC[NH+](CC4CC4)CC3)c3ccccc32)cc1 ZINC001168371485 1072019151 /nfs/dbraw/zinc/01/91/51/1072019151.db2.gz NAXCDYXYRKWMSK-UHFFFAOYSA-N 2 0 417.557 3.673 20 30 HHEDRP CC(C)Oc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000303901532 972471002 /nfs/dbraw/zinc/47/10/02/972471002.db2.gz STMLVPMLQPEDDD-QHCPKHFHSA-N 2 0 409.578 3.579 20 30 HHEDRP C#CC[NH+]1CCC(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000050027745 964244733 /nfs/dbraw/zinc/24/47/33/964244733.db2.gz XVVPEDWPAJACEP-UHFFFAOYSA-N 2 0 415.581 3.911 20 30 HHEDRP C#CC[NH+]1CCC(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000109407534 969513583 /nfs/dbraw/zinc/51/35/83/969513583.db2.gz PXAJYJLAOGUEFU-UHFFFAOYSA-N 2 0 410.389 3.619 20 30 HHEDRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000554558708 1013977276 /nfs/dbraw/zinc/97/72/76/1013977276.db2.gz LOSVIZYPHMXJQN-UHFFFAOYSA-N 2 0 403.574 3.671 20 30 HHEDRP COc1ccc(NC(=[NH2+])NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1Cl ZINC000305758607 972614958 /nfs/dbraw/zinc/61/49/58/972614958.db2.gz CJUAEJYVYSCQQU-UHFFFAOYSA-N 2 0 416.953 3.793 20 30 HHEDRP C[NH+](C)CCOc1cc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)ccn1 ZINC000305715911 972615119 /nfs/dbraw/zinc/61/51/19/972615119.db2.gz ZZNCJUWLVNUYBD-UHFFFAOYSA-N 2 0 405.502 3.741 20 30 HHEDRP C[N@H+](CCNC(=O)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000426453470 974459926 /nfs/dbraw/zinc/45/99/26/974459926.db2.gz GSCXVIMUGRTFFV-UHFFFAOYSA-N 2 0 423.988 3.652 20 30 HHEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21)[C@H]1OCCc2sccc21 ZINC000429136324 976422960 /nfs/dbraw/zinc/42/29/60/976422960.db2.gz WSKLEAKZACPKKQ-NLZGTENKSA-N 2 0 416.612 3.697 20 30 HHEDRP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000434990204 980553562 /nfs/dbraw/zinc/55/35/62/980553562.db2.gz FZHCRRAYUCIWHJ-UHFFFAOYSA-N 2 0 415.545 3.602 20 30 HHEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)Nc1ccccc1C#N ZINC000439596068 983465133 /nfs/dbraw/zinc/46/51/33/983465133.db2.gz NEYAEKPWYHQZQU-GOSISDBHSA-N 2 0 402.498 3.900 20 30 HHEDRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000472143158 993198344 /nfs/dbraw/zinc/19/83/44/993198344.db2.gz YAGICVLPAGZOEA-UHFFFAOYSA-N 2 0 406.574 3.643 20 30 HHEDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)CC1 ZINC000472594263 993553069 /nfs/dbraw/zinc/55/30/69/993553069.db2.gz BYXRXKQBTDBXPR-VWLOTQADSA-N 2 0 402.586 3.598 20 30 HHEDRP N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000506052165 1001193214 /nfs/dbraw/zinc/19/32/14/1001193214.db2.gz RDWOWDWXLXGECH-UHFFFAOYSA-N 2 0 406.368 3.645 20 30 HHEDRP N#CCCn1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000507718406 1002307229 /nfs/dbraw/zinc/30/72/29/1002307229.db2.gz ZUCHSSMKCIGSGD-UHFFFAOYSA-N 2 0 421.589 3.788 20 30 HHEDRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)C[C@H]1C ZINC000538454069 1006723678 /nfs/dbraw/zinc/72/36/78/1006723678.db2.gz ITRASSADMSYPCM-WOJBJXKFSA-N 2 0 417.557 3.505 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000534959067 1007004908 /nfs/dbraw/zinc/00/49/08/1007004908.db2.gz APAJDHTUSLINDE-DYESRHJHSA-N 2 0 422.976 3.812 20 30 HHEDRP CC[NH+]1CCN(Cc2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)CC1 ZINC000537432583 1012921508 /nfs/dbraw/zinc/92/15/08/1012921508.db2.gz GYNLVWSNKSMEOO-UHFFFAOYSA-N 2 0 417.601 3.772 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1OC ZINC000303979436 972565685 /nfs/dbraw/zinc/56/56/85/972565685.db2.gz NECZPEYAFNOFQC-UHFFFAOYSA-N 2 0 410.562 3.684 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc1OC ZINC000304758635 972605660 /nfs/dbraw/zinc/60/56/60/972605660.db2.gz QFHYLJJIBXMZMZ-GOSISDBHSA-N 2 0 410.562 3.772 20 30 HHEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000304782932 972606830 /nfs/dbraw/zinc/60/68/30/972606830.db2.gz MOYVWZCTFNEUPM-KRWDZBQOSA-N 2 0 401.599 3.553 20 30 HHEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433300448 979223587 /nfs/dbraw/zinc/22/35/87/979223587.db2.gz FFZXVDOESJYAOA-UHFFFAOYSA-N 2 0 402.546 3.989 20 30 HHEDRP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1[C@H]1CCCC[C@H]1O ZINC000463193878 986166018 /nfs/dbraw/zinc/16/60/18/986166018.db2.gz PSLGKIQCOLHDJJ-JMLBKQIVSA-N 2 0 416.650 3.801 20 30 HHEDRP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC[C@H]3CCCC[NH+]3C)sc2C1 ZINC000444172399 986350176 /nfs/dbraw/zinc/35/01/76/986350176.db2.gz REQTVGGFQGLPRV-IAGOWNOFSA-N 2 0 402.608 3.879 20 30 HHEDRP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000482876782 995810046 /nfs/dbraw/zinc/81/00/46/995810046.db2.gz PNZFPWMIDZYPOP-RXVVDRJESA-N 2 0 410.537 3.957 20 30 HHEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000477043953 997679172 /nfs/dbraw/zinc/67/91/72/997679172.db2.gz ODJVVKBQMPUFMD-VWLOTQADSA-N 2 0 402.542 3.875 20 30 HHEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000485336861 997753798 /nfs/dbraw/zinc/75/37/98/997753798.db2.gz LREKFVGXYNXMDC-VWNXMTODSA-N 2 0 402.542 3.873 20 30 HHEDRP CC[N@H+](Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1)C1CC1 ZINC000479292580 999368836 /nfs/dbraw/zinc/36/88/36/999368836.db2.gz WDHDYUWEHKZAJN-UHFFFAOYSA-N 2 0 416.569 3.959 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)CC1 ZINC000499602054 1002976163 /nfs/dbraw/zinc/97/61/63/1002976163.db2.gz IRVBSWZFPKDZGG-LJQANCHMSA-N 2 0 402.558 3.719 20 30 HHEDRP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513149511 1004832409 /nfs/dbraw/zinc/83/24/09/1004832409.db2.gz LOXYEDWPERXZPF-SJPCQFCGSA-N 2 0 400.592 3.774 20 30 HHEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C(C)C ZINC000503398862 1005408050 /nfs/dbraw/zinc/40/80/50/1005408050.db2.gz KJGJNXOCMXIPHK-DHIUTWEWSA-N 2 0 404.643 3.839 20 30 HHEDRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000503702131 1005483220 /nfs/dbraw/zinc/48/32/20/1005483220.db2.gz IGMLREJWCNCPJO-FQEVSTJZSA-N 2 0 421.589 3.761 20 30 HHEDRP N#Cc1ccccc1COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000532270361 1006760213 /nfs/dbraw/zinc/76/02/13/1006760213.db2.gz KYEOVVXGPFHAQC-JWQCQUIFSA-N 2 0 405.542 3.605 20 30 HHEDRP Cc1sc(NC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000540048614 1008257885 /nfs/dbraw/zinc/25/78/85/1008257885.db2.gz XARUANCWPXCFRM-UHFFFAOYSA-N 2 0 411.575 3.809 20 30 HHEDRP COc1ccc([C@H](CNC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000549161724 1008731817 /nfs/dbraw/zinc/73/18/17/1008731817.db2.gz IFSJBNFHAIYLKB-CYFREDJKSA-N 2 0 420.557 3.561 20 30 HHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000549194565 1008767488 /nfs/dbraw/zinc/76/74/88/1008767488.db2.gz KXVNAGQCAUDWBB-TYBLODHISA-N 2 0 421.585 3.760 20 30 HHEDRP CC(=O)Nc1cccc([C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000551396561 1010560149 /nfs/dbraw/zinc/56/01/49/1010560149.db2.gz UDWRAKDKUQIPJO-ROUUACIJSA-N 2 0 406.530 3.608 20 30 HHEDRP CC[NH+]1CCN(c2ccccc2NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000540744555 1011397069 /nfs/dbraw/zinc/39/70/69/1011397069.db2.gz LFNKOUVAZXKZNL-UHFFFAOYSA-N 2 0 403.574 3.777 