smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3cccs3)s1)C2 ZINC000922386629 1126134677 /nfs/dbraw/zinc/13/46/77/1126134677.db2.gz HHTQXMAYAIPDQR-RRIFGTCXSA-N 1 3 377.579 3.441 20 0 GGADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(-c3cccs3)s1)C2 ZINC000922386629 1126134679 /nfs/dbraw/zinc/13/46/79/1126134679.db2.gz HHTQXMAYAIPDQR-RRIFGTCXSA-N 1 3 377.579 3.441 20 0 GGADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnc(-c3cccs3)s1)C2 ZINC001550421871 1126206418 /nfs/dbraw/zinc/20/64/18/1126206418.db2.gz HHTQXMAYAIPDQR-HIRMHNASSA-N 1 3 377.579 3.441 20 0 GGADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnc(-c3cccs3)s1)C2 ZINC001550421871 1126206421 /nfs/dbraw/zinc/20/64/21/1126206421.db2.gz HHTQXMAYAIPDQR-HIRMHNASSA-N 1 3 377.579 3.441 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc2ccccc2s1 ZINC000058223734 205170894 /nfs/dbraw/zinc/17/08/94/205170894.db2.gz ZVZDMWIYLJOOKM-QGZVFWFLSA-N 1 3 388.581 3.103 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc2ccccc2s1 ZINC000058223734 205170899 /nfs/dbraw/zinc/17/08/99/205170899.db2.gz ZVZDMWIYLJOOKM-QGZVFWFLSA-N 1 3 388.581 3.103 20 0 GGADHO CN(CCC(=O)Nc1ccc(Br)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841295 564247427 /nfs/dbraw/zinc/24/74/27/564247427.db2.gz GLGKHMXOEGUZAH-CYBMUJFWSA-N 1 3 386.309 3.190 20 0 GGADHO CN(CCC(=O)Nc1ccc(Br)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841295 564247430 /nfs/dbraw/zinc/24/74/30/564247430.db2.gz GLGKHMXOEGUZAH-CYBMUJFWSA-N 1 3 386.309 3.190 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cccc(Br)c2)cc1 ZINC000123882004 564464354 /nfs/dbraw/zinc/46/43/54/564464354.db2.gz ODROZHGCOATLMX-UHFFFAOYSA-N 1 3 390.325 3.030 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cc(Br)cs2)cc1 ZINC000123878877 564464568 /nfs/dbraw/zinc/46/45/68/564464568.db2.gz LMXNYZUCTFGHPK-UHFFFAOYSA-N 1 3 396.354 3.092 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000050802035 564560254 /nfs/dbraw/zinc/56/02/54/564560254.db2.gz UYYQHAVUZNCTRU-UHFFFAOYSA-N 1 3 384.351 3.211 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CSc3ccc(Cl)cc3)CC2)CC1 ZINC000050802241 564561288 /nfs/dbraw/zinc/56/12/88/564561288.db2.gz ZAHGFTFRUJTVGE-UHFFFAOYSA-N 1 3 381.973 3.107 20 0 GGADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1Br ZINC000128236093 564611518 /nfs/dbraw/zinc/61/15/18/564611518.db2.gz GOXNRJVYUVXSAR-HNNXBMFYSA-N 1 3 384.362 3.136 20 0 GGADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000056523119 564649847 /nfs/dbraw/zinc/64/98/47/564649847.db2.gz FHRXPIXVXSPIME-INIZCTEOSA-N 1 3 375.340 3.397 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000132343647 564741075 /nfs/dbraw/zinc/74/10/75/564741075.db2.gz NXHRFMDOHRSWRH-UHFFFAOYSA-N 1 3 380.842 3.316 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC000077752480 564863071 /nfs/dbraw/zinc/86/30/71/564863071.db2.gz HDWPCUXTLYSPIB-ZDUSSCGKSA-N 1 3 375.344 3.189 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000150967953 564899643 /nfs/dbraw/zinc/89/96/43/564899643.db2.gz KLUSPHMTXQATOZ-GOSISDBHSA-N 1 3 396.373 3.278 20 0 GGADHO CN1CCN(CCCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000102422210 564929460 /nfs/dbraw/zinc/92/94/60/564929460.db2.gz WUACARQCPQTKNR-UHFFFAOYSA-N 1 3 384.351 3.386 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000103211126 564944560 /nfs/dbraw/zinc/94/45/60/564944560.db2.gz YZMLROWGEMMNIS-UHFFFAOYSA-N 1 3 380.945 3.029 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000103212986 564944830 /nfs/dbraw/zinc/94/48/30/564944830.db2.gz UKEIIZWUKTUHGO-UHFFFAOYSA-N 1 3 386.974 3.090 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152372719 564957163 /nfs/dbraw/zinc/95/71/63/564957163.db2.gz XRCCCVLKYREBGJ-KBPBESRZSA-N 1 3 380.330 3.240 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152372719 564957165 /nfs/dbraw/zinc/95/71/65/564957165.db2.gz XRCCCVLKYREBGJ-KBPBESRZSA-N 1 3 380.330 3.240 20 0 GGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000154259981 565032047 /nfs/dbraw/zinc/03/20/47/565032047.db2.gz XVQHVZURZSEPPX-GOSISDBHSA-N 1 3 396.373 3.280 20 0 GGADHO CN1CCN(CCCC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000154373011 565035927 /nfs/dbraw/zinc/03/59/27/565035927.db2.gz UTTDMYBIBOUFSK-SFHVURJKSA-N 1 3 396.373 3.280 20 0 GGADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000154459480 565039836 /nfs/dbraw/zinc/03/98/36/565039836.db2.gz SRQJRMNGBTXPOJ-IBGZPJMESA-N 1 3 380.374 3.444 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000155591573 565069541 /nfs/dbraw/zinc/06/95/41/565069541.db2.gz MULYXGGIHPTOHC-UGSOOPFHSA-N 1 3 384.337 3.191 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1Br ZINC000157602557 565137815 /nfs/dbraw/zinc/13/78/15/565137815.db2.gz KHXLWHLSVYDBLA-HNNXBMFYSA-N 1 3 397.361 3.329 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1Br ZINC000157602557 565137823 /nfs/dbraw/zinc/13/78/23/565137823.db2.gz KHXLWHLSVYDBLA-HNNXBMFYSA-N 1 3 397.361 3.329 20 0 GGADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccccc3Br)C2)C1 ZINC000293133308 565152050 /nfs/dbraw/zinc/15/20/50/565152050.db2.gz ZXJSKOKRULEJOO-SFHVURJKSA-N 1 3 380.330 3.195 20 0 GGADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccccc3Br)C2)C1 ZINC000293133308 565152058 /nfs/dbraw/zinc/15/20/58/565152058.db2.gz ZXJSKOKRULEJOO-SFHVURJKSA-N 1 3 380.330 3.195 20 0 GGADHO C[C@H]1C[N@H+](CCCc2ccccc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000371697393 565205262 /nfs/dbraw/zinc/20/52/62/565205262.db2.gz VWOREGZSTATGFK-FXAWDEMLSA-N 1 3 394.401 3.340 20 0 GGADHO C[C@H]1C[N@@H+](CCCc2ccccc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000371697393 565205266 /nfs/dbraw/zinc/20/52/66/565205266.db2.gz VWOREGZSTATGFK-FXAWDEMLSA-N 1 3 394.401 3.340 20 0 GGADHO C[C@@H]1C[N@H+](CCCc2ccccc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000371697395 565205930 /nfs/dbraw/zinc/20/59/30/565205930.db2.gz VWOREGZSTATGFK-XLIONFOSSA-N 1 3 394.401 3.340 20 0 GGADHO C[C@@H]1C[N@@H+](CCCc2ccccc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000371697395 565205933 /nfs/dbraw/zinc/20/59/33/565205933.db2.gz VWOREGZSTATGFK-XLIONFOSSA-N 1 3 394.401 3.340 20 0 GGADHO CCN1CCN(CCC[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000372916354 565260695 /nfs/dbraw/zinc/26/06/95/565260695.db2.gz HIGOJYYKMAEQGM-UHFFFAOYSA-N 1 3 380.374 3.312 20 0 GGADHO COc1c(Br)cccc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000187168812 565315173 /nfs/dbraw/zinc/31/51/73/565315173.db2.gz ORAFDTXQOHUQLJ-GJZGRUSLSA-N 1 3 385.346 3.437 20 0 GGADHO Cc1cc(Br)cn2cc(CCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc12 ZINC000273442463 565320994 /nfs/dbraw/zinc/32/09/94/565320994.db2.gz NAHZSPBROKDHST-DOTOQJQBSA-N 1 3 377.330 3.164 20 0 GGADHO Cc1cc(Br)cn2cc(CCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)nc12 ZINC000273442463 565321000 /nfs/dbraw/zinc/32/10/00/565321000.db2.gz NAHZSPBROKDHST-DOTOQJQBSA-N 1 3 377.330 3.164 20 0 GGADHO Cc1cc(Br)cn2cc(CCNC3CC[NH+](C(C)C)CC3)nc12 ZINC000273460740 565321188 /nfs/dbraw/zinc/32/11/88/565321188.db2.gz HPSNMPZNMZJLMB-UHFFFAOYSA-N 1 3 379.346 3.410 20 0 GGADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc12 ZINC000273442465 565321269 /nfs/dbraw/zinc/32/12/69/565321269.db2.gz NAHZSPBROKDHST-NVXWUHKLSA-N 1 3 377.330 3.164 20 0 GGADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc12 ZINC000273442465 565321270 /nfs/dbraw/zinc/32/12/70/565321270.db2.gz NAHZSPBROKDHST-NVXWUHKLSA-N 1 3 377.330 3.164 20 0 GGADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000168904945 565381815 /nfs/dbraw/zinc/38/18/15/565381815.db2.gz MIPLOUDTCCKXQY-LJQANCHMSA-N 1 3 388.383 3.424 20 0 GGADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(F)c(Cl)cc1Cl ZINC000168943115 565382029 /nfs/dbraw/zinc/38/20/29/565382029.db2.gz FNGONSXUTBITAU-CQSZACIVSA-N 1 3 392.346 3.173 20 0 GGADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000277070886 565474990 /nfs/dbraw/zinc/47/49/90/565474990.db2.gz DRFCFHNVXINCCQ-AWEZNQCLSA-N 1 3 386.309 3.333 20 0 GGADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000277070886 565474996 /nfs/dbraw/zinc/47/49/96/565474996.db2.gz DRFCFHNVXINCCQ-AWEZNQCLSA-N 1 3 386.309 3.333 20 0 GGADHO Cc1ccc(Br)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000173348603 565550149 /nfs/dbraw/zinc/55/01/49/565550149.db2.gz XGXNQBWCEHVDNY-UHFFFAOYSA-N 1 3 394.357 3.046 20 0 GGADHO CN1CCCN(CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000194028708 565790799 /nfs/dbraw/zinc/79/07/99/565790799.db2.gz RTTKBKGXPSNGIP-UHFFFAOYSA-N 1 3 380.374 3.312 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3Br)CC2)CC1 ZINC000195341740 565877110 /nfs/dbraw/zinc/87/71/10/565877110.db2.gz FDPCMOMZCXNBGR-UHFFFAOYSA-N 1 3 395.345 3.129 20 0 GGADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284926933 565877355 /nfs/dbraw/zinc/87/73/55/565877355.db2.gz WACBKLLCWSIYCS-LJQANCHMSA-N 1 3 395.389 3.301 20 0 GGADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000414183009 565901522 /nfs/dbraw/zinc/90/15/22/565901522.db2.gz DOUVENARCKZHLY-OAHLLOKOSA-N 1 3 386.367 3.441 20 0 GGADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000414183006 565901695 /nfs/dbraw/zinc/90/16/95/565901695.db2.gz DOUVENARCKZHLY-HNNXBMFYSA-N 1 3 386.367 3.441 20 0 GGADHO CC[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414192571 565902869 /nfs/dbraw/zinc/90/28/69/565902869.db2.gz SLGRMIQANZERQR-WMLDXEAASA-N 1 3 387.977 3.021 20 0 GGADHO CC[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414192571 565902872 /nfs/dbraw/zinc/90/28/72/565902872.db2.gz SLGRMIQANZERQR-WMLDXEAASA-N 1 3 387.977 3.021 20 0 GGADHO C[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccsc2S1 ZINC000414191347 565903333 /nfs/dbraw/zinc/90/33/33/565903333.db2.gz LJQNGDDPMUXEDI-RDJZCZTQSA-N 1 3 381.611 3.060 20 0 GGADHO CN(CCC(=O)Nc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285402532 565905553 /nfs/dbraw/zinc/90/55/53/565905553.db2.gz FGCIEEQJMTYYGC-SJPCQFCGSA-N 1 3 380.330 3.335 20 0 GGADHO CN(CCC(=O)Nc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285402532 565905554 /nfs/dbraw/zinc/90/55/54/565905554.db2.gz FGCIEEQJMTYYGC-SJPCQFCGSA-N 1 3 380.330 3.335 20 0 GGADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Br)c1 ZINC000179018134 565953568 /nfs/dbraw/zinc/95/35/68/565953568.db2.gz LYGORBVPJONXSB-UHFFFAOYSA-N 1 3 394.357 3.046 20 0 GGADHO Cc1cc([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)ccc1Br ZINC000414755709 565958990 /nfs/dbraw/zinc/95/89/90/565958990.db2.gz PLAVOQKAVGSLDK-MAUKXSAKSA-N 1 3 394.357 3.092 20 0 GGADHO Cc1cc([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)ccc1Br ZINC000414755709 565958993 /nfs/dbraw/zinc/95/89/93/565958993.db2.gz PLAVOQKAVGSLDK-MAUKXSAKSA-N 1 3 394.357 3.092 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000414928525 565965340 /nfs/dbraw/zinc/96/53/40/565965340.db2.gz QDNLKGPAJLKOIL-NVXWUHKLSA-N 1 3 394.357 3.222 20 0 GGADHO C[C@@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCNC1 ZINC000414916193 565965481 /nfs/dbraw/zinc/96/54/81/565965481.db2.gz OYZIJGQXLBDQLJ-LJQANCHMSA-N 1 3 380.374 3.393 20 0 GGADHO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414998679 565969127 /nfs/dbraw/zinc/96/91/27/565969127.db2.gz ILKHTBGMALVOBP-QIIPPGSGSA-N 1 3 395.320 3.156 20 0 GGADHO C[C@H](Cn1cc(Br)cn1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414998679 565969133 /nfs/dbraw/zinc/96/91/33/565969133.db2.gz ILKHTBGMALVOBP-QIIPPGSGSA-N 1 3 395.320 3.156 20 0 GGADHO [NH3+][C@@H]1CCC[C@H](CNCc2ncc(Br)cc2Br)C1 ZINC000415008850 565969812 /nfs/dbraw/zinc/96/98/12/565969812.db2.gz SSJCHHLKJNHLMY-GXSJLCMTSA-N 1 3 377.124 3.214 20 0 GGADHO CCOCCOc1ccc(Br)cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014292 565971041 /nfs/dbraw/zinc/97/10/41/565971041.db2.gz WLSQSIQBZJLZGK-ZWKOTPCHSA-N 1 3 397.357 3.342 20 0 GGADHO COc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](C[NH3+])C1 ZINC000415028644 565971122 /nfs/dbraw/zinc/97/11/22/565971122.db2.gz CWBVHFCLEHTBJQ-CABZTGNLSA-N 1 3 392.135 3.437 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCCNC2CC2)CC1 ZINC000415065563 565971976 /nfs/dbraw/zinc/97/19/76/565971976.db2.gz GNGZDURZIHKTEI-UHFFFAOYSA-N 1 3 394.357 3.094 20 0 GGADHO [NH3+]CC1(O)CCN(Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000415136147 565976180 /nfs/dbraw/zinc/97/61/80/565976180.db2.gz BXLZYYQBPLQDJS-UHFFFAOYSA-N 1 3 381.339 3.463 20 0 GGADHO CN1CCC[N@H+](CCCN[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000245551268 565995775 /nfs/dbraw/zinc/99/57/75/565995775.db2.gz IMUNXTQIEVHXGE-KRWDZBQOSA-N 1 3 384.337 3.193 20 0 GGADHO CN1CCC[N@@H+](CCCN[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000245551268 565995779 /nfs/dbraw/zinc/99/57/79/565995779.db2.gz IMUNXTQIEVHXGE-KRWDZBQOSA-N 1 3 384.337 3.193 20 0 GGADHO C[N@@H+]1CCCN(CCCN[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000245551268 565995784 /nfs/dbraw/zinc/99/57/84/565995784.db2.gz IMUNXTQIEVHXGE-KRWDZBQOSA-N 1 3 384.337 3.193 20 0 GGADHO C[N@H+]1CCCN(CCCN[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000245551268 565995789 /nfs/dbraw/zinc/99/57/89/565995789.db2.gz IMUNXTQIEVHXGE-KRWDZBQOSA-N 1 3 384.337 3.193 20 0 GGADHO C[C@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(F)cc1Br ZINC000363780133 566020964 /nfs/dbraw/zinc/02/09/64/566020964.db2.gz BHTXTDUCZHWZNZ-ZFWWWQNUSA-N 1 3 384.337 3.407 20 0 GGADHO C[C@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(F)cc1Br ZINC000363780133 566020968 /nfs/dbraw/zinc/02/09/68/566020968.db2.gz BHTXTDUCZHWZNZ-ZFWWWQNUSA-N 1 3 384.337 3.407 20 0 GGADHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1Br ZINC000363780133 566020972 /nfs/dbraw/zinc/02/09/72/566020972.db2.gz BHTXTDUCZHWZNZ-ZFWWWQNUSA-N 1 3 384.337 3.407 20 0 GGADHO CN(Cc1cccc(Br)c1OC[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000261766571 566133501 /nfs/dbraw/zinc/13/35/01/566133501.db2.gz DJSAHSSAKRICSJ-KRWDZBQOSA-N 1 3 397.357 3.438 20 0 GGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccccc2Br)CC1 ZINC000181361918 566135787 /nfs/dbraw/zinc/13/57/87/566135787.db2.gz HQQJDUHRGPUFTQ-OAHLLOKOSA-N 1 3 385.346 3.041 20 0 GGADHO COc1ccc([C@@H](C)NCCCC[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000181733052 566163366 /nfs/dbraw/zinc/16/33/66/566163366.db2.gz KHBBQTFSQVANFI-HUUCEWRRSA-N 1 3 385.346 3.345 20 0 GGADHO COc1ccc([C@@H](C)NCCCC[N@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000181733052 566163372 /nfs/dbraw/zinc/16/33/72/566163372.db2.gz KHBBQTFSQVANFI-HUUCEWRRSA-N 1 3 385.346 3.345 20 0 GGADHO COc1ccc([C@H](C)NCCCC[N@@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000181733036 566163720 /nfs/dbraw/zinc/16/37/20/566163720.db2.gz KHBBQTFSQVANFI-LSDHHAIUSA-N 1 3 385.346 3.345 20 0 GGADHO COc1ccc([C@H](C)NCCCC[N@H+]2CCC[C@@H]2CO)c(Br)c1 ZINC000181733036 566163724 /nfs/dbraw/zinc/16/37/24/566163724.db2.gz KHBBQTFSQVANFI-LSDHHAIUSA-N 1 3 385.346 3.345 20 0 GGADHO Cc1nc2ccc(Br)cc2c(N2CCC([NH2+]CCO)CC2)c1C ZINC000290964415 566198357 /nfs/dbraw/zinc/19/83/57/566198357.db2.gz OVJQEIYHTHECNP-UHFFFAOYSA-N 1 3 378.314 3.165 20 0 GGADHO CC(C)([NH3+])CNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418413003 566212470 /nfs/dbraw/zinc/21/24/70/566212470.db2.gz IRULILBWXZSJOG-UHFFFAOYSA-N 1 3 387.355 3.338 20 0 GGADHO C[C@@H](CC[NH3+])NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418524455 566215297 /nfs/dbraw/zinc/21/52/97/566215297.db2.gz LISCFXUHXAEFMQ-AWEZNQCLSA-N 1 3 387.355 3.338 20 0 GGADHO [NH3+]C[C@@H](NCCC(=O)Nc1ccc(Br)cc1F)C1CCCCC1 ZINC000420377657 566274588 /nfs/dbraw/zinc/27/45/88/566274588.db2.gz WILXQSSNBFXZLZ-MRXNPFEDSA-N 1 3 386.309 3.414 20 0 GGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3cccc(Br)c3)CC2)C1 ZINC000420389982 566275852 /nfs/dbraw/zinc/27/58/52/566275852.db2.gz MWDLKRSPDONPCR-AEFFLSMTSA-N 1 3 383.330 3.046 20 0 GGADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccc(Br)cc3)CC2)C1 ZINC000420389542 566276993 /nfs/dbraw/zinc/27/69/93/566276993.db2.gz MESFWYKECGQMIH-AEFFLSMTSA-N 1 3 383.330 3.046 20 0 GGADHO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575869360 566293770 /nfs/dbraw/zinc/29/37/70/566293770.db2.gz SQKNBEIWMMFNNN-KFWWJZLASA-N 1 3 380.330 3.098 20 0 GGADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000535414634 566302622 /nfs/dbraw/zinc/30/26/22/566302622.db2.gz ZISMNDZKMJMQOC-AWEZNQCLSA-N 1 3 389.371 3.059 20 0 GGADHO CC(C)[NH+]1CCN(CCCN2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1 ZINC000669690391 566320781 /nfs/dbraw/zinc/32/07/81/566320781.db2.gz SALIWEXTVRZFEI-ZIAGYGMSSA-N 1 3 375.401 3.075 20 0 GGADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000421015028 566336205 /nfs/dbraw/zinc/33/62/05/566336205.db2.gz SUDRWBSICGQDTN-UHFFFAOYSA-N 1 3 380.374 3.441 20 0 GGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000576627696 566364468 /nfs/dbraw/zinc/36/44/68/566364468.db2.gz BHQRZSGNVMTILV-INIZCTEOSA-N 1 3 385.346 3.041 20 0 GGADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000576856853 566384982 /nfs/dbraw/zinc/38/49/82/566384982.db2.gz OFKTYZFPGDJYSV-PBHICJAKSA-N 1 3 387.337 3.202 20 0 GGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000447571059 566417918 /nfs/dbraw/zinc/41/79/18/566417918.db2.gz WWBKRSSQDAUZNW-LBTNJELSSA-N 1 3 377.330 3.453 20 0 GGADHO CN(C)CCOCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000447600817 566418109 /nfs/dbraw/zinc/41/81/09/566418109.db2.gz NTSGFPKNPGKVTA-SFHVURJKSA-N 1 3 385.346 3.085 20 0 GGADHO CCN1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000557827123 566424701 /nfs/dbraw/zinc/42/47/01/566424701.db2.gz JCQILMZKKWLSBT-RDTXWAMCSA-N 1 3 377.330 3.455 20 0 GGADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000422637622 566461792 /nfs/dbraw/zinc/46/17/92/566461792.db2.gz PCNQSYUNNQDVLS-FRRDWIJNSA-N 1 3 386.309 3.222 20 0 GGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422736280 566463256 /nfs/dbraw/zinc/46/32/56/566463256.db2.gz VUENEEZIZOESBS-AXHNFQJDSA-N 1 3 386.367 3.300 20 0 GGADHO O=C(NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422859622 566463405 /nfs/dbraw/zinc/46/34/05/566463405.db2.gz KMUJAUXHHBOEOU-RCCFBDPRSA-N 1 3 394.357 3.079 20 0 GGADHO C[C@H](CCCC[NH3+])NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422758711 566463645 /nfs/dbraw/zinc/46/36/45/566463645.db2.gz JWLIKQVRUJRYKQ-CYBMUJFWSA-N 1 3 391.375 3.109 20 0 GGADHO CCOC(=O)C1([C@@H](C)NCc2nc3cc(Cl)ccc3s2)CC[NH2+]CC1 ZINC000422903105 566465272 /nfs/dbraw/zinc/46/52/72/566465272.db2.gz ODYFEUBGKYKKFD-GFCCVEGCSA-N 1 3 381.929 3.361 20 0 GGADHO Brc1ccc(CN2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422893356 566465764 /nfs/dbraw/zinc/46/57/64/566465764.db2.gz QFJGTIOUMDCMCE-DFNIBXOVSA-N 1 3 378.358 3.286 20 0 GGADHO Brc1cccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)c1 ZINC000422944467 566466727 /nfs/dbraw/zinc/46/67/27/566466727.db2.gz MHESZHFMZNZRBC-JWTNVVGKSA-N 1 3 379.342 3.370 20 0 GGADHO CCOC(=O)C1([C@H](C)NC2(c3cccc(Br)c3)CC2)CC[NH2+]CC1 ZINC000422948324 566467313 /nfs/dbraw/zinc/46/73/13/566467313.db2.gz RSIZSPMHPPVFQX-AWEZNQCLSA-N 1 3 395.341 3.349 20 0 GGADHO Brc1ccc2[nH]cc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000423033866 566468636 /nfs/dbraw/zinc/46/86/36/566468636.db2.gz OZIBIOUKBAQFRK-ZHALLVOQSA-N 1 3 392.341 3.220 20 0 GGADHO Clc1ccc(Br)c(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423002050 566468723 /nfs/dbraw/zinc/46/87/23/566468723.db2.gz YFBGWFKZOXQIGA-USXIJHARSA-N 1 3 387.749 3.392 20 0 GGADHO COc1cc(Br)ccc1CCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423028820 566469667 /nfs/dbraw/zinc/46/96/67/566469667.db2.gz HETQXXFLLRHVMP-FGTMMUONSA-N 1 3 397.357 3.137 20 0 GGADHO COc1ccc(Br)c(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650707415 566471401 /nfs/dbraw/zinc/47/14/01/566471401.db2.gz FJRAPMKSKWXUNO-JCKWVBRZSA-N 1 3 383.330 3.176 20 0 GGADHO Clc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423043308 566471505 /nfs/dbraw/zinc/47/15/05/566471505.db2.gz OHBSZIHGIDOXTE-JECZMYCTSA-N 1 3 384.351 3.319 20 0 GGADHO Clc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423043309 566471597 /nfs/dbraw/zinc/47/15/97/566471597.db2.gz OHBSZIHGIDOXTE-KNEBKQPDSA-N 1 3 384.351 3.319 20 0 GGADHO COc1ccc(Br)c(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650707417 566472340 /nfs/dbraw/zinc/47/23/40/566472340.db2.gz FJRAPMKSKWXUNO-YEWWUXTCSA-N 1 3 383.330 3.176 20 0 GGADHO COc1ccc(Br)c(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650707414 566472355 /nfs/dbraw/zinc/47/23/55/566472355.db2.gz FJRAPMKSKWXUNO-DHSIGJKJSA-N 1 3 383.330 3.176 20 0 GGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423078961 566472509 /nfs/dbraw/zinc/47/25/09/566472509.db2.gz WXVVFOLJOHLVOZ-QSFXBCCZSA-N 1 3 391.353 3.148 20 0 GGADHO C[C@@H](CCc1ccc(I)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423101948 566475009 /nfs/dbraw/zinc/47/50/09/566475009.db2.gz WPXOYXGYBAPZNW-QIXHYMPYSA-N 1 3 384.305 3.485 20 0 GGADHO Cc1c([C@@H](C)NCCC2CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000650764186 566476274 /nfs/dbraw/zinc/47/62/74/566476274.db2.gz SBAZQPRYTZRSQP-CYBMUJFWSA-N 1 3 392.345 3.379 20 0 GGADHO Brc1cccc2[nH]cc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c21 ZINC000423130742 566476751 /nfs/dbraw/zinc/47/67/51/566476751.db2.gz YVDHMRNTNLAFDM-DJIMGWMZSA-N 1 3 392.341 3.220 20 0 GGADHO Clc1cc(Br)ccc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423142656 566478415 /nfs/dbraw/zinc/47/84/15/566478415.db2.gz AZBRTDAVAPVEQR-HYVNUMGLSA-N 1 3 387.749 3.392 20 0 GGADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1Br ZINC000423152693 566479094 /nfs/dbraw/zinc/47/90/94/566479094.db2.gz GHXMCKOMONKTER-QGZVKYPTSA-N 1 3 395.385 3.419 20 0 GGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423178836 566479900 /nfs/dbraw/zinc/47/99/00/566479900.db2.gz ISXHEOOHYABTCG-DNVCBOLYSA-N 1 3 380.374 3.391 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1cc(F)cc(Br)c1 ZINC000423169979 566480432 /nfs/dbraw/zinc/48/04/32/566480432.db2.gz KTOSFFHEKXXBPI-WQANXHIZSA-N 1 3 399.348 3.250 20 0 GGADHO Brc1cccc([C@@H](NCCCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423179641 566480566 /nfs/dbraw/zinc/48/05/66/566480566.db2.gz HTMRWFHIOWNEGH-FQEVSTJZSA-N 1 3 388.353 3.423 20 0 GGADHO Brc1cccc(CN2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423180202 566480616 /nfs/dbraw/zinc/48/06/16/566480616.db2.gz KIDWEUVLYVIMNS-DFNIBXOVSA-N 1 3 378.358 3.286 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cc(Br)ccc1F ZINC000423165710 566481162 /nfs/dbraw/zinc/48/11/62/566481162.db2.gz URIDPXQEZCOEHO-ZAUBIYILSA-N 1 3 399.348 3.250 20 0 GGADHO CCOC(=O)C1([C@H](C)NCc2cc(C)ccc2Br)CC[NH2+]CC1 ZINC000423195051 566482225 /nfs/dbraw/zinc/48/22/25/566482225.db2.gz XIEBJMOKUXBRPX-AWEZNQCLSA-N 1 3 383.330 3.169 20 0 GGADHO Brc1ccc([C@H](NCC[C@@H]2CCC[NH2+]C2)c2cncnc2)cc1 ZINC000423259328 566484691 /nfs/dbraw/zinc/48/46/91/566484691.db2.gz NXFMCOQDPNAMCP-KSSFIOAISA-N 1 3 375.314 3.308 20 0 GGADHO Cc1c([C@H](C)NCC2(C)CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000423334174 566485757 /nfs/dbraw/zinc/48/57/57/566485757.db2.gz QQEWRJRCZIATPE-ZDUSSCGKSA-N 1 3 392.345 3.379 20 0 GGADHO FC(F)(F)[C@@H](CN[C@H]1CCSc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423382426 566486389 /nfs/dbraw/zinc/48/63/89/566486389.db2.gz INFYEXIXUGYNKB-DZGCQCFKSA-N 1 3 379.879 3.303 20 0 GGADHO FC(F)(F)[C@H](CN[C@H]1CCSc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423382430 566486637 /nfs/dbraw/zinc/48/66/37/566486637.db2.gz INFYEXIXUGYNKB-ZFWWWQNUSA-N 1 3 379.879 3.303 20 0 GGADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000423392848 566486774 /nfs/dbraw/zinc/48/67/74/566486774.db2.gz QUIMAPGLCRAIJQ-IINYFYTJSA-N 1 3 398.242 3.075 20 0 GGADHO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000423417406 566487859 /nfs/dbraw/zinc/48/78/59/566487859.db2.gz FHJBLDLDNZXHLB-CKEIUWERSA-N 1 3 387.977 3.054 20 0 GGADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423493022 566490322 /nfs/dbraw/zinc/49/03/22/566490322.db2.gz PFDBWRWICCZCEK-NJZAAPMLSA-N 1 3 378.318 3.116 20 0 GGADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000512041141 566508949 /nfs/dbraw/zinc/50/89/49/566508949.db2.gz SKGMJUXYPCEKCF-GJZGRUSLSA-N 1 3 385.346 