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000592340538 1074731844 /nfs/dbraw/zinc/73/18/44/1074731844.db2.gz RIIZSUMKQMSJES-QHCPKHFHSA-N 2 0 414.594 3.562 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000592530774 1074781884 /nfs/dbraw/zinc/78/18/84/1074781884.db2.gz YABRQSXPNKDZKN-UHFFFAOYSA-N 2 0 419.013 3.892 20 30 HHEDRP COc1ccc(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1OC ZINC000303791611 972030323 /nfs/dbraw/zinc/03/03/23/972030323.db2.gz XUKQDJRRVSLLMI-KRWDZBQOSA-N 2 0 402.564 3.965 20 30 HHEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303892701 972432771 /nfs/dbraw/zinc/43/27/71/972432771.db2.gz RKCRUVJJHYIVMW-KRWDZBQOSA-N 2 0 406.452 3.876 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000303895979 972435164 /nfs/dbraw/zinc/43/51/64/972435164.db2.gz PTUNMDGPFKLEDL-GOSISDBHSA-N 2 0 410.562 3.540 20 30 HHEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)CC1 ZINC000537661946 1013223274 /nfs/dbraw/zinc/22/32/74/1013223274.db2.gz WWFMXDRPTHYNKC-RUZDIDTESA-N 2 0 418.585 3.738 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[NH+]2CCCCCC2)cc1OC ZINC000304765814 972606356 /nfs/dbraw/zinc/60/63/56/972606356.db2.gz ZUSKYKQQCPABPF-UHFFFAOYSA-N 2 0 410.562 3.684 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000305706725 972613137 /nfs/dbraw/zinc/61/31/37/972613137.db2.gz WGDQBTIBUAOPKS-DYESRHJHSA-N 2 0 418.944 3.628 20 30 HHEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000305644315 972613619 /nfs/dbraw/zinc/61/36/19/972613619.db2.gz CBDJPBVBVNFDDL-VBKZILBWSA-N 2 0 420.916 3.916 20 30 HHEDRP [NH2+]=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)Nc1ccc2c(c1)CCC2 ZINC000305737805 972614836 /nfs/dbraw/zinc/61/48/36/972614836.db2.gz VIAZHLMGQDBGPU-UHFFFAOYSA-N 2 0 403.574 3.634 20 30 HHEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)[C@H]1OCCc2sccc21)[C@H]1OCCc2sccc21 ZINC000429136319 976423121 /nfs/dbraw/zinc/42/31/21/976423121.db2.gz WSKLEAKZACPKKQ-FHTPNYMGSA-N 2 0 416.612 3.697 20 30 HHEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433044685 979050617 /nfs/dbraw/zinc/05/06/17/979050617.db2.gz NRBKNVXRRMZDRA-UHFFFAOYSA-N 2 0 402.542 3.875 20 30 HHEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433080307 979062326 /nfs/dbraw/zinc/06/23/26/979062326.db2.gz BUVQQKOEGOOQRD-FQEVSTJZSA-N 2 0 402.542 3.873 20 30 HHEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433172764 979117742 /nfs/dbraw/zinc/11/77/42/979117742.db2.gz DKFVOJCOOMAVBQ-UHFFFAOYSA-N 2 0 402.542 3.875 20 30 HHEDRP N#CC1(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479208730 999326914 /nfs/dbraw/zinc/32/69/14/999326914.db2.gz ANLQIGNWBIDFMN-UHFFFAOYSA-N 2 0 416.569 3.961 20 30 HHEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000512176871 1004078542 /nfs/dbraw/zinc/07/85/42/1004078542.db2.gz FAFXJYYNWXGVMS-OYRHEFFESA-N 2 0 421.589 3.785 20 30 HHEDRP Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501049567 1004151713 /nfs/dbraw/zinc/15/17/13/1004151713.db2.gz BNUQMMAXYKGSAF-UHFFFAOYSA-N 2 0 419.573 3.794 20 30 HHEDRP N#Cc1ccc(NC(=O)CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000535679137 1007706383 /nfs/dbraw/zinc/70/63/83/1007706383.db2.gz FHYDYEUBSZOIHJ-UHFFFAOYSA-N 2 0 402.542 3.875 20 30 HHEDRP N#Cc1ccccc1NC(=O)CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536486437 1011698399 /nfs/dbraw/zinc/69/83/99/1011698399.db2.gz WWCSXYLZBIXEIH-UHFFFAOYSA-N 2 0 402.542 3.875 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000537108809 1012480415 /nfs/dbraw/zinc/48/04/15/1012480415.db2.gz KMEHRGJFUDQJSH-ZWKOTPCHSA-N 2 0 423.536 3.517 20 30 HHEDRP N#CC1(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000555078086 1073122329 /nfs/dbraw/zinc/12/23/29/1073122329.db2.gz FKYZCZVLWHMKLL-UHFFFAOYSA-N 2 0 402.542 3.571 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[NH+]2CCC(C)CC2)cc1OC ZINC000303772950 972019257 /nfs/dbraw/zinc/01/92/57/972019257.db2.gz DXQWMKGKMGUBST-UHFFFAOYSA-N 2 0 410.562 3.540 20 30 HHEDRP COc1ccc(NC(=[NH2+])NCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1Cl ZINC000303907135 972478065 /nfs/dbraw/zinc/47/80/65/972478065.db2.gz WNDBTUZCZMXQAU-UHFFFAOYSA-N 2 0 415.969 3.596 20 30 HHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000110914040 969740374 /nfs/dbraw/zinc/74/03/74/969740374.db2.gz BEQXYOOVKBVNKA-DEOSSOPVSA-N 2 0 402.542 3.508 20 30 HHEDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)cc2F)CC1 ZINC000237004665 970204791 /nfs/dbraw/zinc/20/47/91/970204791.db2.gz WJFSBYPDWVGSQL-UHFFFAOYSA-N 2 0 409.553 3.607 20 30 HHEDRP CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000305734594 972614546 /nfs/dbraw/zinc/61/45/46/972614546.db2.gz QMGIPQDSONBGKC-UHFFFAOYSA-N 2 0 421.589 3.933 20 30 HHEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000438056104 982557761 /nfs/dbraw/zinc/55/77/61/982557761.db2.gz ZLCFEKNUXFJLNJ-OALUTQOASA-N 2 0 417.623 3.961 20 30 HHEDRP C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000444675065 986857881 /nfs/dbraw/zinc/85/78/81/986857881.db2.gz QPBOMEQHFOUQKH-BVAGGSTKSA-N 2 0 416.613 3.844 20 30 HHEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471218492 989361713 /nfs/dbraw/zinc/36/17/13/989361713.db2.gz CDLUAELEWAEFCL-FQEVSTJZSA-N 2 0 404.558 3.579 20 30 HHEDRP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C[NH+]4CCCC4)CC3)sc2C1 ZINC000507864645 1002400516 /nfs/dbraw/zinc/40/05/16/1002400516.db2.gz YFSLSLMSOKCWFW-QGZVFWFLSA-N 2 0 414.619 3.881 20 30 HHEDRP CN(C(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C1(C#N)CCCCC1 ZINC000534964059 1007014448 /nfs/dbraw/zinc/01/44/48/1007014448.db2.gz FNKKAPSLQHBSIC-UHFFFAOYSA-N 2 0 408.590 3.659 20 30 HHEDRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000539497087 1007808857 /nfs/dbraw/zinc/80/88/57/1007808857.db2.gz YRGWIXJFCGPDNX-UHFFFAOYSA-N 2 0 406.574 3.643 20 30 HHEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)CC1 ZINC000520330755 1009463310 /nfs/dbraw/zinc/46/33/10/1009463310.db2.gz RADANUVHRGITBG-AREMUKBSSA-N 2 0 416.613 3.987 20 30 HHEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000521240468 1010246824 /nfs/dbraw/zinc/24/68/24/1010246824.db2.gz UPXQLJOHXRYPLA-UHFFFAOYSA-N 2 0 424.511 3.573 20 30 HHEDRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000551396560 1010559797 /nfs/dbraw/zinc/55/97/97/1010559797.db2.gz UDWRAKDKUQIPJO-QZTJIDSGSA-N 2 0 406.530 3.608 20 30 HHEDRP [NH2+]=C(NCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303886632 972427015 /nfs/dbraw/zinc/42/70/15/972427015.db2.gz KKLYLILQYMWLOB-UHFFFAOYSA-N 2 0 421.467 3.524 20 30 HHEDRP Cc1cccc(NC(=[NH2+])NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1 ZINC000304801357 972606541 /nfs/dbraw/zinc/60/65/41/972606541.db2.gz PBIYPJBEIUDJTQ-UHFFFAOYSA-N 2 0 405.468 3.692 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000431926717 978605548 /nfs/dbraw/zinc/60/55/48/978605548.db2.gz PSNQQUYZKYBKGJ-UHFFFAOYSA-N 2 0 410.606 3.725 20 30 HHEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000434861498 980454601 /nfs/dbraw/zinc/45/46/01/980454601.db2.gz NQYMSNSIAMDFNU-NRFANRHFSA-N 