3.437 20 0 GGADHO Brc1cscc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000512135071 566515263 /nfs/dbraw/zinc/51/52/63/566515263.db2.gz DUZRKFRIDKKHRZ-UHFFFAOYSA-N 1 3 395.370 3.208 20 0 GGADHO COc1cc(Br)c(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424282816 566524435 /nfs/dbraw/zinc/52/44/35/566524435.db2.gz ARSRMAWLXXQTQO-ZDUSSCGKSA-N 1 3 383.330 3.430 20 0 GGADHO C[C@@H]1CC2(CN1Cc1cc3c(cc1Br)OCCO3)CC[NH2+]CC2 ZINC000424283212 566525393 /nfs/dbraw/zinc/52/53/93/566525393.db2.gz BBJRXKBPBBFPTC-CYBMUJFWSA-N 1 3 381.314 3.184 20 0 GGADHO COc1cc(Br)c(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424282815 566525493 /nfs/dbraw/zinc/52/54/93/566525493.db2.gz ARSRMAWLXXQTQO-CYBMUJFWSA-N 1 3 383.330 3.430 20 0 GGADHO CN(C)CCN1CCC([NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449073052 566528246 /nfs/dbraw/zinc/52/82/46/566528246.db2.gz HICZZJDZOGVGSF-UHFFFAOYSA-N 1 3 398.364 3.450 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccc(Cl)s1 ZINC000465695667 566540983 /nfs/dbraw/zinc/54/09/83/566540983.db2.gz ZNBKQXZBLNUUSB-OAHLLOKOSA-N 1 3 386.993 3.002 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccc(Cl)s1 ZINC000465695667 566540991 /nfs/dbraw/zinc/54/09/91/566540991.db2.gz ZNBKQXZBLNUUSB-OAHLLOKOSA-N 1 3 386.993 3.002 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(C)c(Br)cn1 ZINC000628278594 566543266 /nfs/dbraw/zinc/54/32/66/566543266.db2.gz XUEXCAXGIQCYNP-QGZVFWFLSA-N 1 3 383.378 3.000 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(C)c(Br)cn1 ZINC000628278594 566543269 /nfs/dbraw/zinc/54/32/69/566543269.db2.gz XUEXCAXGIQCYNP-QGZVFWFLSA-N 1 3 383.378 3.000 20 0 GGADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000673601880 566547290 /nfs/dbraw/zinc/54/72/90/566547290.db2.gz BKFLLZPUUMBCTO-RHSMWYFYSA-N 1 3 398.364 3.277 20 0 GGADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000539308161 566572213 /nfs/dbraw/zinc/57/22/13/566572213.db2.gz HVCFSAOIXILTKM-IFIJOSMWSA-N 1 3 385.371 3.278 20 0 GGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000449597578 566578882 /nfs/dbraw/zinc/57/88/82/566578882.db2.gz FYBCWMVXAOZRFH-AWEZNQCLSA-N 1 3 387.337 3.203 20 0 GGADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000449596719 566578894 /nfs/dbraw/zinc/57/88/94/566578894.db2.gz CFXMEQNLNMKVNM-IYOUNJFTSA-N 1 3 387.337 3.059 20 0 GGADHO CC[N@H+]1CC[C@H](NC[C@H](CO)Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000449596719 566578896 /nfs/dbraw/zinc/57/88/96/566578896.db2.gz CFXMEQNLNMKVNM-IYOUNJFTSA-N 1 3 387.337 3.059 20 0 GGADHO COc1ccc(C[C@@H](CO)CNC2CC[NH+](C(C)C)CC2)cc1Br ZINC000449596846 566579144 /nfs/dbraw/zinc/57/91/44/566579144.db2.gz CKGUCPRMTZONPR-MRXNPFEDSA-N 1 3 399.373 3.071 20 0 GGADHO Cc1ccc(C[C@H](CO)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000449599465 566580895 /nfs/dbraw/zinc/58/08/95/566580895.db2.gz LASMTYSNJYIACB-BZSNNMDCSA-N 1 3 381.358 3.125 20 0 GGADHO Cc1ccc(C[C@H](CO)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000449599465 566580897 /nfs/dbraw/zinc/58/08/97/566580897.db2.gz LASMTYSNJYIACB-BZSNNMDCSA-N 1 3 381.358 3.125 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449684989 566592475 /nfs/dbraw/zinc/59/24/75/566592475.db2.gz QSAIBONAXIDRFN-JQHSSLGASA-N 1 3 381.358 3.125 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449684989 566592479 /nfs/dbraw/zinc/59/24/79/566592479.db2.gz QSAIBONAXIDRFN-JQHSSLGASA-N 1 3 381.358 3.125 20 0 GGADHO Brc1ccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000466905053 566607684 /nfs/dbraw/zinc/60/76/84/566607684.db2.gz PQWFSRBRQUFGMK-UHFFFAOYSA-N 1 3 397.357 3.405 20 0 GGADHO COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)C[C@H]1c1ccc(Br)cc1 ZINC000425507953 566650168 /nfs/dbraw/zinc/65/01/68/566650168.db2.gz HBQAETCEBSKDPG-OKZBNKHCSA-N 1 3 395.341 3.122 20 0 GGADHO COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)C[C@H]1c1ccc(Br)cc1 ZINC000425507953 566650172 /nfs/dbraw/zinc/65/01/72/566650172.db2.gz HBQAETCEBSKDPG-OKZBNKHCSA-N 1 3 395.341 3.122 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(Br)cc1 ZINC000607055550 566655327 /nfs/dbraw/zinc/65/53/27/566655327.db2.gz JUDPKPBUOBGFLP-QGZVFWFLSA-N 1 3 397.361 3.329 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(Br)cc1 ZINC000607055550 566655336 /nfs/dbraw/zinc/65/53/36/566655336.db2.gz JUDPKPBUOBGFLP-QGZVFWFLSA-N 1 3 397.361 3.329 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cc(F)c(Cl)cc1Cl ZINC000607226070 566665115 /nfs/dbraw/zinc/66/51/15/566665115.db2.gz WZKGSGITQJSNQO-GFCCVEGCSA-N 1 3 393.334 3.328 20 0 GGADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2)CC1 ZINC000675872769 566668567 /nfs/dbraw/zinc/66/85/67/566668567.db2.gz NYJLWPKWQZXJHO-LPHOPBHVSA-N 1 3 378.358 3.195 20 0 GGADHO Brc1ccc(-n2cc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000515061148 566689452 /nfs/dbraw/zinc/68/94/52/566689452.db2.gz TXHXVEFOWSQLPO-IAGOWNOFSA-N 1 3 389.341 3.456 20 0 GGADHO Brc1cccc(N2CC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000561402943 566701499 /nfs/dbraw/zinc/70/14/99/566701499.db2.gz WNMBTLDOCOSLSC-GOSISDBHSA-N 1 3 378.358 3.492 20 0 GGADHO O=C1CC[C@@H](N[C@H]2CCSc3c(Cl)cccc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000515404103 566710359 /nfs/dbraw/zinc/71/03/59/566710359.db2.gz NHZBTIDLVNFPLB-JZXOWHBKSA-N 1 3 379.957 3.113 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000516921843 566791354 /nfs/dbraw/zinc/79/13/54/566791354.db2.gz QTMSRNQTIYJQHB-HNNXBMFYSA-N 1 3 382.346 3.488 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000516921843 566791363 /nfs/dbraw/zinc/79/13/63/566791363.db2.gz QTMSRNQTIYJQHB-HNNXBMFYSA-N 1 3 382.346 3.488 20 0 GGADHO CC(C)N1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000516921843 566791370 /nfs/dbraw/zinc/79/13/70/566791370.db2.gz QTMSRNQTIYJQHB-HNNXBMFYSA-N 1 3 382.346 3.488 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000516921844 566791661 /nfs/dbraw/zinc/79/16/61/566791661.db2.gz QTMSRNQTIYJQHB-OAHLLOKOSA-N 1 3 382.346 3.488 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000516921844 566791668 /nfs/dbraw/zinc/79/16/68/566791668.db2.gz QTMSRNQTIYJQHB-OAHLLOKOSA-N 1 3 382.346 3.488 20 0 GGADHO CC(C)N1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000516921844 566791672 /nfs/dbraw/zinc/79/16/72/566791672.db2.gz QTMSRNQTIYJQHB-OAHLLOKOSA-N 1 3 382.346 3.488 20 0 GGADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2)CC1 ZINC000678684630 566812149 /nfs/dbraw/zinc/81/21/49/566812149.db2.gz ASEWKZSQLPIPJZ-IFXJQAMLSA-N 1 3 378.358 3.195 20 0 GGADHO CN1CC[NH+](CCCCNCc2oc3ccccc3c2Br)CC1 ZINC000655710606 566837956 /nfs/dbraw/zinc/83/79/56/566837956.db2.gz BQBVSKMTBUENGX-UHFFFAOYSA-N 1 3 380.330 3.313 20 0 GGADHO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1cccc(OCCN(C)C)c1 ZINC000490277227 566840176 /nfs/dbraw/zinc/84/01/76/566840176.db2.gz UHEUZWQGKSUKBV-HNNXBMFYSA-N 1 3 395.345 3.327 20 0 GGADHO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cccc(OCCN(C)C)c1 ZINC000490277228 566840745 /nfs/dbraw/zinc/84/07/45/566840745.db2.gz UHEUZWQGKSUKBV-OAHLLOKOSA-N 1 3 395.345 3.327 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000543079954 566850469 /nfs/dbraw/zinc/85/04/69/566850469.db2.gz QGANVWJYASZKQX-LJQANCHMSA-N 1 3 380.374 3.442 20 0 GGADHO C[C@@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490632672 566872390 /nfs/dbraw/zinc/87/23/90/566872390.db2.gz SXSGUEIPFWJIMG-BEFAXECRSA-N 1 3 386.367 3.330 20 0 GGADHO C[C@@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490632672 566872399 /nfs/dbraw/zinc/87/23/99/566872399.db2.gz SXSGUEIPFWJIMG-BEFAXECRSA-N 1 3 386.367 3.330 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000491587716 566911443 /nfs/dbraw/zinc/91/14/43/566911443.db2.gz BDCCLXSZLOKODU-AWEZNQCLSA-N 1 3 396.373 3.149 20 0 GGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429429080 566930475 /nfs/dbraw/zinc/93/04/75/566930475.db2.gz SDAWGMSNZCLEAK-INIZCTEOSA-N 1 3 383.374 3.453 20 0 GGADHO CC(C)(C)[NH+]1CCC(NC[C@@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429429080 566930485 /nfs/dbraw/zinc/93/04/85/566930485.db2.gz SDAWGMSNZCLEAK-INIZCTEOSA-N 1 3 383.374 3.453 20 0 GGADHO Cc1cc(N2CC[C@H](N[C@@H](C)C3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000680940327 566942241 /nfs/dbraw/zinc/94/22/41/566942241.db2.gz RAGUGZRPADPUKB-KSSFIOAISA-N 1 3 394.357 3.183 20 0 GGADHO Cc1cc(N2CC[C@@H](N[C@@H](C)C3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000680940321 566942504 /nfs/dbraw/zinc/94/25/04/566942504.db2.gz RAGUGZRPADPUKB-KBXCAEBGSA-N 1 3 394.357 3.183 20 0 GGADHO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCCN1CCN(C)CC1)CC2 ZINC000584208282 567022355 /nfs/dbraw/zinc/02/23/55/567022355.db2.gz FNJJSXMTBMXEIG-SFHVURJKSA-N 1 3 380.374 3.362 20 0 GGADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCCOc2cccc(I)c2)C1 ZINC000430579274 567023207 /nfs/dbraw/zinc/02/32/07/567023207.db2.gz CAQGUHRVEMSCEF-ZIAGYGMSSA-N 1 3 388.293 3.119 20 0 GGADHO C[C@H]([NH3+])[C@@H]1CCCN(CCCOc2cccc(I)c2)C1 ZINC000430579273 567023304 /nfs/dbraw/zinc/02/33/04/567023304.db2.gz CAQGUHRVEMSCEF-UONOGXRCSA-N 1 3 388.293 3.119 20 0 GGADHO CCOCCOc1ccc(Br)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430918533 567040335 /nfs/dbraw/zinc/04/03/35/567040335.db2.gz HSVVMZGVWLGRBD-UHFFFAOYSA-N 1 3 397.357 3.440 20 0 GGADHO Cc1c(Br)cncc1C[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000657351687 567050282 /nfs/dbraw/zinc/05/02/82/567050282.db2.gz SHBRTSFRIXAGPC-UHFFFAOYSA-N 1 3 392.341 3.425 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cncc(Br)c2C)[C@@H](C)C1 ZINC000657362342 567051170 /nfs/dbraw/zinc/05/11/70/567051170.db2.gz AJGGCYZRYGGOEO-KBXCAEBGSA-N 1 3 384.362 3.379 20 0 GGADHO CCN1CCN(CCC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453081849 567051342 /nfs/dbraw/zinc/05/13/42/567051342.db2.gz MHDNFOZDQIYLGK-HXUWFJFHSA-N 1 3 394.401 3.387 20 0 GGADHO CCC[NH+]1CCC(NCCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000545518247 567058011 /nfs/dbraw/zinc/05/80/11/567058011.db2.gz RCDNCKUSMQXBPK-UHFFFAOYSA-N 1 3 379.346 3.412 20 0 GGADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000565539891 567077277 /nfs/dbraw/zinc/07/72/77/567077277.db2.gz GBKQJPUGYVKQKT-OALUTQOASA-N 1 3 389.337 3.349 20 0 GGADHO CSC1(CNCc2cc(Br)cc3c2OCC3)CC[NH+](C)CC1 ZINC000565626015 567085277 /nfs/dbraw/zinc/08/52/77/567085277.db2.gz KNRYVMWYESZLPK-UHFFFAOYSA-N 1 3 385.371 3.301 20 0 GGADHO CN1CCC(N2CC[C@H]([NH2+]C3CC(c4cccc(Br)c4)C3)C2)CC1 ZINC000683347369 567115189 /nfs/dbraw/zinc/11/51/89/567115189.db2.gz PMHYSSCJBJTVQG-AVAKVYKDSA-N 1 3 392.385 3.453 20 0 GGADHO CN1CCC(N2CC[C@@H]([NH2+]C3CC(c4cccc(Br)c4)C3)C2)CC1 ZINC000683347370 567117169 /nfs/dbraw/zinc/11/71/69/567117169.db2.gz PMHYSSCJBJTVQG-CUYAVPTFSA-N 1 3 392.385 3.453 20 0 GGADHO C[C@H]1CN(CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCCO1 ZINC000432361274 567153666 /nfs/dbraw/zinc/15/36/66/567153666.db2.gz CNICAXBZKHGRKO-HNNXBMFYSA-N 1 3 395.341 3.315 20 0 GGADHO CC1CC[NH+](C[C@H](O)CNC2CC(c3cccc(Br)c3)C2)CC1 ZINC000432426294 567160147 /nfs/dbraw/zinc/16/01/47/567160147.db2.gz PZAGSWWGHVELCY-NKELODKYSA-N 1 3 381.358 3.378 20 0 GGADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cnn2cc(Br)cnc12 ZINC000638366619 567245115 /nfs/dbraw/zinc/24/51/15/567245115.db2.gz PSGKSDSPOPDHRM-AWEZNQCLSA-N 1 3 380.334 3.236 20 0 GGADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cnn2cc(Br)cnc12 ZINC000638366619 567245124 /nfs/dbraw/zinc/24/51/24/567245124.db2.gz PSGKSDSPOPDHRM-AWEZNQCLSA-N 1 3 380.334 3.236 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(Br)c1 ZINC000525372303 567245208 /nfs/dbraw/zinc/24/52/08/567245208.db2.gz CGEVMJPTVINZPX-QGZVFWFLSA-N 1 3 397.361 3.329 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(Br)c1 ZINC000525372303 567245215 /nfs/dbraw/zinc/24/52/15/567245215.db2.gz CGEVMJPTVINZPX-QGZVFWFLSA-N 1 3 397.361 3.329 20 0 GGADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000590787269 567248510 /nfs/dbraw/zinc/24/85/10/567248510.db2.gz XQAWSWMATUMRQN-SFHVURJKSA-N 1 3 399.373 3.241 20 0 GGADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000590787269 