2 0 420.538 3.740 20 30 HHEDRP N#Cc1ccc(C[NH+]2CCCN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000438135415 982606274 /nfs/dbraw/zinc/60/62/74/982606274.db2.gz APNACHXTGWTBIG-DEOSSOPVSA-N 2 0 423.605 3.573 20 30 HHEDRP CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CCN(c2ccccn2)CC1 ZINC000464805165 989034976 /nfs/dbraw/zinc/03/49/76/989034976.db2.gz KIMZVNOONJRBKX-UHFFFAOYSA-N 2 0 411.937 3.784 20 30 HHEDRP C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846493 989096137 /nfs/dbraw/zinc/09/61/37/989096137.db2.gz JVFIIOWGGOBSRK-LJQANCHMSA-N 2 0 410.949 3.994 20 30 HHEDRP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000482876783 995809958 /nfs/dbraw/zinc/80/99/58/995809958.db2.gz PNZFPWMIDZYPOP-WIYYLYMNSA-N 2 0 410.537 3.957 20 30 HHEDRP CC(C)(C#N)c1ccccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000487951697 999326627 /nfs/dbraw/zinc/32/66/27/999326627.db2.gz RSPCNVBFQBBNHA-UHFFFAOYSA-N 2 0 410.606 3.692 20 30 HHEDRP Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C#N ZINC000512540966 1004371107 /nfs/dbraw/zinc/37/11/07/1004371107.db2.gz BKTTVTGDDFWOCA-YOFSQIOKSA-N 2 0 423.561 3.504 20 30 HHEDRP N#Cc1ccccc1COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000532270360 1006760641 /nfs/dbraw/zinc/76/06/41/1006760641.db2.gz KYEOVVXGPFHAQC-DQEYMECFSA-N 2 0 405.542 3.605 20 30 HHEDRP C[NH+]1CCN(C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)c2ccccc2)CC1 ZINC000535071870 1007091980 /nfs/dbraw/zinc/09/19/80/1007091980.db2.gz CTLZWRFEXSOHGH-GXUWAKPLSA-N 2 0 402.586 3.969 20 30 HHEDRP COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000551812909 1011970539 /nfs/dbraw/zinc/97/05/39/1011970539.db2.gz GVJDFZQHUNCAGG-CYFREDJKSA-N 2 0 405.542 3.533 20 30 HHEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000554863709 1072922245 /nfs/dbraw/zinc/92/22/45/1072922245.db2.gz VVNXIMGNNTUGTC-GBXCKJPGSA-N 2 0 407.558 3.657 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000592340536 1074731930 /nfs/dbraw/zinc/73/19/30/1074731930.db2.gz RIIZSUMKQMSJES-HSZRJFAPSA-N 2 0 414.594 3.562 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000303386748 971676497 /nfs/dbraw/zinc/67/64/97/971676497.db2.gz YMEOENCATMHUMM-HXUWFJFHSA-N 2 0 404.624 3.861 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000304012991 972574751 /nfs/dbraw/zinc/57/47/51/972574751.db2.gz VPYCGNIRTQPBKW-UHFFFAOYSA-N 2 0 414.981 3.708 20 30 HHEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000304782935 972607060 /nfs/dbraw/zinc/60/70/60/972607060.db2.gz MOYVWZCTFNEUPM-QGZVFWFLSA-N 2 0 401.599 3.553 20 30 HHEDRP [NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)Nc1cccc(Oc2ccccc2)c1 ZINC000305822572 972614814 /nfs/dbraw/zinc/61/48/14/972614814.db2.gz POJQIWVQIQWLBY-JOCHJYFZSA-N 2 0 416.525 3.972 20 30 HHEDRP C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000437072897 981745227 /nfs/dbraw/zinc/74/52/27/981745227.db2.gz MISVFUHSPSUSHO-XTWGIRIWSA-N 2 0 408.546 3.934 20 30 HHEDRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)Nc1cccc(C#N)c1 ZINC000439597245 983465489 /nfs/dbraw/zinc/46/54/89/983465489.db2.gz NNNAZZVMPNAIGV-SFHVURJKSA-N 2 0 402.498 3.900 20 30 HHEDRP CN(CC[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000444668278 986852074 /nfs/dbraw/zinc/85/20/74/986852074.db2.gz ZLHVQCVCJSTPEU-UHFFFAOYSA-N 2 0 404.602 3.844 20 30 HHEDRP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844143 989093136 /nfs/dbraw/zinc/09/31/36/989093136.db2.gz DWLFIGPECJMESF-LJQANCHMSA-N 2 0 422.598 3.891 20 30 HHEDRP C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482871131 995806037 /nfs/dbraw/zinc/80/60/37/995806037.db2.gz HLPYGFLHKAFVGW-RXVVDRJESA-N 2 0 410.537 3.957 20 30 HHEDRP C=C(C)[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccc(F)c(F)c1 ZINC000483316542 996094727 /nfs/dbraw/zinc/09/47/27/996094727.db2.gz UVRCWLHQKCJVRZ-NQIIRXRSSA-N 2 0 408.537 3.640 20 30 HHEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000475993834 996523809 /nfs/dbraw/zinc/52/38/09/996523809.db2.gz CFRMYPAKPCSPIB-UHFFFAOYSA-N 2 0 423.605 3.573 20 30 HHEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000485332052 997747588 /nfs/dbraw/zinc/74/75/88/997747588.db2.gz PXHNKMBJQWLLAA-UPVQGACJSA-N 2 0 402.542 3.873 20 30 HHEDRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000508897141 1003327216 /nfs/dbraw/zinc/32/72/16/1003327216.db2.gz IUIRZECQIUROMN-GBXCKJPGSA-N 2 0 421.589 3.631 20 30 HHEDRP COc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCCCC#N ZINC000512181244 1004083673 /nfs/dbraw/zinc/08/36/73/1004083673.db2.gz PLBZWSKGEGSKJG-BGYRXZFFSA-N 2 0 415.578 3.699 20 30 HHEDRP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501044010 1004145696 /nfs/dbraw/zinc/14/56/96/1004145696.db2.gz FRAWPLOTSPSTSL-UHFFFAOYSA-N 2 0 419.573 3.794 20 30 HHEDRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000513690966 1005083809 /nfs/dbraw/zinc/08/38/09/1005083809.db2.gz OVBMJUOYQFFZRL-NHCUHLMSSA-N 2 0 418.585 3.926 20 30 HHEDRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000513741564 1005104999 /nfs/dbraw/zinc/10/49/99/1005104999.db2.gz PFALIULQTIYZEG-UHFFFAOYSA-N 2 0 404.558 3.744 20 30 HHEDRP N#Cc1cccc(COc2cccc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2)c1 ZINC000531759030 1006402556 /nfs/dbraw/zinc/40/25/56/1006402556.db2.gz CQIPRXXEQICHFD-DQEYMECFSA-N 2 0 405.542 3.605 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000517324325 1007565921 /nfs/dbraw/zinc/56/59/21/1007565921.db2.gz PFWGPVGLNARNLJ-UHFFFAOYSA-N 2 0 420.001 3.644 20 30 HHEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000548945766 1008531106 /nfs/dbraw/zinc/53/11/06/1008531106.db2.gz DWJPJKWBOLAYEV-HYBUGGRVSA-N 2 0 407.558 3.514 20 30 HHEDRP C=CC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000521030233 1010063776 /nfs/dbraw/zinc/06/37/76/1010063776.db2.gz UFUBOMYXJKPMHJ-UHFFFAOYSA-N 2 0 412.622 3.671 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000537108807 1012480814 /nfs/dbraw/zinc/48/08/14/1012480814.db2.gz KMEHRGJFUDQJSH-QZTJIDSGSA-N 2 0 423.536 3.517 20 30 HHEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)cc1 ZINC000303881371 972421616 /nfs/dbraw/zinc/42/16/16/972421616.db2.gz HRCORIACESZHBA-UHFFFAOYSA-N 2 0 404.942 3.996 20 30 HHEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000304798888 972606490 /nfs/dbraw/zinc/60/64/90/972606490.db2.gz XSNCUHRCGOFKOV-UHFFFAOYSA-N 2 0 413.610 3.567 20 30 HHEDRP N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)C2=O)cc1 ZINC000433175921 979119912 /nfs/dbraw/zinc/11/99/12/979119912.db2.gz NJFAKAZHAAORJX-DEOSSOPVSA-N 2 0 414.553 3.652 20 30 HHEDRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000477341277 998030391 /nfs/dbraw/zinc/03/03/91/998030391.db2.gz XHVOUFYLYOGMKZ-HXUWFJFHSA-N 2 0 413.610 3.532 20 30 HHEDRP Cn1cc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479921359 999649738 /nfs/dbraw/zinc/64/97/38/999649738.db2.gz ISSKNLFIDQNIRT-UHFFFAOYSA-N 2 0 403.530 3.579 20 30 HHEDRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000512249010 1004152569 /nfs/dbraw/zinc/15/25/69/1004152569.db2.gz KSQPSUWCBWQQDV-IBGZPJMESA-N 2 0 402.558 3.905 20 30 HHEDRP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501065868 1004168188 /nfs/dbraw/zinc/16/81/88/1004168188.db2.gz AFNUKNWZTWJMKG-LJQANCHMSA-N 2 0 423.536 3.704 20 30 HHEDRP N#Cc1ccccc1COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000532269831 1006760327 /nfs/dbraw/zinc/76/03/27/1006760327.db2.gz FBTPXHRLTCHQNL-CLJLJLNGSA-N 2 0 419.569 3.995 20 30 HHEDRP COc1cc(C#N)ccc1OCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534968177 1007023262 /nfs/dbraw/zinc/02/32/62/1007023262.db2.gz XVYUMXGCMITGLO-UHFFFAOYSA-N 2 0 405.542 3.934 20 30 HHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)cc2)C1 ZINC000549194561 1008767764 /nfs/dbraw/zinc/76/77/64/1008767764.db2.gz KXVNAGQCAUDWBB-BKSPAHHJSA-N 2 0 421.585 3.760 20 30 HHEDRP COc1ccccc1[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](c3ccccc3OC)C2)C1 ZINC000551385200 1010553188 /nfs/dbraw/zinc/55/31/88/1010553188.db2.gz HVEAKYFUDLZNPL-FGZHOGPDSA-N 2 0 404.554 3.986 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000537108808 1012479964 /nfs/dbraw/zinc/47/99/64/1012479964.db2.gz KMEHRGJFUDQJSH-ROUUACIJSA-N 2 0 423.536 3.517 20 30 HHEDRP N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000587309911 1072568114 /nfs/dbraw/zinc/56/81/14/1072568114.db2.gz ZUAKKQHGRGTDMN-ZGXWSNOMSA-N 2 0 424.549 3.544 20 30 HHEDRP O=C(CC[NH2+]C1CC[NH+](CC2CC2)CC1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001168365672 1073400659 /nfs/dbraw/zinc/40/06/59/1073400659.db2.gz CZHHYFYCRCPJDV-UHFFFAOYSA-N 2 0 413.565 3.787 20 30 HHEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000303863169 972404788 /nfs/dbraw/zinc/40/47/88/972404788.db2.gz AAEPXWYHROSHRO-UHFFFAOYSA-N 2 0 406.596 3.572 20 30 HHEDRP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(OC)c1 ZINC000057889499 965574037 /nfs/dbraw/zinc/57/40/37/965574037.db2.gz GMXZHIJPWDJMBD-QHCPKHFHSA-N 2 0 416.606 3.751 20 30 HHEDRP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(OC)c1 ZINC000057889495 965574581 /nfs/dbraw/zinc/57/45/81/965574581.db2.gz GMXZHIJPWDJMBD-HSZRJFAPSA-N 2 0 416.606 3.751 20 30 HHEDRP CCc1c(C(O)=CONC(=[NH2+])c2cccc(C[NH+]3CCCCC3)c2)[nH]c(C)c1C(C)=O ZINC000072073188 968974145 /nfs/dbraw/zinc/97/41/45/968974145.db2.gz OTXHVHREAMWHEV-UHFFFAOYSA-N 2 0 424.545 3.594 20 30 HHEDRP C#CCOc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000237233736 970245632 /nfs/dbraw/zinc/24/56/32/970245632.db2.gz CLVXCTOBVZYDPK-UHFFFAOYSA-N 2 0 417.475 3.759 20 30 HHEDRP N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000237682400 970338906 /nfs/dbraw/zinc/33/89/06/970338906.db2.gz WSNNOWYGQYXVKD-UHFFFAOYSA-N 2 0 406.452 3.862 20 30 HHEDRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000305182989 972609995 /nfs/dbraw/zinc/60/99/95/972609995.db2.gz BVKOODBORUOODL-UHFFFAOYSA-N 2 0 410.440 3.843 20 30 HHEDRP C[C@H](NC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1Cl ZINC000305835862 972614871 /nfs/dbraw/zinc/61/48/71/972614871.db2.gz WSTYWRJMZUEKMN-KBXCAEBGSA-N 2 0 421.372 3.726 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482467165 995471082 /nfs/dbraw/zinc/47/10/82/995471082.db2.gz GZYLKDZTFYZQBZ-ISKFKSNPSA-N 2 0 410.606 3.723 20 30 HHEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000477075333 997725792 /nfs/dbraw/zinc/72/57/92/997725792.db2.gz ZVPJIUBNAYDORY-RUZDIDTESA-N 2 0 402.542 3.875 20 30 HHEDRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000512176873 1004079038 /nfs/dbraw/zinc/07/90/38/1004079038.db2.gz FAFXJYYNWXGVMS-SFTDATJTSA-N 2 0 421.589 3.785 20 30 HHEDRP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081385 1004186493 /nfs/dbraw/zinc/18/64/93/1004186493.db2.gz PMWINGSUFFESBZ-MRXNPFEDSA-N 2 0 411.937 3.782 20 30 HHEDRP N#Cc1cccc(COc2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2)c1 ZINC000531759035 1006402391 /nfs/dbraw/zinc/40/23/91/1006402391.db2.gz CQIPRXXEQICHFD-RPBOFIJWSA-N 2 0 405.542 3.605 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000539314712 1007612881 /nfs/dbraw/zinc/61/28/81/1007612881.db2.gz YXZCJZLPBKJZAK-GOSISDBHSA-N 2 0 423.536 3.519 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000519285985 1008696942 /nfs/dbraw/zinc/69/69/42/1008696942.db2.gz QNSGURIGJGCAIY-OAQYLSRUSA-N 2 0 404.986 3.817 20 30 HHEDRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000551349654 1010532374 /nfs/dbraw/zinc/53/23/74/1010532374.db2.gz HCQSDSFIPXKULY-UHFFFAOYSA-N 2 0 402.608 3.881 20 30 HHEDRP C[NH+](C)C1CCN(c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)nc2)CC1 ZINC000537487318 1012999045 /nfs/dbraw/zinc/99/90/45/1012999045.db2.gz VHBIDZKZSLXZAK-UHFFFAOYSA-N 2 0 418.589 3.560 20 30 HHEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cccc(C)c2)CC1 ZINC000555921833 1073960748 /nfs/dbraw/zinc/96/07/48/1073960748.db2.gz KOVKCUUADXWVDF-FTJBHMTQSA-N 2 0 417.597 3.977 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000303878189 972419298 /nfs/dbraw/zinc/41/92/98/972419298.db2.gz FVOCXARGQSDTNN-KDURUIRLSA-N 2 0 424.589 3.786 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1OC ZINC000303883778 972424687 /nfs/dbraw/zinc/42/46/87/972424687.db2.gz MGGGSVVJDHDRSF-OAQYLSRUSA-N 2 0 410.562 3.581 20 30 HHEDRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(OCc4ccccc4C#N)c3)CC2)CC1 ZINC000237072672 970218089 /nfs/dbraw/zinc/21/80/89/970218089.db2.gz GDGWNCTYGRMYBD-UHFFFAOYSA-N 2 0 418.585 3.785 20 30 HHEDRP C#CCOc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000237234337 970246617 /nfs/dbraw/zinc/24/66/17/970246617.db2.gz WYULSVWPQFPONR-UHFFFAOYSA-N 2 0 417.475 3.759 20 30 HHEDRP C[NH+]1CCN(c2cc(CNC(=[NH2+])Nc3cccc(Oc4ccccc4)c3)ccn2)CC1 ZINC000304511136 972602576 /nfs/dbraw/zinc/60/25/76/972602576.db2.gz WYEXPIQDQGUTIC-UHFFFAOYSA-N 2 0 416.529 3.553 20 30 HHEDRP [NH2+]=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1ccccc1OC(F)(F)F ZINC000305209760 972610330 /nfs/dbraw/zinc/61/03/30/972610330.db2.gz GVSUKMSXCZJQNJ-UHFFFAOYSA-N 2 0 402.486 3.673 20 30 HHEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000305644317 972613008 /nfs/dbraw/zinc/61/30/08/972613008.db2.gz CBDJPBVBVNFDDL-VLIAUNLRSA-N 2 0 420.916 3.916 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000305706728 972613350 /nfs/dbraw/zinc/61/33/50/972613350.db2.gz WGDQBTIBUAOPKS-LAUBAEHRSA-N 2 0 418.944 3.628 20 30 HHEDRP [NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)Nc1cccc(Oc2ccccc2)c1 ZINC000305822573 972615055 /nfs/dbraw/zinc/61/50/55/972615055.db2.gz POJQIWVQIQWLBY-QFIPXVFZSA-N 2 0 416.525 3.972 20 30 HHEDRP CN(C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1(C#N)CCCCC1 ZINC000433171683 979116634 /nfs/dbraw/zinc/11/66/34/979116634.db2.gz BZQNKGPOMNSTMK-UHFFFAOYSA-N 2 0 408.590 3.659 20 30 HHEDRP C[N@H+](CCNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1)Cc1ccccc1 ZINC000439454593 983417693 /nfs/dbraw/zinc/41/76/93/983417693.db2.gz SDWZPEZBEZLRHR-UHFFFAOYSA-N 2 0 424.976 3.672 20 30 HHEDRP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482871133 995806218 /nfs/dbraw/zinc/80/62/18/995806218.db2.gz