567248519 /nfs/dbraw/zinc/24/85/19/567248519.db2.gz XQAWSWMATUMRQN-SFHVURJKSA-N 1 3 399.373 3.241 20 0 GGADHO Cc1cc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(Br)c1 ZINC000525890290 567273342 /nfs/dbraw/zinc/27/33/42/567273342.db2.gz GHDBRNUIGDYGHC-UHFFFAOYSA-N 1 3 385.350 3.023 20 0 GGADHO CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638852929 567274558 /nfs/dbraw/zinc/27/45/58/567274558.db2.gz OMOGOYQXFHJAKW-KDOFPFPSSA-N 1 3 399.373 3.350 20 0 GGADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(Br)cc1F ZINC000499912503 567284099 /nfs/dbraw/zinc/28/40/99/567284099.db2.gz JAVLYYBYLMPWAA-UHFFFAOYSA-N 1 3 386.309 3.335 20 0 GGADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(Br)cc1F ZINC000499912503 567284107 /nfs/dbraw/zinc/28/41/07/567284107.db2.gz JAVLYYBYLMPWAA-UHFFFAOYSA-N 1 3 386.309 3.335 20 0 GGADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567894640 567288816 /nfs/dbraw/zinc/28/88/16/567288816.db2.gz KZBCDVHWIBPOPW-HOTGVXAUSA-N 1 3 384.351 3.273 20 0 GGADHO [NH3+]C[C@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000568513197 567334234 /nfs/dbraw/zinc/33/42/34/567334234.db2.gz KHHIILHWDAJEEX-ZDUSSCGKSA-N 1 3 386.323 3.009 20 0 GGADHO NC[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000568513197 567334239 /nfs/dbraw/zinc/33/42/39/567334239.db2.gz KHHIILHWDAJEEX-ZDUSSCGKSA-N 1 3 386.323 3.009 20 0 GGADHO NC[C@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000568513197 567334244 /nfs/dbraw/zinc/33/42/44/567334244.db2.gz KHHIILHWDAJEEX-ZDUSSCGKSA-N 1 3 386.323 3.009 20 0 GGADHO [NH3+][C@@H]1CCC[C@H](CN[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000568749484 567353801 /nfs/dbraw/zinc/35/38/01/567353801.db2.gz YGGZMGCVDCSBBG-VHSSKADRSA-N 1 3 375.314 3.436 20 0 GGADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cc(F)c(Br)cc1F ZINC000527866124 567379681 /nfs/dbraw/zinc/37/96/81/567379681.db2.gz NTLXFENGIVQOMO-GFCCVEGCSA-N 1 3 390.316 3.404 20 0 GGADHO CCN(CCC(=O)Nc1ccc(Br)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435623420 567379829 /nfs/dbraw/zinc/37/98/29/567379829.db2.gz CNYVAYWBSNDAFF-AWEZNQCLSA-N 1 3 386.309 3.381 20 0 GGADHO CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@H]1CCCNCC1 ZINC000435623420 567379832 /nfs/dbraw/zinc/37/98/32/567379832.db2.gz CNYVAYWBSNDAFF-AWEZNQCLSA-N 1 3 386.309 3.381 20 0 GGADHO CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@H]1CCCNCC1 ZINC000435623420 567379836 /nfs/dbraw/zinc/37/98/36/567379836.db2.gz CNYVAYWBSNDAFF-AWEZNQCLSA-N 1 3 386.309 3.381 20 0 GGADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cc(F)c(Br)cc1F ZINC000527866125 567380029 /nfs/dbraw/zinc/38/00/29/567380029.db2.gz NTLXFENGIVQOMO-LBPRGKRZSA-N 1 3 390.316 3.404 20 0 GGADHO C[C@H](NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccc(Br)cc1 ZINC000662315852 567427762 /nfs/dbraw/zinc/42/77/62/567427762.db2.gz UECLXFVXTWGBPT-RVKKMQEKSA-N 1 3 396.373 3.466 20 0 GGADHO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(s2)CCNC3)[C@@H]1c1cccs1 ZINC000662474175 567439845 /nfs/dbraw/zinc/43/98/45/567439845.db2.gz UBOUFBWPEBGTDC-FZKQIMNGSA-N 1 3 375.563 3.268 20 0 GGADHO C[N@H+]1CCC[C@H](CNC(=O)c2cc3c(s2)CCNC3)[C@@H]1c1cccs1 ZINC000662474175 567439854 /nfs/dbraw/zinc/43/98/54/567439854.db2.gz UBOUFBWPEBGTDC-FZKQIMNGSA-N 1 3 375.563 3.268 20 0 GGADHO CN1CCCN(CCC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479062322 567499752 /nfs/dbraw/zinc/49/97/52/567499752.db2.gz OUNHYFLXGXDMCW-IBGZPJMESA-N 1 3 380.374 3.444 20 0 GGADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644529877 567556798 /nfs/dbraw/zinc/55/67/98/567556798.db2.gz HLYDSFZTTPJJTF-HNNXBMFYSA-N 1 3 375.340 3.443 20 0 GGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644532068 567556833 /nfs/dbraw/zinc/55/68/33/567556833.db2.gz YTJVTNUMHHBKMZ-CABCVRRESA-N 1 3 375.340 3.443 20 0 GGADHO O=C(CCNC1CC[NH+](CC2CC2)CC1)Nc1cccc(Br)c1 ZINC000644525701 567556893 /nfs/dbraw/zinc/55/68/93/567556893.db2.gz WZHPQIHXQWHKFO-UHFFFAOYSA-N 1 3 380.330 3.242 20 0 GGADHO O=C(CC[NH2+]C1CCN(CC2CC2)CC1)Nc1cccc(Br)c1 ZINC000644525701 567556895 /nfs/dbraw/zinc/55/68/95/567556895.db2.gz WZHPQIHXQWHKFO-UHFFFAOYSA-N 1 3 380.330 3.242 20 0 GGADHO C[C@@H](CC[NH2+]C[C@H](O)COc1ccc(Br)cc1)N1CCCCC1 ZINC000644621028 567564849 /nfs/dbraw/zinc/56/48/49/567564849.db2.gz NULYSOSDCLYUII-RDJZCZTQSA-N 1 3 385.346 3.043 20 0 GGADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4cccc(Br)c4C3)C2)CC1 ZINC000645155428 567608552 /nfs/dbraw/zinc/60/85/52/567608552.db2.gz VPKKIEIOESISCV-SJORKVTESA-N 1 3 392.385 3.065 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCc1ccc(Cl)cc1Cl ZINC000530845327 567626259 /nfs/dbraw/zinc/62/62/59/567626259.db2.gz HKXZVPPPQIVWCL-UHFFFAOYSA-N 1 3 389.371 3.061 20 0 GGADHO CN1CCN(CCNc2ccnc3cc(Br)ccc32)CC1(C)C ZINC000440647716 567637199 /nfs/dbraw/zinc/63/71/99/567637199.db2.gz IDYPAQPLDNKHQY-UHFFFAOYSA-N 1 3 377.330 3.435 20 0 GGADHO C[N@@H+]1CCN(CCNc2ccnc3cc(Br)ccc32)CC1(C)C ZINC000440647716 567637201 /nfs/dbraw/zinc/63/72/01/567637201.db2.gz IDYPAQPLDNKHQY-UHFFFAOYSA-N 1 3 377.330 3.435 20 0 GGADHO C[N@H+]1CCN(CCNc2ccnc3cc(Br)ccc32)CC1(C)C ZINC000440647716 567637207 /nfs/dbraw/zinc/63/72/07/567637207.db2.gz IDYPAQPLDNKHQY-UHFFFAOYSA-N 1 3 377.330 3.435 20 0 GGADHO OC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)c(F)c1 ZINC000459561160 567637625 /nfs/dbraw/zinc/63/76/25/567637625.db2.gz QYEQSVIMXUQDSZ-GOSISDBHSA-N 1 3 394.288 3.275 20 0 GGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000459691563 567651002 /nfs/dbraw/zinc/65/10/02/567651002.db2.gz GDZFXODXVZEUQK-HNNXBMFYSA-N 1 3 387.337 3.203 20 0 GGADHO COc1cc(Br)c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000572763215 567663241 /nfs/dbraw/zinc/66/32/41/567663241.db2.gz TXEHPXYAUJTQPP-KBPBESRZSA-N 1 3 383.330 3.288 20 0 GGADHO COc1cc(Br)c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000572763216 567663538 /nfs/dbraw/zinc/66/35/38/567663538.db2.gz TXEHPXYAUJTQPP-KGLIPLIRSA-N 1 3 383.330 3.288 20 0 GGADHO CSc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)cc1Cl ZINC000531618256 567669833 /nfs/dbraw/zinc/66/98/33/567669833.db2.gz MQULGHVNJVTLGA-UHFFFAOYSA-N 1 3 378.369 3.281 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(Br)ccc1C ZINC000460906683 567709817 /nfs/dbraw/zinc/70/98/17/567709817.db2.gz DDOMTPUFXZLKKP-QGZVFWFLSA-N 1 3 396.373 3.246 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(Br)ccc1C ZINC000460906683 567709822 /nfs/dbraw/zinc/70/98/22/567709822.db2.gz DDOMTPUFXZLKKP-QGZVFWFLSA-N 1 3 396.373 3.246 20 0 GGADHO CN1CCN(CC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1(C)C ZINC000442877051 567714187 /nfs/dbraw/zinc/71/41/87/567714187.db2.gz QQZTVMBGHJOVMM-KRWDZBQOSA-N 1 3 396.373 3.278 20 0 GGADHO CN1CCN(CC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1(C)C ZINC000442869695 567714285 /nfs/dbraw/zinc/71/42/85/567714285.db2.gz FBCYOFGCUPXBCU-KRWDZBQOSA-N 1 3 396.373 3.278 20 0 GGADHO CN1CCN(CC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1(C)C ZINC000442870598 567714660 /nfs/dbraw/zinc/71/46/60/567714660.db2.gz GFSDBFRMUQYTEY-UHFFFAOYSA-N 1 3 380.374 3.311 20 0 GGADHO Brc1ccc(-c2c[nH]c(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)cc1 ZINC000666927886 567714729 /nfs/dbraw/zinc/71/47/29/567714729.db2.gz DXZSPSVRTKTMOH-JKSUJKDBSA-N 1 3 375.314 3.317 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995106 567716875 /nfs/dbraw/zinc/71/68/75/567716875.db2.gz DKAPXLFLSAWQEZ-CJNGLKHVSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995106 567716878 /nfs/dbraw/zinc/71/68/78/567716878.db2.gz DKAPXLFLSAWQEZ-CJNGLKHVSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995134 567717284 /nfs/dbraw/zinc/71/72/84/567717284.db2.gz DRJJDSOQHIUCGO-CJNGLKHVSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995134 567717291 /nfs/dbraw/zinc/71/72/91/567717291.db2.gz DRJJDSOQHIUCGO-CJNGLKHVSA-N 1 3 380.330 3.431 20 0 GGADHO CN1CCC[C@H](C[N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000508554350 567753767 /nfs/dbraw/zinc/75/37/67/567753767.db2.gz ULUKFDGHBVNVBI-AWEZNQCLSA-N 1 3 383.330 3.384 20 0 GGADHO CN1CCC[C@H](C[N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000508554350 567753773 /nfs/dbraw/zinc/75/37/73/567753773.db2.gz ULUKFDGHBVNVBI-AWEZNQCLSA-N 1 3 383.330 3.384 20 0 GGADHO CSC1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCN(C)CC1 ZINC000554981956 567761678 /nfs/dbraw/zinc/76/16/78/567761678.db2.gz JJYHIYXGRLOACW-UHFFFAOYSA-N 1 3 383.359 3.014 20 0 GGADHO CSC1(CNCc2cnc3ccc(Br)cn23)CC[NH+](C)CC1 ZINC000554981956 567761680 /nfs/dbraw/zinc/76/16/80/567761680.db2.gz JJYHIYXGRLOACW-UHFFFAOYSA-N 1 3 383.359 3.014 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2cc(Br)ccc2c1 ZINC000533326596 567763775 /nfs/dbraw/zinc/76/37/75/567763775.db2.gz YCHIXRZGWKOYPQ-UHFFFAOYSA-N 1 3 392.341 3.168 20 0 GGADHO C[C@@H](CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)N1CCCCC1 ZINC000574632150 567789504 /nfs/dbraw/zinc/78/95/04/567789504.db2.gz XVNRTWYMYXJZCQ-DOTOQJQBSA-N 1 3 385.346 3.043 20 0 GGADHO Brc1cncc(Br)c1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798834 567801931 /nfs/dbraw/zinc/80/19/31/567801931.db2.gz XZSURWKBYADAND-GARJFASQSA-N 1 3 389.135 3.084 20 0 GGADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000647791863 567802237 /nfs/dbraw/zinc/80/22/37/567802237.db2.gz OSVZEPMIMOFXPM-XDQVBPFNSA-N 1 3 381.314 3.259 20 0 GGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000647987296 567809905 /nfs/dbraw/zinc/80/99/05/567809905.db2.gz GUOOLGAEIUZNMK-RRFJBIMHSA-N 1 3 384.351 3.492 20 0 GGADHO O=C([O-])CCCN1CCC([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000833773100 605222443 /nfs/dbraw/zinc/22/24/43/605222443.db2.gz IMRCSSXSJYZJCU-UHFFFAOYSA-N 1 3 387.568 3.481 20 0 GGADHO CN(CCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)Cc1ccccc1 ZINC000054761324 1406820321 /nfs/dbraw/zinc/82/03/21/1406820321.db2.gz PWINAILGIZUGLK-UHFFFAOYSA-N 1 3 386.515 3.031 20 0 GGADHO CN(C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)Cc1ccccc1 ZINC000054920545 1406851213 /nfs/dbraw/zinc/85/12/13/1406851213.db2.gz HDIHJERHKYMQFK-QHCPKHFHSA-N 1 3 394.563 3.255 20 0 GGADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000043240212 1403732545 /nfs/dbraw/zinc/73/25/45/1403732545.db2.gz DFTIANFGXHAHBB-JOCHJYFZSA-N 1 3 380.536 3.034 20 0 GGADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000043240215 1403732560 /nfs/dbraw/zinc/73/25/60/1403732560.db2.gz DFTIANFGXHAHBB-QFIPXVFZSA-N 1 3 380.536 3.034 20 0 GGADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000046926775 1404637468 /nfs/dbraw/zinc/63/74/68/1404637468.db2.gz HYFKFURAQWJVEJ-UHFFFAOYSA-N 1 3 380.536 3.166 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccsc1 ZINC000047777836 1404940560 /nfs/dbraw/zinc/94/05/60/1404940560.db2.gz LQMFNRLOAIZFLP-ROUUACIJSA-N 1 3 390.553 3.470 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccsc1 ZINC000047777838 1404940597 /nfs/dbraw/zinc/94/05/97/1404940597.db2.gz LQMFNRLOAIZFLP-ZWKOTPCHSA-N 1 3 390.553 3.470 20 0 GGADHO COc1cccc([C@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)N2CCCC2)c1 ZINC000047883624 1404982635 /nfs/dbraw/zinc/98/26/35/1404982635.db2.gz OWHGNGUWZHTAFS-NRFANRHFSA-N 1 3 388.556 3.004 20 0 GGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000047929659 1405001405 /nfs/dbraw/zinc/00/14/05/1405001405.db2.gz BYMHUAVFLQJJQI-QHCPKHFHSA-N 1 3 396.579 3.499 20 0 GGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000047929659 1405001409 /nfs/dbraw/zinc/00/14/09/1405001409.db2.gz BYMHUAVFLQJJQI-QHCPKHFHSA-N 1 3 396.579 3.499 20 0 GGADHO CC[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)N1CCc2ccccc2C1 ZINC000049164748 1405347463 /nfs/dbraw/zinc/34/74/63/1405347463.db2.gz LGOBCNGCRVSLIM-QHCPKHFHSA-N 1 3 394.563 3.384 20 0 GGADHO CC(C)c1cccc(O[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050797724 1405655320 /nfs/dbraw/zinc/65/53/20/1405655320.db2.gz DVPLSEIYWPHFNI-GOSISDBHSA-N 1 3 387.568 3.252 20 0 GGADHO Cc1cc(O[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000050797682 1405655380 /nfs/dbraw/zinc/65/53/80/1405655380.db2.gz SOBILGRMMPEZEE-INIZCTEOSA-N 1 3 393.959 3.091 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CCCOc3ccc(Cl)cc3)CC2)CC1 ZINC000050797696 1405655499 /nfs/dbraw/zinc/65/54/99/1405655499.db2.gz TXFMJFPGRANUKP-UHFFFAOYSA-N 1 3 393.959 3.174 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)CC1 ZINC000050797754 1405655616 /nfs/dbraw/zinc/65/56/16/1405655616.db2.gz GVGLFHWSPZSBOP-SJORKVTESA-N 1 3 375.479 3.030 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CCCOc3ccccc3Cl)CC2)CC1 ZINC000050797404 1405656040 /nfs/dbraw/zinc/65/60/40/1405656040.db2.gz HZURLGXTSTUTAL-UHFFFAOYSA-N 1 3 393.959 3.174 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC000050797837 1405657504 /nfs/dbraw/zinc/65/75/04/1405657504.db2.gz PIBUHTFDLNBWNB-GJZGRUSLSA-N 1 3 375.479 3.030 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)CC1 ZINC000050802246 1405658984 /nfs/dbraw/zinc/65/89/84/1405658984.db2.gz WTQMVRUBOYQWRZ-UHFFFAOYSA-N 1 3 394.563 3.335 20 0 GGADHO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802472 1405659027 /nfs/dbraw/zinc/65/90/27/1405659027.db2.gz ZWCPSENMERDKAX-MRXNPFEDSA-N 1 3 393.959 3.091 20 0 GGADHO Cc1cc(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1C(C)C ZINC000050801591 1405659309 /nfs/dbraw/zinc/65/93/09/1405659309.db2.gz AZUXOCBXFUUQMF-UHFFFAOYSA-N 1 3 387.568 3.172 20 0 GGADHO Cc1ccc2c(CC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)coc2c1C ZINC000050802679 1405660145 /nfs/dbraw/zinc/66/01/45/1405660145.db2.gz CKNRVPXUNHWQGA-UHFFFAOYSA-N 1 3 383.536 3.267 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000050802599 1405660360 /nfs/dbraw/zinc/66/03/60/1405660360.db2.gz IDFMSIBNKWGKLM-UHFFFAOYSA-N 1 3 382.552 3.165 20 0 GGADHO Cc1ccc(SCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000050802667 1405660607 /nfs/dbraw/zinc/66/06/07/1405660607.db2.gz SDQBBUFBEIIVBQ-UHFFFAOYSA-N 1 3 389.609 3.460 20 0 GGADHO Cc1nn(-c2ccccc2)c(C)c1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000051189708 1405741178 /nfs/dbraw/zinc/74/11/78/1405741178.db2.gz OJLXRUNBQQYIRS-UHFFFAOYSA-N 1 3 381.568 3.137 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000051238332 1405751286 /nfs/dbraw/zinc/75/12/86/1405751286.db2.gz GKKHFFFDIKZMGB-UHFFFAOYSA-N 1 3 388.600 3.061 20 0 GGADHO Cc1cc(C)c(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000051275130 1405769469 /nfs/dbraw/zinc/76/94/69/1405769469.db2.gz KHVUHWQCDDINQH-UHFFFAOYSA-N 1 3 386.584 3.012 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000051758489 1405860678 /nfs/dbraw/zinc/86/06/78/1405860678.db2.gz LMSKSYFGEURRFG-UHFFFAOYSA-N 1 3 398.595 3.209 20 0 GGADHO CC(C)[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000051759230 1405860705 /nfs/dbraw/zinc/86/07/05/1405860705.db2.gz QDLLUTFSOAMMFR-NRFANRHFSA-N 1 3 390.547 3.381 20 0 GGADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCCc2ccccc21 ZINC000051759514 1405860748 /nfs/dbraw/zinc/86/07/48/1405860748.db2.gz XSQOPFSLLAIQOL-QFIPXVFZSA-N 1 3 384.568 3.264 20 0 GGADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759116 1405860756 /nfs/dbraw/zinc/86/07/56/1405860756.db2.gz XNANKIDZYXVUCL-INIZCTEOSA-N 1 3 376.520 3.087 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000051758976 1405860804 /nfs/dbraw/zinc/86/08/04/1405860804.db2.gz VLUGEUFVSJMQSA-NRFANRHFSA-N 1 3 388.531 3.231 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3c3ccsc3)CC2)CC1 ZINC000051760711 1405861198 /nfs/dbraw/zinc/86/11/98/1405861198.db2.gz HEAFTEUAEQSWJZ-LJQANCHMSA-N 1 3 376.570 3.153 20 0 GGADHO CC[C@@H]1c2ccsc2CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760165 1405861351 /nfs/dbraw/zinc/86/13/51/1405861351.db2.gz QZEXRJZXXYOARQ-LJQANCHMSA-N 1 3 390.597 3.326 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCSc4ccccc43)CC2)CC1 ZINC000051760542 1405861488 /nfs/dbraw/zinc/86/14/88/1405861488.db2.gz MXNCVYZCYBSUAR-IBGZPJMESA-N 1 3 388.581 3.081 20 0 GGADHO C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777865 1405862598 /nfs/dbraw/zinc/86/25/98/1405862598.db2.gz JFLDVKDUOFVXFC-OAHLLOKOSA-N 1 3 394.510 3.226 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3C3CCCCC3)CC2)CC1 ZINC000051777851 1405862846 /nfs/dbraw/zinc/86/28/46/1405862846.db2.gz LDBMGKMCBYDDJQ-OAQYLSRUSA-N 1 3 376.589 3.299 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3Oc3cccnc3)CC2)CC1 ZINC000052027669 1405905583 /nfs/dbraw/zinc/90/55/83/1405905583.db2.gz WPPZOFSRIZWXNY-UHFFFAOYSA-N 1 3 394.519 3.162 20 0 GGADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N(CCN(C)C)c3ccccc3)cc2)CC1 ZINC000060324394 1407953252 /nfs/dbraw/zinc/95/32/52/1407953252.db2.gz ICNVNGQOPRNRPP-UHFFFAOYSA-N 1 3 394.563 3.425 20 0 GGADHO C[C@@H]1CN(CC2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)C[C@H](C)O1 ZINC000060368382 1407962895 /nfs/dbraw/zinc/96/28/95/1407962895.db2.gz FMXUJBNVTLNCEO-HDICACEKSA-N 1 3 390.524 3.005 20 0 GGADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000176382995 1428287742 /nfs/dbraw/zinc/28/77/42/1428287742.db2.gz PKCDSXLQELQXGD-XXBNENTESA-N 1 3 398.595 3.380 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC)CC2)c1ccsc1 ZINC000176395799 1428298796 /nfs/dbraw/zinc/29/87/96/1428298796.db2.gz LUFLYFMJYBDLAG-QYZOEREBSA-N 1 3 378.586 3.399 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC)CC2)c1ccsc1 ZINC000176395799 1428298810 /nfs/dbraw/zinc/29/88/10/1428298810.db2.gz LUFLYFMJYBDLAG-QYZOEREBSA-N 1 3 378.586 3.399 20 0 GGADHO CN(CCNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)Cc1ccccc1 ZINC000062500075 1408269996 /nfs/dbraw/zinc/26/99/96/1408269996.db2.gz DPPQAKHDNOKXDB-UHFFFAOYSA-N 1 3 386.515 3.031 20 0 GGADHO CC1(C)CC(NC(=S)NC2CCN(Cc3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000063142419 1408307071 /nfs/dbraw/zinc/30/70/71/1408307071.db2.gz HDAPLPLYSWOBTF-UHFFFAOYSA-N 1 3 388.625 3.424 20 0 GGADHO CC(C)[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000063147011 1408307330 /nfs/dbraw/zinc/30/73/30/1408307330.db2.gz YOLUWMACCRUOEG-NRFANRHFSA-N 1 3 388.625 3.236 20 0 GGADHO C[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000063148794 1408308011 /nfs/dbraw/zinc/30/80/11/1408308011.db2.gz HZMZKXMQDSEOKU-RBUKOAKNSA-N 1 3 388.625 3.236 20 0 GGADHO C[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000063148794 1408308023 /nfs/dbraw/zinc/30/80/23/1408308023.db2.gz HZMZKXMQDSEOKU-RBUKOAKNSA-N 1 3 388.625 3.236 20 0 GGADHO C[NH+](C)Cc1cccc(CNC(=S)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000063148230 1408308042 /nfs/dbraw/zinc/30/80/42/1408308042.db2.gz BHUOKHMGPHANIJ-UHFFFAOYSA-N 1 3 396.604 3.377 20 0 GGADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=S)NC3CCN(C)CC3)cc2)C1 ZINC000063149185 1408309222 /nfs/dbraw/zinc/30/92/22/1408309222.db2.gz BQWZCKLOTFHZIO-ROUUACIJSA-N 1 3 388.625 3.223 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063565772 1408372298 /nfs/dbraw/zinc/37/22/98/1408372298.db2.gz GOTIMQCWLMZKKV-HXUWFJFHSA-N 1 3 388.625 3.236 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000063565772 1408372302 /nfs/dbraw/zinc/37/23/02/1408372302.db2.gz GOTIMQCWLMZKKV-HXUWFJFHSA-N 1 3 388.625 3.236 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)N2CCCC2)cc1 ZINC000064237504 1408519256 /nfs/dbraw/zinc/51/92/56/1408519256.db2.gz FSZJHUNUNLEUGY-QFIPXVFZSA-N 1 3 393.535 3.059 20 0 GGADHO C[NH+](C)C1(CNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCCC1 ZINC000064337030 1408536483 /nfs/dbraw/zinc/53/64/83/1408536483.db2.gz ZEZIMWLUQOBFLP-HXUWFJFHSA-N 1 3 397.485 3.432 20 0 GGADHO Cc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)N(C)C)cc1 ZINC000065469424 1408673810 /nfs/dbraw/zinc/67/38/10/1408673810.db2.gz SYZFEXZYNIBKMV-QHCPKHFHSA-N 1 3 394.563 3.345 20 0 GGADHO Cc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)N(C)C)cc1 ZINC000065469424 1408673814 /nfs/dbraw/zinc/67/38/14/1408673814.db2.gz SYZFEXZYNIBKMV-QHCPKHFHSA-N 1 3 394.563 3.345 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000065901146 1408750770 /nfs/dbraw/zinc/75/07/70/1408750770.db2.gz FBNQSYLEYRTEGV-IBGZPJMESA-N 1 3 375.532 3.274 20 0 GGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000066175191 1408786948 /nfs/dbraw/zinc/78/69/48/1408786948.db2.gz XGEDTLXXCLVPEO-GOSISDBHSA-N 1 3 378.586 3.401 20 0 GGADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000066960600 1408963755 /nfs/dbraw/zinc/96/37/55/1408963755.db2.gz PEGFXNXHBLDOFU-GOSISDBHSA-N 1 3 377.548 3.317 20 0 GGADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000066960600 1408963761 /nfs/dbraw/zinc/96/37/61/1408963761.db2.gz PEGFXNXHBLDOFU-GOSISDBHSA-N 1 3 377.548 3.317 20 0 GGADHO CCCOc1c(Cl)cc(C[NH2+]C[C@H](C)N2CCN(CC)CC2)cc1OC ZINC000067671457 1409203731 /nfs/dbraw/zinc/20/37/31/1409203731.db2.gz WNTCRPAAWJFFSJ-INIZCTEOSA-N 1 3 383.964 3.253 20 0 GGADHO CCN1CCN(CCC[NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000067672511 1409203879 /nfs/dbraw/zinc/20/38/79/1409203879.db2.gz BTVISBWBLQFQER-UHFFFAOYSA-N 1 3 397.563 3.488 20 0 GGADHO CCCOc1c(Cl)cc(C[NH2+]C[C@@H](C)N2CCN(CC)CC2)cc1OC ZINC000067671456 1409203917 /nfs/dbraw/zinc/20/39/17/1409203917.db2.gz WNTCRPAAWJFFSJ-MRXNPFEDSA-N 1 3 383.964 3.253 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000067671625 1409203927 /nfs/dbraw/zinc/20/39/27/1409203927.db2.gz JHPWDEGTYAUAQJ-CYBMUJFWSA-N 1 3 393.425 3.005 20 0 GGADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C2CCCC2)CC1 ZINC000067772248 1409226550 /nfs/dbraw/zinc/22/65/50/1409226550.db2.gz BHHHFBJEECAGMO-UHFFFAOYSA-N 1 3 384.568 3.168 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)cc2)CC1 ZINC000068131839 1409310490 /nfs/dbraw/zinc/31/04/90/1409310490.db2.gz JFXFWTCRDBSRSS-HSZRJFAPSA-N 1 3 398.595 3.308 20 0 GGADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000068218245 1409332835 /nfs/dbraw/zinc/33/28/35/1409332835.db2.gz RCRGHEUTBHIZAW-LJQANCHMSA-N 1 3 375.532 3.371 20 0 GGADHO CN(C)[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1ccccc1 ZINC000068564901 1409440170 /nfs/dbraw/zinc/44/01/70/1409440170.db2.gz MNHMMMJYUJEQKT-OAQYLSRUSA-N 1 3 386.515 3.202 20 0 GGADHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC1 ZINC000068565578 1409440772 /nfs/dbraw/zinc/44/07/72/1409440772.db2.gz IUDDUEPEOSNVFA-UHFFFAOYSA-N 1 3 380.964 3.286 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CCC([NH2+]C(C)C)CC3)c(C)c2)CC1 ZINC000069215853 1409588726 /nfs/dbraw/zinc/58/87/26/1409588726.db2.gz AXYCUCYERNOQFP-UHFFFAOYSA-N 1 3 387.572 3.131 20 0 GGADHO CCCN1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000069467161 1409639291 /nfs/dbraw/zinc/63/92/91/1409639291.db2.gz XEQMOPVIAMGRKC-QFIPXVFZSA-N 1 3 387.568 3.288 20 0 GGADHO CCCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000069467156 1409639445 /nfs/dbraw/zinc/63/94/45/1409639445.db2.gz XEQMOPVIAMGRKC-JOCHJYFZSA-N 1 3 387.568 3.288 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000176720260 1428432973 /nfs/dbraw/zinc/43/29/73/1428432973.db2.gz WAMHKOVIGILPIM-IFMALSPDSA-N 1 3 399.579 3.191 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000176720260 1428432987 /nfs/dbraw/zinc/43/29/87/1428432987.db2.gz WAMHKOVIGILPIM-IFMALSPDSA-N 1 3 399.579 3.191 20 0 GGADHO CN(CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)Cc1ccccc1 ZINC000071925456 1409830893 /nfs/dbraw/zinc/83/08/93/1409830893.db2.gz SLJKMQBEPZKSRO-JOCHJYFZSA-N 1 3 380.536 3.255 20 0 GGADHO CN(CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)Cc1ccccc1 ZINC000071925455 1409830964 /nfs/dbraw/zinc/83/09/64/1409830964.db2.gz SLJKMQBEPZKSRO-QFIPXVFZSA-N 1 3 380.536 3.255 20 0 GGADHO CC1CC[NH+](CCCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000072489279 1409849868 /nfs/dbraw/zinc/84/98/68/1409849868.db2.gz WACRXLVAJFZSPM-SFHVURJKSA-N 1 3 378.586 3.306 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)CC1 ZINC000073811050 1409865818 /nfs/dbraw/zinc/86/58/18/1409865818.db2.gz REFQXFJIHDACJW-FSSWDIPSSA-N 1 3 384.568 3.338 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)CC1 ZINC000073811050 1409865820 /nfs/dbraw/zinc/86/58/20/1409865820.db2.gz REFQXFJIHDACJW-FSSWDIPSSA-N 1 3 384.568 3.338 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000074876231 1409878783 /nfs/dbraw/zinc/87/87/83/1409878783.db2.gz