HLPYGFLHKAFVGW-WIYYLYMNSA-N 2 0 410.537 3.957 20 30 HHEDRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000477341204 998029273 /nfs/dbraw/zinc/02/92/73/998029273.db2.gz XHVOUFYLYOGMKZ-FQEVSTJZSA-N 2 0 413.610 3.532 20 30 HHEDRP N#Cc1ccc(Br)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000492792628 1000144419 /nfs/dbraw/zinc/14/44/19/1000144419.db2.gz SSWZMHNLPWENRA-UHFFFAOYSA-N 2 0 406.368 3.645 20 30 HHEDRP CC[N@H+](CCC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1)CC1CC1 ZINC000492935322 1000149772 /nfs/dbraw/zinc/14/97/72/1000149772.db2.gz GEZKPMFBCOXKKA-DEOSSOPVSA-N 2 0 408.590 3.888 20 30 HHEDRP CCC[NH+]1CCN(c2ccccc2C[N@H+](CCOC)Cc2ccc(C#N)cc2)CC1 ZINC000508529097 1003007162 /nfs/dbraw/zinc/00/71/62/1003007162.db2.gz RKSBSPZUBTVUAB-UHFFFAOYSA-N 2 0 406.574 3.739 20 30 HHEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501079140 1004184570 /nfs/dbraw/zinc/18/45/70/1004184570.db2.gz RXFLUQYBXMEEFJ-IBGZPJMESA-N 2 0 412.603 3.895 20 30 HHEDRP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081384 1004186736 /nfs/dbraw/zinc/18/67/36/1004186736.db2.gz PMWINGSUFFESBZ-INIZCTEOSA-N 2 0 411.937 3.782 20 30 HHEDRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000510494496 1004613190 /nfs/dbraw/zinc/61/31/90/1004613190.db2.gz ZPPPRTBJUVUUFF-UHFFFAOYSA-N 2 0 404.558 3.744 20 30 HHEDRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)C[C@H]1C ZINC000538454067 1006723780 /nfs/dbraw/zinc/72/37/80/1006723780.db2.gz ITRASSADMSYPCM-BGYRXZFFSA-N 2 0 417.557 3.505 20 30 HHEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C[C@H](O)COc3ccc(C#N)cc3)cc2)C1 ZINC000521467214 1010388467 /nfs/dbraw/zinc/38/84/67/1010388467.db2.gz GGKQTMYDNBZLNC-REHUZNOOSA-N 2 0 407.558 3.566 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537108448 1012478749 /nfs/dbraw/zinc/47/87/49/1012478749.db2.gz UHBAWZVQZCBOKJ-MSOLQXFVSA-N 2 0 423.536 3.517 20 30 HHEDRP CC(C)(C)[NH+]1CCCN(c2nc(N3CCC[N@@H+](C(C)(C)C)CC3)ccc2C#N)CC1 ZINC000555871544 1073916362 /nfs/dbraw/zinc/91/63/62/1073916362.db2.gz RKOGXSWBKDSGEC-UHFFFAOYSA-N 2 0 412.626 3.574 20 30 HHEDRP COc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1Cl ZINC000303890849 972430677 /nfs/dbraw/zinc/43/06/77/972430677.db2.gz MTMKLKAFEVQDPX-HOTGVXAUSA-N 2 0 416.953 3.885 20 30 HHEDRP CCC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccc(C#N)cc1 ZINC000051855292 964723532 /nfs/dbraw/zinc/72/35/32/964723532.db2.gz VFDIWZWBBCJRAJ-UHFFFAOYSA-N 2 0 418.585 3.860 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000538212402 1013765400 /nfs/dbraw/zinc/76/54/00/1013765400.db2.gz IJFKWWLDXYTDDR-GOSISDBHSA-N 2 0 423.536 3.519 20 30 HHEDRP CC[NH+](CC)CC(=O)Nc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000554389917 1013930311 /nfs/dbraw/zinc/93/03/11/1013930311.db2.gz VDZCBAOFRKPMKX-UHFFFAOYSA-N 2 0 419.573 3.915 20 30 HHEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000438056108 982557545 /nfs/dbraw/zinc/55/75/45/982557545.db2.gz ZLCFEKNUXFJLNJ-RTBURBONSA-N 2 0 417.623 3.961 20 30 HHEDRP C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000444675066 986858054 /nfs/dbraw/zinc/85/80/54/986858054.db2.gz QPBOMEQHFOUQKH-JYFHCDHNSA-N 2 0 416.613 3.844 20 30 HHEDRP C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000444688533 986866785 /nfs/dbraw/zinc/86/67/85/986866785.db2.gz ZOIGLELKYYFIGP-QHCPKHFHSA-N 2 0 416.613 3.987 20 30 HHEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000471224180 989367099 /nfs/dbraw/zinc/36/70/99/989367099.db2.gz YALZOUVUMUQYJD-APWZRJJASA-N 2 0 402.608 3.879 20 30 HHEDRP C=CCOc1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C(C)(C)C)cc1 ZINC000474154001 995136796 /nfs/dbraw/zinc/13/67/96/995136796.db2.gz PAMLPAWACKDKIH-UHFFFAOYSA-N 2 0 401.595 3.841 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000482467167 995470827 /nfs/dbraw/zinc/47/08/27/995470827.db2.gz GZYLKDZTFYZQBZ-LADGPHEKSA-N 2 0 410.606 3.723 20 30 HHEDRP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000482871129 995806164 /nfs/dbraw/zinc/80/61/64/995806164.db2.gz HLPYGFLHKAFVGW-NQIIRXRSSA-N 2 0 410.537 3.957 20 30 HHEDRP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000482876781 995809975 /nfs/dbraw/zinc/80/99/75/995809975.db2.gz PNZFPWMIDZYPOP-NQIIRXRSSA-N 2 0 410.537 3.957 20 30 HHEDRP N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000477043948 997679427 /nfs/dbraw/zinc/67/94/27/997679427.db2.gz ODJVVKBQMPUFMD-RUZDIDTESA-N 2 0 402.542 3.875 20 30 HHEDRP C=CCOc1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1Cl ZINC000511624270 1005249426 /nfs/dbraw/zinc/24/94/26/1005249426.db2.gz BTUWLAKANBGKOZ-UHFFFAOYSA-N 2 0 422.013 3.821 20 30 HHEDRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cc2)C[C@@H](C)O1 ZINC000514094151 1005262594 /nfs/dbraw/zinc/26/25/94/1005262594.db2.gz MBSLLKOUTKWFQE-NHCUHLMSSA-N 2 0 418.585 3.926 20 30 HHEDRP C=CCc1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc(OC)c1O ZINC000539825938 1008120937 /nfs/dbraw/zinc/12/09/37/1008120937.db2.gz YPDPTAIWICXHAN-UHFFFAOYSA-N 2 0 415.622 3.757 20 30 HHEDRP COc1ccc([C@H](CNC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000549161725 1008732198 /nfs/dbraw/zinc/73/21/98/1008732198.db2.gz IFSJBNFHAIYLKB-DVECYGJZSA-N 2 0 420.557 3.561 20 30 HHEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000540719022 1011370416 /nfs/dbraw/zinc/37/04/16/1011370416.db2.gz PMUQXDIJCJHLAG-NHCUHLMSSA-N 2 0 422.976 3.953 20 30 HHEDRP N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000614993341 1072021502 /nfs/dbraw/zinc/02/15/02/1072021502.db2.gz HALGYOBQNQXDMA-UHFFFAOYSA-N 2 0 420.557 3.908 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)CC1 ZINC000303346219 971646424 /nfs/dbraw/zinc/64/64/24/971646424.db2.gz PYUMLPMZJDMEFF-JOCHJYFZSA-N 2 0 414.594 3.562 20 30 HHEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000303790599 972029478 /nfs/dbraw/zinc/02/94/78/972029478.db2.gz WORZZDDYBRPUPI-GOSISDBHSA-N 2 0 402.564 3.965 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000303789744 972028849 /nfs/dbraw/zinc/02/88/49/972028849.db2.gz VRLXNEMYMTUINL-IBGZPJMESA-N 2 0 424.589 3.725 20 30 HHEDRP COc1ccc(NC(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1OC ZINC000303791612 972030129 /nfs/dbraw/zinc/03/01/29/972030129.db2.gz XUKQDJRRVSLLMI-QGZVFWFLSA-N 2 0 402.564 3.965 20 30 HHEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cc1OC ZINC000303905413 972475950 /nfs/dbraw/zinc/47/59/50/972475950.db2.gz VNZRRLPJNJGBHD-UHFFFAOYSA-N 2 0 410.562 3.831 20 30 HHEDRP Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000537841985 1013403332 /nfs/dbraw/zinc/40/33/32/1013403332.db2.gz QVACUKWARJOMFM-KRWDZBQOSA-N 2 0 409.534 3.729 20 30 HHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000537841552 1013403404 /nfs/dbraw/zinc/40/34/04/1013403404.db2.gz PPGVDEXEDBATSD-UHFFFAOYSA-N 2 0 411.937 3.784 20 30 HHEDRP N#CCCn1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c(-c2ccccc2)n1 ZINC000537869304 1013442621 /nfs/dbraw/zinc/44/26/21/1013442621.db2.gz MZQPLUJZLQIHGM-UHFFFAOYSA-N 2 0 400.530 3.865 20 30 HHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000110914035 969740707 /nfs/dbraw/zinc/74/07/07/969740707.db2.gz BEQXYOOVKBVNKA-XMMPIXPASA-N 2 0 402.542 3.508 20 30 HHEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccccc1OC(F)(F)F ZINC000305199116 972609793 /nfs/dbraw/zinc/60/97/93/972609793.db2.gz FDECZUBZINUBGB-KRWDZBQOSA-N 2 0 406.452 3.876 20 30 HHEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1OC ZINC000305710290 972613443 /nfs/dbraw/zinc/61/34/43/972613443.db2.gz XIIBTPKWQXIODP-XOBRGWDASA-N 2 0 420.916 3.916 20 30 HHEDRP C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000437111209 981767157 /nfs/dbraw/zinc/76/71/57/981767157.db2.gz ZMOXFMYKJPHDOM-FBHNJWQJSA-N 2 0 408.546 3.934 20 30 HHEDRP COc1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)ccc1C#N ZINC000440828042 983926440 /nfs/dbraw/zinc/92/64/40/983926440.db2.gz SHAZAKIEQTVKKA-UHFFFAOYSA-N 2 0 418.463 3.627 20 30 HHEDRP N#Cc1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000462784789 985719923 /nfs/dbraw/zinc/71/99/23/985719923.db2.gz JYSDEYHJTWSKFI-JYRKZWEQSA-N 2 0 424.549 3.544 20 30 HHEDRP C[NH+](C)[C@H](CNc1ccc(C#N)c(NC[C@H](c2ccco2)[NH+](C)C)n1)c1ccco1 ZINC000472040798 990210900 /nfs/dbraw/zinc/21/09/00/990210900.db2.gz AETYTWVUMVEWMR-QZTJIDSGSA-N 2 0 408.506 3.569 20 30 HHEDRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000472138120 993191623 /nfs/dbraw/zinc/19/16/23/993191623.db2.gz JMFOXUFNRZNPHH-UHFFFAOYSA-N 2 0 406.574 3.643 20 30 HHEDRP N#CC(CC[NH+]1CCC(C[NH+]2CCOCC2)CC1)(c1ccccc1)c1ccccc1 ZINC000472755763 993692291 /nfs/dbraw/zinc/69/22/91/993692291.db2.gz SUHPUOTZPDOAFZ-UHFFFAOYSA-N 2 0 403.570 3.931 20 30 HHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000481934589 994806924 /nfs/dbraw/zinc/80/69/24/994806924.db2.gz VAWVLXQNJKXGBH-UKILVPOCSA-N 2 0 416.569 3.813 20 30 HHEDRP N#Cc1cccc(COc2cccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c2)c1 ZINC000506885624 1001579894 /nfs/dbraw/zinc/57/98/94/1001579894.db2.gz QXCMYHWSLSCHKH-UHFFFAOYSA-N 2 0 405.542 3.681 20 30 HHEDRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)C[C@@H](C)O1 ZINC000512176851 1004078918 /nfs/dbraw/zinc/07/89/18/1004078918.db2.gz FAFXJYYNWXGVMS-NHCUHLMSSA-N 2 0 421.589 3.785 20 30 HHEDRP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081994 1004186618 /nfs/dbraw/zinc/18/66/18/1004186618.db2.gz QHGHJIQCCDOXBX-FQEVSTJZSA-N 2 0 405.546 3.565 20 30 HHEDRP CC(C)(C#N)c1ccccc1CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512455678 1004316190 /nfs/dbraw/zinc/31/61/90/1004316190.db2.gz ICGDBJIHNJWZCM-XMMPIXPASA-N 2 0 402.586 3.880 20 30 HHEDRP Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)ccc1Cl ZINC000501771616 1004711320 /nfs/dbraw/zinc/71/13/20/1004711320.db2.gz CXLQPKMJHKFNAQ-UHFFFAOYSA-N 2 0 404.986 3.949 20 30 HHEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cc2)C[C@H](C)O1 ZINC000514094157 1005262358 /nfs/dbraw/zinc/26/23/58/1005262358.db2.gz MBSLLKOUTKWFQE-OYRHEFFESA-N 2 0 418.585 3.926 20 30 HHEDRP N#Cc1cccc(COc2cccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)c2)c1 ZINC000531759849 1006404648 /nfs/dbraw/zinc/40/46/48/1006404648.db2.gz UUEGPSJOOYXHNA-UIOOFZCWSA-N 2 0 419.569 3.995 20 30 HHEDRP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860020 1009037807 /nfs/dbraw/zinc/03/78/07/1009037807.db2.gz RKYOYPGJTNKWKP-DNQXCXABSA-N 2 0 411.553 3.913 20 30 HHEDRP N#Cc1ccc(N2CCC([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000550840895 1010211633 /nfs/dbraw/zinc/21/16/33/1010211633.db2.gz WQKUIICCQRCBNR-UHFFFAOYSA-N 2 0 404.558 3.791 20 30 HHEDRP COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000551812920 1011970409 /nfs/dbraw/zinc/97/04/09/1011970409.db2.gz GVJDFZQHUNCAGG-NTKDMRAZSA-N 2 0 405.542 3.533 20 30 HHEDRP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000551812922 1011970586 /nfs/dbraw/zinc/97/05/86/1011970586.db2.gz GVJDFZQHUNCAGG-YADARESESA-N 2 0 405.542 3.533 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000537108449 1012479145 /nfs/dbraw/zinc/47/91/45/1012479145.db2.gz UHBAWZVQZCBOKJ-QZTJIDSGSA-N 2 0 423.536 3.517 20 30 HHEDRP C=CCSc1nc2ccccc2n1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000760285718 1072155530 /nfs/dbraw/zinc/15/55/30/1072155530.db2.gz NRXGGWMQACXHAU-UHFFFAOYSA-N 2 0 413.635 3.762 20 30 HHEDRP C[NH+](C)C1CCC([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)CC1 ZINC001168304314 1072471980 /nfs/dbraw/zinc/47/19/80/1072471980.db2.gz VSIRHJYCUCEVIZ-UHFFFAOYSA-N 2 0 401.554 3.786 20 30 HHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000554863711 1072922319 /nfs/dbraw/zinc/92/23/19/1072922319.db2.gz VVNXIMGNNTUGTC-HYBUGGRVSA-N 2 0 407.558 3.657 20 30 HHEDRP N#Cc1cc(NC2CC[NH+](C3CC3)CC2)cc(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000301332054 970871454 /nfs/dbraw/zinc/87/14/54/970871454.db2.gz DZSRBPHDWBVJHH-UHFFFAOYSA-N 2 0 424.549 3.544 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)CC1 ZINC000303346221 971646384 /nfs/dbraw/zinc/64/63/84/971646384.db2.gz PYUMLPMZJDMEFF-QFIPXVFZSA-N 2 0 414.594 3.562 20 30 HHEDRP C=C(C)COc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)ccc1OC ZINC000237437649 970288764 /nfs/dbraw/zinc/28/87/64/970288764.db2.gz HTVWFYVYMMLUTL-UHFFFAOYSA-N 2 0 410.558 3.897 20 30 HHEDRP C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237501462 970302649 /nfs/dbraw/zinc/30/26/49/970302649.db2.gz DRRRBJUANWJNNM-LJQANCHMSA-N 2 0 409.553 3.778 20 30 HHEDRP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000304488840 972601524 /nfs/dbraw/zinc/60/15/24/972601524.db2.gz MTPVPOIRMOEJDQ-MRXNPFEDSA-N 2 0 412.481 3.888 20 30 HHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)[C@H]1c1cccs1 ZINC000304793217 972606945 /nfs/dbraw/zinc/60/69/45/972606945.db2.gz LLWQPMMLELDHBE-QRWLVFNGSA-N 2 0 400.548 3.719 20 30 HHEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000305644319 972613292 /nfs/dbraw/zinc/61/32/92/972613292.db2.gz CBDJPBVBVNFDDL-XOBRGWDASA-N 2 0 420.916 3.916 20 30 HHEDRP C=CC[NH+]1CCC(Nc2cc(C#N)c([N+](=O)[O-])c(NC3CC[NH+](CC=C)CC3)c2)CC1 ZINC000462827349 985750072 /nfs/dbraw/zinc/75/00/72/985750072.db2.gz WOWGAIRGIIVTNY-UHFFFAOYSA-N 2 0 424.549 3.591 20 30 HHEDRP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463193876 986166065 /nfs/dbraw/zinc/16/60/65/986166065.db2.gz PSLGKIQCOLHDJJ-FVXAFIASSA-N 2 0 416.650 3.801 20 30 HHEDRP C[NH+](C)[C@H](CNc1ccc(C#N)c(NC[C@@H](c2ccco2)[NH+](C)C)n1)c1ccco1 ZINC000472040797 990211299 /nfs/dbraw/zinc/21/12/99/990211299.db2.gz AETYTWVUMVEWMR-MSOLQXFVSA-N 2 0 408.506 3.569 20 30 HHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000481934583 994806874 /nfs/dbraw/zinc/80/68/74/994806874.db2.gz VAWVLXQNJKXGBH-ILBGXUMGSA-N 2 0 416.569 3.813 20 30 HHEDRP CC[NH+]1CCN(c2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)CC1 ZINC000475091941 995916459 /nfs/dbraw/zinc/91/64/59/995916459.db2.gz KNUJEGVJXKQUCF-UHFFFAOYSA-N 2 0 403.574 3.777 20 30 HHEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000485332047 997746457 /nfs/dbraw/zinc/74/64/57/997746457.db2.gz PXHNKMBJQWLLAA-ISKFKSNPSA-N 2 0 