ULKHVRXDCWFDSQ-FGZHOGPDSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000074876231 1409878789 /nfs/dbraw/zinc/87/87/89/1409878789.db2.gz ULKHVRXDCWFDSQ-FGZHOGPDSA-N 1 3 386.584 3.413 20 0 GGADHO c1ccc(-c2nnn(CCCCCN3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000075834669 1409883224 /nfs/dbraw/zinc/88/32/24/1409883224.db2.gz VQBWOUQOHSPAHT-FQEVSTJZSA-N 1 3 382.556 3.318 20 0 GGADHO c1ccc(-c2nnn(CCCCC[N@@H+]3CC[C@@H](CN4CCCCC4)C3)n2)cc1 ZINC000075834669 1409883226 /nfs/dbraw/zinc/88/32/26/1409883226.db2.gz VQBWOUQOHSPAHT-FQEVSTJZSA-N 1 3 382.556 3.318 20 0 GGADHO c1ccc(-c2nnn(CCCCC[N@H+]3CC[C@@H](CN4CCCCC4)C3)n2)cc1 ZINC000075834669 1409883229 /nfs/dbraw/zinc/88/32/29/1409883229.db2.gz VQBWOUQOHSPAHT-FQEVSTJZSA-N 1 3 382.556 3.318 20 0 GGADHO c1cc(OCC[NH+]2CCCC2)ccc1CNCc1ccc(N2CCCC2)nc1 ZINC000075771906 1409883331 /nfs/dbraw/zinc/88/33/31/1409883331.db2.gz MXDZXIYVTMUYFO-UHFFFAOYSA-N 1 3 380.536 3.446 20 0 GGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000076331107 1409887751 /nfs/dbraw/zinc/88/77/51/1409887751.db2.gz MBDAAIZMSZPKJN-UHFFFAOYSA-N 1 3 376.504 3.283 20 0 GGADHO CN(C)[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000078434345 1409917184 /nfs/dbraw/zinc/91/71/84/1409917184.db2.gz HHIIMIUDLNRVHI-QFIPXVFZSA-N 1 3 380.536 3.385 20 0 GGADHO CC[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000079256841 1409963409 /nfs/dbraw/zinc/96/34/09/1409963409.db2.gz SUZSTDZQPCXRJP-OAQYLSRUSA-N 1 3 384.568 3.093 20 0 GGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079224239 1409964260 /nfs/dbraw/zinc/96/42/60/1409964260.db2.gz WLDJTNOOUVRZKL-ZWKOTPCHSA-N 1 3 376.570 3.155 20 0 GGADHO CC[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000079256950 1409964477 /nfs/dbraw/zinc/96/44/77/1409964477.db2.gz PAAHGOOYIYTLNS-YADHBBJMSA-N 1 3 384.568 3.093 20 0 GGADHO CC(C)(CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000079493658 1409978459 /nfs/dbraw/zinc/97/84/59/1409978459.db2.gz ZHAVRORVLOPIGB-OAQYLSRUSA-N 1 3 384.568 3.093 20 0 GGADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000080657280 1410009408 /nfs/dbraw/zinc/00/94/08/1410009408.db2.gz ZWCNFVMCVMQIJJ-IRLDBZIGSA-N 1 3 384.568 3.197 20 0 GGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000080657280 1410009416 /nfs/dbraw/zinc/00/94/16/1410009416.db2.gz ZWCNFVMCVMQIJJ-IRLDBZIGSA-N 1 3 384.568 3.197 20 0 GGADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000081333735 1410017614 /nfs/dbraw/zinc/01/76/14/1410017614.db2.gz AHSHVLMUEYJLDV-PMACEKPBSA-N 1 3 375.532 3.228 20 0 GGADHO c1ccc(CCN2CCC([NH2+]CC3(N4CCCCC4)CCOCC3)CC2)cc1 ZINC000089595004 1410055618 /nfs/dbraw/zinc/05/56/18/1410055618.db2.gz UXQZYSCNWIXUMR-UHFFFAOYSA-N 1 3 385.596 3.318 20 0 GGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000090028550 1410061043 /nfs/dbraw/zinc/06/10/43/1410061043.db2.gz WWNOQTXQTKJUKU-HSZRJFAPSA-N 1 3 377.532 3.159 20 0 GGADHO C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)CCN1Cc1ccccc1 ZINC000090525877 1410064185 /nfs/dbraw/zinc/06/41/85/1410064185.db2.gz FFXRWDDCGWFWEC-CDIGIKMISA-N 1 3 385.596 3.397 20 0 GGADHO COCc1cc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)ccc1OC ZINC000090525202 1410064356 /nfs/dbraw/zinc/06/43/56/1410064356.db2.gz CMEBJXYCSUCIHD-HBGVWJBISA-N 1 3 376.541 3.260 20 0 GGADHO COc1cc(C)c([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090526332 1410064980 /nfs/dbraw/zinc/06/49/80/1410064980.db2.gz FBNLTXAIYNSYTF-UXPWSPDFSA-N 1 3 376.541 3.431 20 0 GGADHO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000090526746 1410065228 /nfs/dbraw/zinc/06/52/28/1410065228.db2.gz QFQSKYLHVJGUDZ-WBAXXEDZSA-N 1 3 381.586 3.059 20 0 GGADHO Cc1ccc(NC(=O)C2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)nc1 ZINC000091687048 1410075725 /nfs/dbraw/zinc/07/57/25/1410075725.db2.gz LSJIKUIQOVHBBV-UHFFFAOYSA-N 1 3 396.535 3.181 20 0 GGADHO O=C(CC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1)N1CCCC1 ZINC000092057197 1410102943 /nfs/dbraw/zinc/10/29/43/1410102943.db2.gz MEDFCEBWBMEEPE-UHFFFAOYSA-N 1 3 399.579 3.386 20 0 GGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000092426281 1410157002 /nfs/dbraw/zinc/15/70/02/1410157002.db2.gz IERUNGLPHJSNSE-UHFFFAOYSA-N 1 3 389.515 3.488 20 0 GGADHO C[NH+](C)CCOc1ccc(CN2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000092513089 1410165582 /nfs/dbraw/zinc/16/55/82/1410165582.db2.gz JMCOQSBYZMHCBM-LJQANCHMSA-N 1 3 391.556 3.364 20 0 GGADHO CCOc1ccc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000092587545 1410176686 /nfs/dbraw/zinc/17/66/86/1410176686.db2.gz MOECTDQLYZLDDQ-ROUUACIJSA-N 1 3 376.541 3.415 20 0 GGADHO COCCCOc1cccc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000092587588 1410176938 /nfs/dbraw/zinc/17/69/38/1410176938.db2.gz FNJTYFHDZMGKAJ-WOJBJXKFSA-N 1 3 390.568 3.423 20 0 GGADHO COCCCOc1cccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000092587588 1410176948 /nfs/dbraw/zinc/17/69/48/1410176948.db2.gz FNJTYFHDZMGKAJ-WOJBJXKFSA-N 1 3 390.568 3.423 20 0 GGADHO CCOc1ccc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000092587543 1410177375 /nfs/dbraw/zinc/17/73/75/1410177375.db2.gz MOECTDQLYZLDDQ-HDICACEKSA-N 1 3 376.541 3.415 20 0 GGADHO CCOc1ccc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000092587543 1410177383 /nfs/dbraw/zinc/17/73/83/1410177383.db2.gz MOECTDQLYZLDDQ-HDICACEKSA-N 1 3 376.541 3.415 20 0 GGADHO Cc1ccccc1CNC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821330 1410203873 /nfs/dbraw/zinc/20/38/73/1410203873.db2.gz LHUUUPUFYUBJES-UHFFFAOYSA-N 1 3 380.536 3.245 20 0 GGADHO C[C@@H](NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000092821463 1410204025 /nfs/dbraw/zinc/20/40/25/1410204025.db2.gz HLKHIQWABABLPX-LJQANCHMSA-N 1 3 380.536 3.497 20 0 GGADHO C[C@H](NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000092821462 1410204517 /nfs/dbraw/zinc/20/45/17/1410204517.db2.gz HLKHIQWABABLPX-IBGZPJMESA-N 1 3 380.536 3.497 20 0 GGADHO CN(CCC(=O)OC(C)(C)C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093686676 1410260327 /nfs/dbraw/zinc/26/03/27/1410260327.db2.gz CRHJGSRQLGCNKS-UHFFFAOYSA-N 1 3 375.557 3.381 20 0 GGADHO COc1ccc(-c2n[nH]cc2CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735194 1410261971 /nfs/dbraw/zinc/26/19/71/1410261971.db2.gz LUSKPEOVSKZHMV-UHFFFAOYSA-N 1 3 384.524 3.162 20 0 GGADHO COc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1OC(F)F ZINC000093735058 1410262157 /nfs/dbraw/zinc/26/21/57/1410262157.db2.gz XTSKKJYSZHSUMP-UHFFFAOYSA-N 1 3 384.467 3.373 20 0 GGADHO CN(c1ccccc1CN1CCC(N2CCCCC2=O)CC1)C1CC[NH+](C)CC1 ZINC000093741669 1410262563 /nfs/dbraw/zinc/26/25/63/1410262563.db2.gz TXHKTYKCDWCTEM-UHFFFAOYSA-N 1 3 398.595 3.194 20 0 GGADHO CCc1nn(C)c(CC)c1C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000093844495 1410274604 /nfs/dbraw/zinc/27/46/04/1410274604.db2.gz KCRNICMDOWDHLT-ROUUACIJSA-N 1 3 376.589 3.256 20 0 GGADHO COc1ccc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000093844370 1410274626 /nfs/dbraw/zinc/27/46/26/1410274626.db2.gz SFGFWESNXLPDJP-HDICACEKSA-N 1 3 376.541 3.415 20 0 GGADHO COc1ccc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000093844370 1410274631 /nfs/dbraw/zinc/27/46/31/1410274631.db2.gz SFGFWESNXLPDJP-HDICACEKSA-N 1 3 376.541 3.415 20 0 GGADHO COc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000093844370 1410274634 /nfs/dbraw/zinc/27/46/34/1410274634.db2.gz SFGFWESNXLPDJP-HDICACEKSA-N 1 3 376.541 3.415 20 0 GGADHO COc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000097357166 1410366310 /nfs/dbraw/zinc/36/63/10/1410366310.db2.gz RCHJRBHKETWSBC-GHTZIAJQSA-N 1 3 388.556 3.006 20 0 GGADHO CCOc1cccc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000102008733 1410543126 /nfs/dbraw/zinc/54/31/26/1410543126.db2.gz DSKMXOCBSPGRIB-KRWDZBQOSA-N 1 3 388.556 3.004 20 0 GGADHO CCN(Cc1c(F)cccc1F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000102013554 1410543491 /nfs/dbraw/zinc/54/34/91/1410543491.db2.gz XDGIJHFQQPWRHL-UHFFFAOYSA-N 1 3 394.510 3.055 20 0 GGADHO CCN1CCN(CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000102422171 1410624879 /nfs/dbraw/zinc/62/48/79/1410624879.db2.gz MNUTWZKAQKDARD-UHFFFAOYSA-N 1 3 384.351 3.386 20 0 GGADHO CCN1CCCC[C@H]1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176848639 1428499649 /nfs/dbraw/zinc/49/96/49/1428499649.db2.gz NQQUOHDYKFKVIF-QFIPXVFZSA-N 1 3 387.568 3.048 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC4(CCCCC4)CC3)CC2)CC1 ZINC000102564176 1410650898 /nfs/dbraw/zinc/65/08/98/1410650898.db2.gz YIYGSLJRWNHDMZ-UHFFFAOYSA-N 1 3 376.589 3.301 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCC(C)CC2)c(OC)c1 ZINC000102559530 1410651081 /nfs/dbraw/zinc/65/10/81/1410651081.db2.gz IGJHRHXQDRFTHI-QGZVFWFLSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NCCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC000102559530 1410651119 /nfs/dbraw/zinc/65/11/19/1410651119.db2.gz IGJHRHXQDRFTHI-QGZVFWFLSA-N 1 3 377.529 3.133 20 0 GGADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000103143172 1410831509 /nfs/dbraw/zinc/83/15/09/1410831509.db2.gz OCLLCVXJDRZUPL-UHFFFAOYSA-N 1 3 391.515 3.127 20 0 GGADHO C[N@H+](Cc1ccccc1)CC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000103143172 1410831510 /nfs/dbraw/zinc/83/15/10/1410831510.db2.gz OCLLCVXJDRZUPL-UHFFFAOYSA-N 1 3 391.515 3.127 20 0 GGADHO C[NH+]1CCC(CCNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000103291053 1410843330 /nfs/dbraw/zinc/84/33/30/1410843330.db2.gz WTEDJUSMTCDEQL-UHFFFAOYSA-N 1 3 390.597 3.131 20 0 GGADHO c1c(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)nc2ccccn12 ZINC000176984048 1428541039 /nfs/dbraw/zinc/54/10/39/1428541039.db2.gz IBGTVUNYOCLKJL-UHFFFAOYSA-N 1 3 378.520 3.495 20 0 GGADHO Cc1nc(C)c([C@H](C)N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000106551029 1411243584 /nfs/dbraw/zinc/24/35/84/1411243584.db2.gz OKZRNYOVWSPXEY-HNNXBMFYSA-N 1 3 393.601 3.021 20 0 GGADHO CN(C)[C@@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)c1ccccc1 ZINC000107386462 1411369546 /nfs/dbraw/zinc/36/95/46/1411369546.db2.gz NSTMAQRYBOSNHL-NRFANRHFSA-N 1 3 384.524 3.442 20 0 GGADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc(C)c1OC(F)F ZINC000107578697 1411389166 /nfs/dbraw/zinc/38/91/66/1411389166.db2.gz PVBVUEQLDMMOLM-UHFFFAOYSA-N 1 3 395.494 3.193 20 0 GGADHO CC1CC[NH+](CCCNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000108414305 1411494786 /nfs/dbraw/zinc/49/47/86/1411494786.db2.gz RKSDPZLZTOOGRG-UHFFFAOYSA-N 1 3 378.536 3.021 20 0 GGADHO C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)C[NH+]1CCCCC1 ZINC000108484863 1411517252 /nfs/dbraw/zinc/51/72/52/1411517252.db2.gz UNIFRGXXGNPGGL-ZWKOTPCHSA-N 1 3 378.586 3.306 20 0 GGADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000108541056 1411533337 /nfs/dbraw/zinc/53/33/37/1411533337.db2.gz UYVUXMLQNIJLIP-MSOLQXFVSA-N 1 3 378.586 3.162 20 0 GGADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000108541056 1411533343 /nfs/dbraw/zinc/53/33/43/1411533343.db2.gz UYVUXMLQNIJLIP-MSOLQXFVSA-N 1 3 378.586 3.162 20 0 GGADHO C[N@H+](CCNC(=O)N1CCCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000108811125 1411619828 /nfs/dbraw/zinc/61/98/28/1411619828.db2.gz BGYPLPRTHWRQHI-UHFFFAOYSA-N 1 3 380.536 3.036 20 0 GGADHO C[N@@H+](CCNC(=O)N1CCCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000108811125 1411619853 /nfs/dbraw/zinc/61/98/53/1411619853.db2.gz BGYPLPRTHWRQHI-UHFFFAOYSA-N 1 3 380.536 3.036 20 0 GGADHO CN(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000109339901 1411744686 /nfs/dbraw/zinc/74/46/86/1411744686.db2.gz MUOVOAQYHMHEFD-IRLDBZIGSA-N 1 3 383.511 3.457 20 0 GGADHO CN(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000109339901 1411744692 /nfs/dbraw/zinc/74/46/92/1411744692.db2.gz MUOVOAQYHMHEFD-IRLDBZIGSA-N 1 3 383.511 3.457 20 0 GGADHO C[NH+](C)Cc1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000110210913 1411837926 /nfs/dbraw/zinc/83/79/26/1411837926.db2.gz WRLWBVDGZVVFTP-UHFFFAOYSA-N 1 3 380.536 3.289 20 0 GGADHO CCC[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000110480826 1411852287 /nfs/dbraw/zinc/85/22/87/1411852287.db2.gz UJIIZNDEWJGHLX-FQEVSTJZSA-N 1 3 397.485 3.432 20 0 GGADHO CC[C@H](Sc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000110674668 1411863429 /nfs/dbraw/zinc/86/34/29/1411863429.db2.gz SABILLHYAVIHMF-FQEVSTJZSA-N 1 3 375.582 3.232 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC4(CCCCC4)C3)CC2)CC1 ZINC000111846463 1412037323 /nfs/dbraw/zinc/03/73/23/1412037323.db2.gz AWMYPSVIDABXEM-UHFFFAOYSA-N 1 3 376.589 3.301 20 0 GGADHO COc1ccc(CN(C)C/C=C/C[N@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000177219572 1428637764 /nfs/dbraw/zinc/63/77/64/1428637764.db2.gz ZINHTPJTHKVYDE-AATRIKPKSA-N 1 3 386.492 3.235 20 0 GGADHO COc1ccc(CN(C)C/C=C/C[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000177219572 1428637768 /nfs/dbraw/zinc/63/77/68/1428637768.db2.gz ZINHTPJTHKVYDE-AATRIKPKSA-N 1 3 386.492 3.235 20 0 GGADHO Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@H](CN(C)C)C2)c2ccccc2)cc1 ZINC000113515345 1412310944 /nfs/dbraw/zinc/31/09/44/1412310944.db2.gz WIFRYPABMYXVDI-AGILITTLSA-N 1 3 382.548 3.345 20 0 GGADHO Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CC[C@H](CN(C)C)C2)c2ccccc2)cc1 ZINC000113515345 1412310948 /nfs/dbraw/zinc/31/09/48/1412310948.db2.gz WIFRYPABMYXVDI-AGILITTLSA-N 1 3 382.548 3.345 20 0 GGADHO CCCC[N@H+](C)CC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000114475635 1412441045 /nfs/dbraw/zinc/44/10/45/1412441045.db2.gz ITBPADOHYTXHMF-UHFFFAOYSA-N 1 3 396.579 3.497 20 0 GGADHO CCCC[N@@H+](C)CC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000114475635 1412441051 /nfs/dbraw/zinc/44/10/51/1412441051.db2.gz ITBPADOHYTXHMF-UHFFFAOYSA-N 1 3 396.579 3.497 20 0 GGADHO CC[C@H]1c2ccccc2CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000114593132 1412470171 /nfs/dbraw/zinc/47/01/71/1412470171.db2.gz AVAPNLFPBQKFNV-QFIPXVFZSA-N 1 3 384.568 3.264 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000115806802 1412794616 /nfs/dbraw/zinc/79/46/16/1412794616.db2.gz PEIYDXJBFUYBPF-IRLDBZIGSA-N 1 3 386.584 3.443 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000115806802 1412794623 /nfs/dbraw/zinc/79/46/23/1412794623.db2.gz PEIYDXJBFUYBPF-IRLDBZIGSA-N 1 3 386.584 3.443 20 0 GGADHO COc1cccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000177318286 1428685618 /nfs/dbraw/zinc/68/56/18/1428685618.db2.gz ZISMVNXFCKHMOM-UWJYYQICSA-N 1 3 381.520 3.243 20 0 GGADHO COc1cccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000177318286 1428685622 /nfs/dbraw/zinc/68/56/22/1428685622.db2.gz ZISMVNXFCKHMOM-UWJYYQICSA-N 1 3 381.520 3.243 20 0 GGADHO CC[NH+]1CCC(NC(=O)CN(CCc2ccc(Cl)cc2)CC2CC2)CC1 ZINC000116995035 1412974143 /nfs/dbraw/zinc/97/41/43/1412974143.db2.gz ZUGNCAZYPVLYPU-UHFFFAOYSA-N 1 3 377.960 3.195 20 0 GGADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000118545916 1413173896 /nfs/dbraw/zinc/17/38/96/1413173896.db2.gz KTIXAIUVFONJMR-UHFFFAOYSA-N 1 3 388.556 3.499 20 0 GGADHO O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000118756778 1413215671 /nfs/dbraw/zinc/21/56/71/1413215671.db2.gz UUXGUUUVLYMEAZ-SFHVURJKSA-N 1 3 391.581 3.036 20 0 GGADHO O=C(CC1(N2CCOCC2)CCCC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000118759588 1413216439 /nfs/dbraw/zinc/21/64/39/1413216439.db2.gz HXZFDOUMEDCYLF-UHFFFAOYSA-N 1 3 399.579 3.324 20 0 GGADHO CCOC(=O)c1oc2ccccc2c1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379029 1428710793 /nfs/dbraw/zinc/71/07/93/1428710793.db2.gz MCOWAIWEGFTQSR-UHFFFAOYSA-N 1 3 387.524 3.067 20 0 GGADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000119270229 1413395017 /nfs/dbraw/zinc/39/50/17/1413395017.db2.gz YQXTYCDIHKOIFC-HXUWFJFHSA-N 1 3 399.510 3.082 20 0 GGADHO COc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)N2CCCCC2)cc1 ZINC000119424128 1413442784 /nfs/dbraw/zinc/44/27/84/1413442784.db2.gz ZDPIYJXBQXIXBA-YADHBBJMSA-N 1 3 381.520 3.429 20 0 GGADHO COc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)N2CCCCC2)cc1 ZINC000119423947 1413442988 /nfs/dbraw/zinc/44/29/88/1413442988.db2.gz ZDPIYJXBQXIXBA-FGZHOGPDSA-N 1 3 381.520 3.429 20 0 GGADHO Clc1ccc([C@@H](C[NH2+]C2CCN(CC3CC3)CC2)N2CCOCC2)cc1 ZINC000119785159 1413568120 /nfs/dbraw/zinc/56/81/20/1413568120.db2.gz RAAPFFJQYMNGDN-OAQYLSRUSA-N 1 3 377.960 3.177 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000120024258 1413657812 /nfs/dbraw/zinc/65/78/12/1413657812.db2.gz HUEQEIJAEIFWOR-CQSZACIVSA-N 1 3 377.529 3.320 20 0 GGADHO C[C@@H]1OCC[C@H]1[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000120122497 1413696499 /nfs/dbraw/zinc/69/64/99/1413696499.db2.gz QYHXCVLWHDOWJB-QFBILLFUSA-N 1 3 385.474 3.375 20 0 GGADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000120173746 1413717807 /nfs/dbraw/zinc/71/78/07/1413717807.db2.gz ULUWYTOWLIAZCG-HNNXBMFYSA-N 1 3 379.495 3.133 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(CCC(F)(F)F)cc3)CC2)CC1 ZINC000120175539 1413718691 /nfs/dbraw/zinc/71/86/91/1413718691.db2.gz QWAMQEQANUHILT-UHFFFAOYSA-N 1 3 397.485 3.470 20 0 GGADHO CC(C)c1ccccc1OCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120177876 1413719417 /nfs/dbraw/zinc/71/94/17/1413719417.db2.gz ZMTDMMOUSGTQBY-UHFFFAOYSA-N 1 3 387.568 3.254 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3CC(F)(F)F)CC2)CC1 ZINC000120205634 1413730722 /nfs/dbraw/zinc/73/07/22/1413730722.db2.gz SEROXRAPBZKUPU-UHFFFAOYSA-N 1 3 398.473 3.472 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3OCC(F)F)CC2)CC1 ZINC000120294626 1413772044 /nfs/dbraw/zinc/77/20/44/1413772044.db2.gz JZGDGGCSBYEDAE-UHFFFAOYSA-N 1 3 396.482 3.011 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000177487867 1428764176 /nfs/dbraw/zinc/76/41/76/1428764176.db2.gz CSNOEECKCQBFTD-HDICACEKSA-N 1 3 391.531 3.366 20 0 GGADHO C[C@H]1C[NH+](CCC2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)C[C@H](C)O1 ZINC000177495614 1428768829 /nfs/dbraw/zinc/76/88/29/1428768829.db2.gz LFVSGUXGLDKNLE-OALUTQOASA-N 1 3 387.568 3.100 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C[C@@H](C)O1 ZINC000177501136 1428771450 /nfs/dbraw/zinc/77/14/50/1428771450.db2.gz VYBMLSJZKHIJOX-QZTJIDSGSA-N 1 3 383.536 3.239 20 0 GGADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)C[C@H](C)O1 ZINC000177502024 1428771881 /nfs/dbraw/zinc/77/18/81/1428771881.db2.gz KDIJNHDUHWLNCM-PMACEKPBSA-N 1 3 399.579 3.177 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)C[C@H](C)O1 ZINC000177502010 1428772083 /nfs/dbraw/zinc/77/20/83/1428772083.db2.gz KDIJNHDUHWLNCM-BGYRXZFFSA-N 1 3 399.579 3.177 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000121091535 1414004869 /nfs/dbraw/zinc/00/48/69/1414004869.db2.gz LLRNQMWGUZHOLI-OAHLLOKOSA-N 1 3 377.529 3.273 20 0 GGADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)C[C@H](C)O1 ZINC000177508516 1428775380 /nfs/dbraw/zinc/77/53/80/1428775380.db2.gz DRCNFVWLRQHSQA-ROUUACIJSA-N 1 3 391.531 3.366 20 0 GGADHO CNC(=O)c1ccc(CN(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000121182964 1414036499 /nfs/dbraw/zinc/03/64/99/1414036499.db2.gz OAZIEJLEOMDTOZ-UHFFFAOYSA-N 1 3 381.520 3.153 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000121185396 1414036940 /nfs/dbraw/zinc/03/69/40/1414036940.db2.gz JBPLWEWCURIYQC-UHFFFAOYSA-N 1 3 398.551 3.408 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000121185396 1414036948 /nfs/dbraw/zinc/03/69/48/1414036948.db2.gz JBPLWEWCURIYQC-UHFFFAOYSA-N 1 3 398.551 3.408 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000121352311 1414092091 /nfs/dbraw/zinc/09/20/91/1414092091.db2.gz RPMUDZQXNMLXFR-HZPDHXFCSA-N 1 3 383.964 3.281 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000121352144 1414092118 /nfs/dbraw/zinc/09/21/18/1414092118.db2.gz RPMUDZQXNMLXFR-JKSUJKDBSA-N 1 3 383.964 3.281 20 0 GGADHO COc1cccc(CNC(=O)[C@@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121806332 1414263766 /nfs/dbraw/zinc/26/37/66/1414263766.db2.gz IEIMGQRAFFWGMN-LJQANCHMSA-N 1 3 387.568 3.288 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(-c4ccccc4)on3)CC2)CC1 ZINC000122096805 1414362474 /nfs/dbraw/zinc/36/24/74/1414362474.db2.gz QKINSEWAYGNZIH-UHFFFAOYSA-N 1 3 383.496 3.022 20 0 GGADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122253451 1414402142 /nfs/dbraw/zinc/40/21/42/1414402142.db2.gz PXZFTFXGSICZHR-QZTJIDSGSA-N 1 3 377.529 3.162 20 0 GGADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1ccccc1OCC[NH+](C)C ZINC000122276037 1414408509 /nfs/dbraw/zinc/40/85/09/1414408509.db2.gz IHLUWCWPWAWPEU-HNNXBMFYSA-N 1 3 390.915 3.182 20 0 GGADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000122358834 1414433685 /nfs/dbraw/zinc/43/36/85/1414433685.db2.gz HFFNGQWVGQBPJH-RDPSFJRHSA-N 1 3 397.563 3.006 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccco2)N2CCCC2)cc1 ZINC000122850536 1414580257 /nfs/dbraw/zinc/58/02/57/1414580257.db2.gz WPGQLJKICNMZMK-JOCHJYFZSA-N 1 3 398.551 3.498 20 0 GGADHO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000122923513 1414598380 /nfs/dbraw/zinc/59/83/80/1414598380.db2.gz UYEHFISFWXFKAE-FXAWDEMLSA-N 1 3 395.588 3.398 20 0 GGADHO C[C@@H](CS(=O)(=O)c1ccccc1)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000123155444 1414655899 /nfs/dbraw/zinc/65/58/99/1414655899.db2.gz MZAMXFLZUYTAQW-HDYDNRTBSA-N 1 3 378.582 3.482 20 0 GGADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000123190214 1414664453 /nfs/dbraw/zinc/66/44/53/1414664453.db2.gz HUWSYMKMYSXKPZ-JOCHJYFZSA-N 1 3 380.536 3.212 20 0 GGADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000123633895 1414801217 /nfs/dbraw/zinc/80/12/17/1414801217.db2.gz FOSXUHVDPRLLHJ-QGZVFWFLSA-N 1 3 387.549 3.139 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000123834267 1414831966 /nfs/dbraw/zinc/83/19/66/1414831966.db2.gz YCPNHNYCVPBRML-GGAORHGYSA-N 1 3 396.579 3.093 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000123834267 1414831967 /nfs/dbraw/zinc/83/19/67/1414831967.db2.gz YCPNHNYCVPBRML-GGAORHGYSA-N 1 3 396.579 3.093 20 0 GGADHO CC[NH2+]Cc1cccc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1 ZINC000123835539 1414832060 /nfs/dbraw/zinc/83/20/60/1414832060.db2.gz KEOWDNKZIJLBOZ-UHFFFAOYSA-N 1 3 380.536 3.255 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000123854265 1414835632 /nfs/dbraw/zinc/83/56/32/1414835632.db2.gz OODUEHOJCXMDIL-UHFFFAOYSA-N 1 3 395.425 3.166 20 0 GGADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000123940795 1414853700 /nfs/dbraw/zinc/85/37/00/1414853700.db2.gz JJTKFJSRXOWWPR-MRXNPFEDSA-N 1 3 375.538 3.361 20 0 GGADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000123940795 1414853702 /nfs/dbraw/zinc/85/37/02/1414853702.db2.gz JJTKFJSRXOWWPR-MRXNPFEDSA-N 1 3 375.538 3.361 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccc(Cl)cc4)CC3)CC2)CC1 ZINC000124380282 1414953073 /nfs/dbraw/zinc/95/30/73/1414953073.db2.gz OCFXXNIDIPCSOY-UHFFFAOYSA-N 1 3 375.944 3.046 20 0 GGADHO C[C@@H]1CCc2c(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)csc2C1 ZINC000124382538 1414953548 /nfs/dbraw/zinc/95/35/48/1414953548.db2.gz QMUTYPWWRBHBEV-OAHLLOKOSA-N 1 3 375.582 3.161 20 0 GGADHO CN(C)CCN(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000124509557 1414984162 /nfs/dbraw/zinc/98/41/62/1414984162.db2.gz POVRNDNDWKDZKW-NRFANRHFSA-N 1 3 386.584 3.067 20 0 GGADHO CN(C)CCN(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000124509557 1414984177 /nfs/dbraw/zinc/98/41/77/1414984177.db2.gz POVRNDNDWKDZKW-NRFANRHFSA-N 1 3 386.584 3.067 20 0 GGADHO C[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000125189162 1415127216 /nfs/dbraw/zinc/12/72/16/1415127216.db2.gz IYWJTEVHUUMWLZ-MRXNPFEDSA-N 1 3 377.960 3.193 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000125672580 1415251373 /nfs/dbraw/zinc/25/13/73/1415251373.db2.gz FTHAOPYGOMINME-OFNKIYASSA-N 1 3 398.595 3.256 20 0 GGADHO C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000125718742 1415261729 /nfs/dbraw/zinc/26/17/29/1415261729.db2.gz VWIAFBFLERIMOY-KRWDZBQOSA-N 1 3 390.549 3.022 20 0 GGADHO CCCOc1c(C[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)cccc1OCC ZINC000126056310 1415346724 /nfs/dbraw/zinc/34/67/24/1415346724.db2.gz UMCAPIAANZEEOU-UHFFFAOYSA-N 1 3 