402.542 3.873 20 30 HHEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000490561745 999977379 /nfs/dbraw/zinc/97/73/79/999977379.db2.gz DTTKVPVDEPHYTH-BGYRXZFFSA-N 2 0 421.589 3.670 20 30 HHEDRP CC[N@H+](CCC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1)CC1CC1 ZINC000492935323 1000149842 /nfs/dbraw/zinc/14/98/42/1000149842.db2.gz GEZKPMFBCOXKKA-XMMPIXPASA-N 2 0 408.590 3.888 20 30 HHEDRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cn2)CC1 ZINC000507648625 1002248701 /nfs/dbraw/zinc/24/87/01/1002248701.db2.gz HERHWLUCDBOLOO-UHFFFAOYSA-N 2 0 403.574 3.717 20 30 HHEDRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)C[C@@H]1C ZINC000538454068 1006723348 /nfs/dbraw/zinc/72/33/48/1006723348.db2.gz ITRASSADMSYPCM-PMACEKPBSA-N 2 0 417.557 3.505 20 30 HHEDRP N#Cc1cccc(NC(=O)CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534965795 1007017604 /nfs/dbraw/zinc/01/76/04/1007017604.db2.gz KZWCPPQVUATPPQ-UHFFFAOYSA-N 2 0 402.542 3.875 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000517983954 1008086583 /nfs/dbraw/zinc/08/65/83/1008086583.db2.gz FMNBKXFBJWTRIX-NRFANRHFSA-N 2 0 409.496 3.598 20 30 HHEDRP N#Cc1ccc(C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)c(C(F)(F)F)c1 ZINC000519719338 1008974285 /nfs/dbraw/zinc/97/42/85/1008974285.db2.gz CQPHLFZJEIMYAW-UHFFFAOYSA-N 2 0 419.447 3.578 20 30 HHEDRP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000519860009 1009037318 /nfs/dbraw/zinc/03/73/18/1009037318.db2.gz RKYOYPGJTNKWKP-BJKOFHAPSA-N 2 0 411.553 3.913 20 30 HHEDRP C=CC[NH+]1CCC(Nc2cc(NC3CC[NH+](CC=C)CC3)c([N+](=O)[O-])cc2C#N)CC1 ZINC000550388493 1009899357 /nfs/dbraw/zinc/89/93/57/1009899357.db2.gz UGROOCCOQNXBHG-UHFFFAOYSA-N 2 0 424.549 3.591 20 30 HHEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)CC1 ZINC000536709472 1011881116 /nfs/dbraw/zinc/88/11/16/1011881116.db2.gz GZMZYLORICCEOP-RUZDIDTESA-N 2 0 418.585 3.738 20 30 HHEDRP [NH2+]=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303892703 972432470 /nfs/dbraw/zinc/43/24/70/972432470.db2.gz RKCRUVJJHYIVMW-QGZVFWFLSA-N 2 0 406.452 3.876 20 30 HHEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)CC1 ZINC000537661949 1013222646 /nfs/dbraw/zinc/22/26/46/1013222646.db2.gz WWFMXDRPTHYNKC-VWLOTQADSA-N 2 0 418.585 3.738 20 30 HHEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047287120 968122616 /nfs/dbraw/zinc/12/26/16/968122616.db2.gz XEFINPBTBZGIFB-UHFFFAOYSA-N 2 0 404.558 3.748 20 30 HHEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)[C@@H]1c1cccs1 ZINC000304793215 972607303 /nfs/dbraw/zinc/60/73/03/972607303.db2.gz LLWQPMMLELDHBE-MGPUTAFESA-N 2 0 400.548 3.719 20 30 HHEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21)[C@@H]1OCCc2sccc21 ZINC000429136321 976423111 /nfs/dbraw/zinc/42/31/11/976423111.db2.gz WSKLEAKZACPKKQ-KFVVBQDRSA-N 2 0 416.612 3.697 20 30 HHEDRP C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000437111210 981767164 /nfs/dbraw/zinc/76/71/64/981767164.db2.gz ZMOXFMYKJPHDOM-RHKCVOJBSA-N 2 0 408.546 3.934 20 30 HHEDRP C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000444675069 986857300 /nfs/dbraw/zinc/85/73/00/986857300.db2.gz QPBOMEQHFOUQKH-ZEQKJWHPSA-N 2 0 416.613 3.844 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000470071189 987969064 /nfs/dbraw/zinc/96/90/64/987969064.db2.gz IUKMNHRHGSIEGE-IBGZPJMESA-N 2 0 412.500 3.648 20 30 HHEDRP Cn1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000478177882 998805093 /nfs/dbraw/zinc/80/50/93/998805093.db2.gz MYCSORRUZGGJHO-UHFFFAOYSA-N 2 0 415.541 3.723 20 30 HHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCC2(C#N)CCOCC2)CC1 ZINC000499602053 1002976127 /nfs/dbraw/zinc/97/61/27/1002976127.db2.gz IRVBSWZFPKDZGG-IBGZPJMESA-N 2 0 402.558 3.719 20 30 HHEDRP COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000508571167 1003036045 /nfs/dbraw/zinc/03/60/45/1003036045.db2.gz SWGYPYAIXZRSDI-UHFFFAOYSA-N 2 0 406.574 3.737 20 30 HHEDRP CC(C)(C#N)c1ccccc1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512455677 1004316359 /nfs/dbraw/zinc/31/63/59/1004316359.db2.gz ICGDBJIHNJWZCM-DEOSSOPVSA-N 2 0 402.586 3.880 20 30 HHEDRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000533408762 1007716912 /nfs/dbraw/zinc/71/69/12/1007716912.db2.gz KMGSQYYUJGBOJI-UHFFFAOYSA-N 2 0 402.608 3.879 20 30 HHEDRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000533607867 1007907879 /nfs/dbraw/zinc/90/78/79/1007907879.db2.gz JLKPIZIHPBPZAU-UHFFFAOYSA-N 2 0 413.525 3.896 20 30 HHEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000523122977 1011588527 /nfs/dbraw/zinc/58/85/27/1011588527.db2.gz HJXXLQUUIMSGIV-XMMPIXPASA-N 2 0 419.573 3.790 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000536483649 1011695791 /nfs/dbraw/zinc/69/57/91/1011695791.db2.gz WXYXBURUUBXKHD-UHFFFAOYSA-N 2 0 410.606 3.725 20 30 HHEDRP C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000552046614 1012066129 /nfs/dbraw/zinc/06/61/29/1012066129.db2.gz MNEBKTOSDJWIKB-IBGZPJMESA-N 2 0 421.564 3.769 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000552585112 1012590767 /nfs/dbraw/zinc/59/07/67/1012590767.db2.gz GYPGMWBSOMSKKY-OAQYLSRUSA-N 2 0 404.986 3.817 20 30 HHEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000554970680 1073026100 /nfs/dbraw/zinc/02/61/00/1073026100.db2.gz BNDCGSWKIQFIRU-HXUWFJFHSA-N 2 0 403.448 3.824 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000303777065 972021186 /nfs/dbraw/zinc/02/11/86/972021186.db2.gz INEFZUCMHJTWJL-UHFFFAOYSA-N 2 0 410.562 3.540 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000303789745 972029088 /nfs/dbraw/zinc/02/90/88/972029088.db2.gz VRLXNEMYMTUINL-LJQANCHMSA-N 2 0 424.589 3.725 20 30 HHEDRP COc1ccc(CNC(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1OC ZINC000303793129 972031831 /nfs/dbraw/zinc/03/18/31/972031831.db2.gz ZDOHCURCZKZVDK-SFHVURJKSA-N 2 0 416.591 3.643 20 30 HHEDRP N#CCCN(C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000433078900 979061536 /nfs/dbraw/zinc/06/15/36/979061536.db2.gz XBICUEJVRIFRHE-UHFFFAOYSA-N 2 0 416.569 3.921 20 30 HHEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)NC1(C#N)CCCCC1 ZINC000439598796 983465915 /nfs/dbraw/zinc/46/59/15/983465915.db2.gz SXXLGHHVNHRXAG-LJQANCHMSA-N 2 0 408.546 3.732 20 30 HHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)C1 ZINC000471224183 989366890 /nfs/dbraw/zinc/36/68/90/989366890.db2.gz YALZOUVUMUQYJD-VQIMIIECSA-N 2 0 402.608 3.879 20 30 HHEDRP C=C(C)[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccc(F)c(F)c1 ZINC000483316543 996094530 /nfs/dbraw/zinc/09/45/30/996094530.db2.gz UVRCWLHQKCJVRZ-RXVVDRJESA-N 2 0 408.537 3.640 20 30 HHEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000485336859 997753714 /nfs/dbraw/zinc/75/37/14/997753714.db2.gz LREKFVGXYNXMDC-LADGPHEKSA-N 2 0 402.542 3.873 20 30 HHEDRP N#CC1(c2ccccc2)CCC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000507633369 1002235231 /nfs/dbraw/zinc/23/52/31/1002235231.db2.gz DENZDWMCJRFMKH-UHFFFAOYSA-N 2 0 403.574 3.587 20 30 HHEDRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000508897143 1003327901 /nfs/dbraw/zinc/32/79/01/1003327901.db2.gz IUIRZECQIUROMN-RDPSFJRHSA-N 2 0 421.589 3.631 20 30 HHEDRP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023275 1004127056 /nfs/dbraw/zinc/12/70/56/1004127056.db2.gz KEPSUGMTRPSEFD-MRXNPFEDSA-N 2 0 423.586 3.679 20 30 HHEDRP C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053872 1004156296 /nfs/dbraw/zinc/15/62/96/1004156296.db2.gz SJLHQXXSAXZVRB-UHFFFAOYSA-N 2 0 415.541 3.981 20 30 HHEDRP N#Cc1ccc(N2CCC([NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000513712975 1005092813 /nfs/dbraw/zinc/09/28/13/1005092813.db2.gz IJCXXDHVDNKXOO-UHFFFAOYSA-N 2 0 417.601 3.719 20 30 HHEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000518333277 1008265488 /nfs/dbraw/zinc/26/54/88/1008265488.db2.gz PYSXMXDRBATBQO-OAQYLSRUSA-N 2 0 404.986 3.644 20 30 HHEDRP C(#CC[NH2+]C1(c2ccccc2)CCOCC1)C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000551700133 1010747417 /nfs/dbraw/zinc/74/74/17/1010747417.db2.gz XXCZKIREPYFHJK-UHFFFAOYSA-N 2 0 404.554 3.581 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000552585111 1012590571 /nfs/dbraw/zinc/59/05/71/1012590571.db2.gz GYPGMWBSOMSKKY-NRFANRHFSA-N 2 0 404.986 3.817 20 30 HHEDRP C=CC[NH+]1CCC(Nc2nc3ccccc3c(NC3CC[NH+](CC=C)CC3)n2)CC1 ZINC000301395845 970906874 /nfs/dbraw/zinc/90/68/74/970906874.db2.gz MAJVNKKNTDBGOJ-UHFFFAOYSA-N 2 0 406.578 3.754 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[NH+]2CCC(C)CC2)cc1OC ZINC000303789695 972028867 /nfs/dbraw/zinc/02/88/67/972028867.db2.gz VOASDMQFQQLEKI-UHFFFAOYSA-N 2 0 424.589 3.583 20 30 HHEDRP CCCOc1ccccc1Oc1ncccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303872129 972413976 /nfs/dbraw/zinc/41/39/76/972413976.db2.gz BTTSODSGZKIHJL-LJQANCHMSA-N 2 0 411.550 3.551 20 30 HHEDRP CC(C)Oc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000303901529 972470808 /nfs/dbraw/zinc/47/08/08/972470808.db2.gz STMLVPMLQPEDDD-HSZRJFAPSA-N 2 0 409.578 3.579 20 30 HHEDRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)cc2)C[C@@H](C)O1 ZINC000237420040 970282668 /nfs/dbraw/zinc/28/26/68/970282668.db2.gz UAKZWOZORRBXCT-NHCUHLMSSA-N 2 0 406.574 3.935 20 30 HHEDRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000305706731 972613260 /nfs/dbraw/zinc/61/32/60/972613260.db2.gz WGDQBTIBUAOPKS-UWJYYQICSA-N 2 0 418.944 3.628 20 30 HHEDRP Cc1cc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)ccc1C#N ZINC000443981009 986184857 /nfs/dbraw/zinc/18/48/57/986184857.db2.gz BQPXHPGJPOGIAX-UHFFFAOYSA-N 2 0 402.464 3.927 20 30 HHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000481934586 994807138 /nfs/dbraw/zinc/80/71/38/994807138.db2.gz VAWVLXQNJKXGBH-NOZRDPDXSA-N 2 0 416.569 3.813 20 30 HHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000475126726 995939288 /nfs/dbraw/zinc/93/92/88/995939288.db2.gz CRTLRSAHSVXWBF-VWLOTQADSA-N 2 0 410.606 3.725 20 30 HHEDRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cc2)CC1 ZINC000507631497 1002234626 /nfs/dbraw/zinc/23/46/26/1002234626.db2.gz ZLIYBRATKOPVIT-UHFFFAOYSA-N 2 0 402.586 3.928 20 30 HHEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507654711 1002253231 /nfs/dbraw/zinc/25/32/31/1002253231.db2.gz WMGOKHIXJZBHTJ-UHFFFAOYSA-N 2 0 410.606 3.607 20 30 HHEDRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000508897144 1003327869 /nfs/dbraw/zinc/32/78/69/1003327869.db2.gz IUIRZECQIUROMN-YKSBVNFPSA-N 2 0 421.589 3.631 20 30 HHEDRP CC[N@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1)C1CC1 ZINC000508940886 1003391071 /nfs/dbraw/zinc/39/10/71/1003391071.db2.gz GAUXAGUYVCYIEJ-UHFFFAOYSA-N 2 0 404.558 3.747 20 30 HHEDRP C=CCOc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1OC ZINC000538722165 1006997717 /nfs/dbraw/zinc/99/77/17/1006997717.db2.gz ABWRTGOWWFRMNO-UHFFFAOYSA-N 2 0 415.622 3.888 20 30 HHEDRP N#Cc1cc([N+](=O)[O-])c(NC2CC[NH+](C3CC3)CC2)cc1NC1CC[NH+](C2CC2)CC1 ZINC000516326209 1007017176 /nfs/dbraw/zinc/01/71/76/1007017176.db2.gz FSDUNVSNAVPPIU-UHFFFAOYSA-N 2 0 424.549 3.544 20 30 HHEDRP C(#CC[NH+]1CCC(Cc2cccnc2)CC1)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000516793897 1007292219 /nfs/dbraw/zinc/29/22/19/1007292219.db2.gz KHYXWDKEAMIDOS-UHFFFAOYSA-N 2 0 402.586 3.689 20 30 HHEDRP N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3C[NH+]3CCC(CO)CC3)CC2)cc1 ZINC000540972927 1011608649 /nfs/dbraw/zinc/60/86/49/1011608649.db2.gz HQTLDXDRJPVHSB-UHFFFAOYSA-N 2 0 418.585 3.839 20 30 HHEDRP C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000552046615 1012065614 /nfs/dbraw/zinc/06/56/14/1012065614.db2.gz MNEBKTOSDJWIKB-LJQANCHMSA-N 2 0 421.564 3.769 20 30 HHEDRP C[NH+]1CCC(N2CCC([NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)CC1 ZINC000051189655 964488112 /nfs/dbraw/zinc/48/81/12/964488112.db2.gz SPLVKBSJTZBJIQ-UHFFFAOYSA-N 2 0 418.585 3.785 20 30 HHEDRP CCc1ccc(NC(=[NH2+])NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000303982187 972567297 /nfs/dbraw/zinc/56/72/97/972567297.db2.gz PVMHWMLYNWEUBR-UHFFFAOYSA-N 2 0 410.562 3.665 20 30 HHEDRP CN(C)C(NCc1ccccc1)=[NH+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000304696604 972603987 /nfs/dbraw/zinc/60/39/87/972603987.db2.gz INNOJFHNTJJKIQ-UHFFFAOYSA-N 2 0 408.590 3.765 20 30 HHEDRP CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000304778860 972607230 /nfs/dbraw/zinc/60/72/30/972607230.db2.gz FDNIOTVABGEWKM-UHFFFAOYSA-N 2 0 422.617 3.987 20 30 HHEDRP C=CCC[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000429074576 976358681 /nfs/dbraw/zinc/35/86/81/976358681.db2.gz OFXKDMJNSQERNP-HSZRJFAPSA-N 2 0 407.562 3.600 20 30 HHEDRP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)C2=O)cc1 ZINC000433175925 979119866 /nfs/dbraw/zinc/11/98/66/979119866.db2.gz NJFAKAZHAAORJX-XMMPIXPASA-N 2 0 414.553 3.652 20 30 HHEDRP N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000477066083 997712069 /nfs/dbraw/zinc/71/20/69/997712069.db2.gz JUNXXHNUQDMKCP-RUZDIDTESA-N 2 0 402.542 3.875 20 30 HHEDRP N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000477075334 997725956 /nfs/dbraw/zinc/72/59/56/997725956.db2.gz ZVPJIUBNAYDORY-VWLOTQADSA-N 2 0 402.542 3.875 20 30 HHEDRP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487428770 999173774 /nfs/dbraw/zinc/17/37/74/999173774.db2.gz LLFHUJVVYWLFBQ-UHFFFAOYSA-N 2 0 406.574 3.750 20 30 HHEDRP Cn1cc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C#N ZINC000480634285 999846837 /nfs/dbraw/zinc/84/68/37/999846837.db2.gz IPHZLHBYKPGKMX-UHFFFAOYSA-N 2 0 419.495 3.608 20 30 HHEDRP N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000538395598 1006665489 /nfs/dbraw/zinc/66/54/89/1006665489.db2.gz QJVIZBVDUKPXPR-UHFFFAOYSA-N 2 0 418.585 3.787 20 30 HHEDRP N#Cc1ccc(C[NH+]2CCC(Nc3cccc(C[NH+]4CCC(CO)CC4)c3)CC2)cc1 ZINC000540749724 1011402845 /nfs/dbraw/zinc/40/28/45/1011402845.db2.gz NHIHEMDKIAXVPJ-UHFFFAOYSA-N 2 0 418.585 3.839 20 30 HHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1SCC#N ZINC000536702091 1011872283 /nfs/dbraw/zinc/87/22/83/1011872283.db2.gz CCQOQUOONODLBZ-UHFFFAOYSA-N 2 0 423.586 3.874 20 30 HHEDRP