398.551 3.311 20 0 GGADHO Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000126305387 1415412966 /nfs/dbraw/zinc/41/29/66/1415412966.db2.gz LHPSPELWFKMUPM-QGZVFWFLSA-N 1 3 379.508 3.367 20 0 GGADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cc(F)ccc1F ZINC000126622361 1415509677 /nfs/dbraw/zinc/50/96/77/1415509677.db2.gz CSZHBUOFPGAZHB-HXUWFJFHSA-N 1 3 394.510 3.274 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000126669118 1415522124 /nfs/dbraw/zinc/52/21/24/1415522124.db2.gz TWGCMZXEQGVCBI-UHFFFAOYSA-N 1 3 376.545 3.150 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000126705472 1415531878 /nfs/dbraw/zinc/53/18/78/1415531878.db2.gz XJKSLARIMMJHSQ-SFHVURJKSA-N 1 3 381.520 3.056 20 0 GGADHO CN1CCN(Cc2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000126709093 1415534192 /nfs/dbraw/zinc/53/41/92/1415534192.db2.gz DCSWLFJMNKNNBO-UHFFFAOYSA-N 1 3 378.564 3.193 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000126717231 1415537251 /nfs/dbraw/zinc/53/72/51/1415537251.db2.gz HWCVEUNVUYKKOS-HXUWFJFHSA-N 1 3 389.547 3.471 20 0 GGADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000178036340 1428948710 /nfs/dbraw/zinc/94/87/10/1428948710.db2.gz ZHCFGTWBLAMLJG-SLFFLAALSA-N 1 3 375.557 3.500 20 0 GGADHO COc1cc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000178036169 1428948929 /nfs/dbraw/zinc/94/89/29/1428948929.db2.gz OYSQPOJWUVQUHL-ULQDDVLXSA-N 1 3 380.529 3.252 20 0 GGADHO COc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC ZINC000178036182 1428948836 /nfs/dbraw/zinc/94/88/36/1428948836.db2.gz OYSQPOJWUVQUHL-ZACQAIPSSA-N 1 3 380.529 3.252 20 0 GGADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cccs2)CC1 ZINC000126775606 1415555781 /nfs/dbraw/zinc/55/57/81/1415555781.db2.gz QSHGJCBEVXYOGH-PKOBYXMFSA-N 1 3 390.597 3.305 20 0 GGADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2cccs2)CC1 ZINC000126775606 1415555784 /nfs/dbraw/zinc/55/57/84/1415555784.db2.gz QSHGJCBEVXYOGH-PKOBYXMFSA-N 1 3 390.597 3.305 20 0 GGADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178037000 1428949525 /nfs/dbraw/zinc/94/95/25/1428949525.db2.gz YDUPXLACUVUTEW-GUDVDZBRSA-N 1 3 375.557 3.445 20 0 GGADHO Cc1c([C@H](C)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(F)cc1 ZINC000178038170 1428950166 /nfs/dbraw/zinc/95/01/66/1428950166.db2.gz POKQFIFQBWGTFB-BBWFWOEESA-N 1 3 389.519 3.255 20 0 GGADHO Cc1c([C@H](C)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(F)cc1 ZINC000178038170 1428950167 /nfs/dbraw/zinc/95/01/67/1428950167.db2.gz POKQFIFQBWGTFB-BBWFWOEESA-N 1 3 389.519 3.255 20 0 GGADHO Cc1c([C@H](C)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nnn1-c1ccc(F)cc1 ZINC000178038193 1428950173 /nfs/dbraw/zinc/95/01/73/1428950173.db2.gz POKQFIFQBWGTFB-ZACQAIPSSA-N 1 3 389.519 3.255 20 0 GGADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000127113536 1415663461 /nfs/dbraw/zinc/66/34/61/1415663461.db2.gz HBMQCGFXIIGVSV-IBGZPJMESA-N 1 3 386.565 3.446 20 0 GGADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000127113775 1415663812 /nfs/dbraw/zinc/66/38/12/1415663812.db2.gz HBMQCGFXIIGVSV-LJQANCHMSA-N 1 3 386.565 3.446 20 0 GGADHO CCC[NH+]1CCC(N[C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)CC1 ZINC000127229344 1415695496 /nfs/dbraw/zinc/69/54/96/1415695496.db2.gz MXXWHLOPPQMOKR-GOSISDBHSA-N 1 3 376.564 3.493 20 0 GGADHO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000127360355 1415751991 /nfs/dbraw/zinc/75/19/91/1415751991.db2.gz QMPBBVMKVIQTHL-HXUWFJFHSA-N 1 3 384.524 3.029 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000127469546 1415792041 /nfs/dbraw/zinc/79/20/41/1415792041.db2.gz CENFOVNIRLFBPW-UHFFFAOYSA-N 1 3 384.446 3.386 20 0 GGADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127480595 1415796574 /nfs/dbraw/zinc/79/65/74/1415796574.db2.gz OIGFNUPNAYQOPR-OAHLLOKOSA-N 1 3 394.510 3.226 20 0 GGADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000127484881 1415798561 /nfs/dbraw/zinc/79/85/61/1415798561.db2.gz VZHSQWBKMPSFOF-OAQYLSRUSA-N 1 3 388.556 3.004 20 0 GGADHO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000127572474 1415811936 /nfs/dbraw/zinc/81/19/36/1415811936.db2.gz PRFOFBZDVNZBJZ-NZQKXSOJSA-N 1 3 383.580 3.274 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC/C=C/c3ccc(F)cc3)c2)C1 ZINC000127821323 1415857081 /nfs/dbraw/zinc/85/70/81/1415857081.db2.gz NZDXSAIOMSXZMQ-FNLFUECCSA-N 1 3 381.495 3.326 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC/C=C/c3ccc(F)cc3)c2)C1 ZINC000127821323 1415857086 /nfs/dbraw/zinc/85/70/86/1415857086.db2.gz NZDXSAIOMSXZMQ-FNLFUECCSA-N 1 3 381.495 3.326 20 0 GGADHO COc1cccc(C[C@@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)c1 ZINC000128004541 1415891700 /nfs/dbraw/zinc/89/17/00/1415891700.db2.gz TUCYACJQBLFYDI-JTHBVZDNSA-N 1 3 395.547 3.156 20 0 GGADHO COc1cccc(C[C@@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)c1 ZINC000128004541 1415891701 /nfs/dbraw/zinc/89/17/01/1415891701.db2.gz TUCYACJQBLFYDI-JTHBVZDNSA-N 1 3 395.547 3.156 20 0 GGADHO Cc1nc(-c2cc([C@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)cs2)cs1 ZINC000128060539 1415903241 /nfs/dbraw/zinc/90/32/41/1415903241.db2.gz BTKGRRPGGFDPTJ-ZFWWWQNUSA-N 1 3 392.594 3.418 20 0 GGADHO Cc1nc(-c2cc([C@@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)cs2)cs1 ZINC000128060299 1415903256 /nfs/dbraw/zinc/90/32/56/1415903256.db2.gz BTKGRRPGGFDPTJ-HIFRSBDPSA-N 1 3 392.594 3.418 20 0 GGADHO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000128140738 1415922771 /nfs/dbraw/zinc/92/27/71/1415922771.db2.gz MQXKQLFEANYXEP-QAPCUYQASA-N 1 3 386.565 3.357 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cccc(-c3ccccn3)c2)cc1 ZINC000128218017 1415942415 /nfs/dbraw/zinc/94/24/15/1415942415.db2.gz HUDLXVBXVQUWAS-UHFFFAOYSA-N 1 3 388.515 3.330 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000128292992 1415956012 /nfs/dbraw/zinc/95/60/12/1415956012.db2.gz OWKCSKXGFSJOMI-WENLIBGGSA-N 1 3 396.579 3.165 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000128292992 1415956015 /nfs/dbraw/zinc/95/60/15/1415956015.db2.gz OWKCSKXGFSJOMI-WENLIBGGSA-N 1 3 396.579 3.165 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC000128661936 1416036261 /nfs/dbraw/zinc/03/62/61/1416036261.db2.gz AMBKKDPQGFCYPX-QFBILLFUSA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC000128662385 1416036606 /nfs/dbraw/zinc/03/66/06/1416036606.db2.gz AMBKKDPQGFCYPX-VQIMIIECSA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000128664213 1416037107 /nfs/dbraw/zinc/03/71/07/1416037107.db2.gz SMHPKZGNHDWJHU-VQIMIIECSA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000128663945 1416037204 /nfs/dbraw/zinc/03/72/04/1416037204.db2.gz SMHPKZGNHDWJHU-LPHOPBHVSA-N 1 3 377.529 3.131 20 0 GGADHO Cc1nn(-c2ccc(F)cc2)c(Cl)c1CNC1CCN(CC[NH+](C)C)CC1 ZINC000128780148 1416066845 /nfs/dbraw/zinc/06/68/45/1416066845.db2.gz IMAJUAJGXSPINO-UHFFFAOYSA-N 1 3 393.938 3.089 20 0 GGADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000178409596 1429072295 /nfs/dbraw/zinc/07/22/95/1429072295.db2.gz FKHUHKQYPZDTRL-GOSISDBHSA-N 1 3 381.586 3.244 20 0 GGADHO CC1CCN([C@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)c2cccs2)CC1 ZINC000129318601 1416190539 /nfs/dbraw/zinc/19/05/39/1416190539.db2.gz YRURMVKNXMEKCX-QZTJIDSGSA-N 1 3 378.586 3.114 20 0 GGADHO C[C@@H]1CC[N@@H+](C/C=C/CN2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129594836 1416234477 /nfs/dbraw/zinc/23/44/77/1416234477.db2.gz QRTZKENKHXEOIW-NDNTWHODSA-N 1 3 382.556 3.102 20 0 GGADHO C[C@@H]1CC[N@H+](C/C=C/CN2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129594836 1416234481 /nfs/dbraw/zinc/23/44/81/1416234481.db2.gz QRTZKENKHXEOIW-NDNTWHODSA-N 1 3 382.556 3.102 20 0 GGADHO C[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129594836 1416234485 /nfs/dbraw/zinc/23/44/85/1416234485.db2.gz QRTZKENKHXEOIW-NDNTWHODSA-N 1 3 382.556 3.102 20 0 GGADHO C[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129594836 1416234491 /nfs/dbraw/zinc/23/44/91/1416234491.db2.gz QRTZKENKHXEOIW-NDNTWHODSA-N 1 3 382.556 3.102 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCc3ccc(Cl)cc3)CC2)CC1 ZINC000129830135 1416270308 /nfs/dbraw/zinc/27/03/08/1416270308.db2.gz RICGNAPWKSNGMX-UHFFFAOYSA-N 1 3 392.975 3.130 20 0 GGADHO Cc1cccc(N2CC[NH+](CCCCNCc3c(Cl)cnn3C)CC2)c1 ZINC000130391509 1416369984 /nfs/dbraw/zinc/36/99/84/1416369984.db2.gz UYZPNOLMTALRMD-UHFFFAOYSA-N 1 3 375.948 3.074 20 0 GGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000130651018 1416417321 /nfs/dbraw/zinc/41/73/21/1416417321.db2.gz AGJFEUWKMFHRJA-HXUWFJFHSA-N 1 3 392.563 3.267 20 0 GGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000130651018 1416417323 /nfs/dbraw/zinc/41/73/23/1416417323.db2.gz AGJFEUWKMFHRJA-HXUWFJFHSA-N 1 3 392.563 3.267 20 0 GGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCSc2ccccc2F)CC1 ZINC000130662865 1416419894 /nfs/dbraw/zinc/41/98/94/1416419894.db2.gz ZXDBPOJSPDUXIC-UHFFFAOYSA-N 1 3 395.588 3.334 20 0 GGADHO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000130700604 1416428177 /nfs/dbraw/zinc/42/81/77/1416428177.db2.gz FLOPVKBYYOCGMW-GOSISDBHSA-N 1 3 390.597 3.274 20 0 GGADHO COc1ccccc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000130908029 1416479517 /nfs/dbraw/zinc/47/95/17/1416479517.db2.gz KTBQOKVBEFPSCZ-UHFFFAOYSA-N 1 3 395.547 3.155 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000131750622 1416611576 /nfs/dbraw/zinc/61/15/76/1416611576.db2.gz HQMUZSATZDJGQL-GOSISDBHSA-N 1 3 395.551 3.168 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000132051305 1416682800 /nfs/dbraw/zinc/68/28/00/1416682800.db2.gz ZKGLBHSHDBVBTK-KRWDZBQOSA-N 1 3 387.572 3.169 20 0 GGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1Cl ZINC000132136892 1416705375 /nfs/dbraw/zinc/70/53/75/1416705375.db2.gz AZFKVNQXALSIJY-AWEZNQCLSA-N 1 3 396.938 3.398 20 0 GGADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000132724395 1416808327 /nfs/dbraw/zinc/80/83/27/1416808327.db2.gz XYWFWWHGPNCQBI-CRYYWNKWSA-N 1 3 386.561 3.232 20 0 GGADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000132809240 1416817505 /nfs/dbraw/zinc/81/75/05/1416817505.db2.gz CZRATIMIUWSYFW-IAGOWNOFSA-N 1 3 386.540 3.122 20 0 GGADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000132808684 1416817605 /nfs/dbraw/zinc/81/76/05/1416817605.db2.gz CZRATIMIUWSYFW-IRXDYDNUSA-N 1 3 386.540 3.122 20 0 GGADHO COc1cc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)ccc1OC(F)F ZINC000132852536 1416823217 /nfs/dbraw/zinc/82/32/17/1416823217.db2.gz FPAIVRDHHIYOHE-CABCVRRESA-N 1 3 384.467 3.448 20 0 GGADHO COc1cc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)ccc1OC(F)F ZINC000132852298 1416823359 /nfs/dbraw/zinc/82/33/59/1416823359.db2.gz FPAIVRDHHIYOHE-GJZGRUSLSA-N 1 3 384.467 3.448 20 0 GGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000133107512 1416852582 /nfs/dbraw/zinc/85/25/82/1416852582.db2.gz SYQKSBFYONRXKV-MNEFBYGVSA-N 1 3 385.474 3.009 20 0 GGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000133107512 1416852585 /nfs/dbraw/zinc/85/25/85/1416852585.db2.gz SYQKSBFYONRXKV-MNEFBYGVSA-N 1 3 385.474 3.009 20 0 GGADHO Cc1cccc(OC[C@H](O)CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000133309925 1416877326 /nfs/dbraw/zinc/87/73/26/1416877326.db2.gz XXOGBRMJQLJOSP-JOCHJYFZSA-N 1 3 397.563 3.055 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000133423123 1416888254 /nfs/dbraw/zinc/88/82/54/1416888254.db2.gz ZFMQNMWOPPYGFW-AVRDEDQJSA-N 1 3 399.583 3.171 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000133423123 1416888256 /nfs/dbraw/zinc/88/82/56/1416888256.db2.gz ZFMQNMWOPPYGFW-AVRDEDQJSA-N 1 3 399.583 3.171 20 0 GGADHO C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C[NH+]1CCCCC1 ZINC000133831224 1416971712 /nfs/dbraw/zinc/97/17/12/1416971712.db2.gz WPOCNBQBNWTUTD-MOPGFXCFSA-N 1 3 387.572 3.028 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000133883614 1416987743 /nfs/dbraw/zinc/98/77/43/1416987743.db2.gz NSDYFFLTWULFOZ-RBUKOAKNSA-N 1 3 387.572 3.027 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000133887694 1416988637 /nfs/dbraw/zinc/98/86/37/1416988637.db2.gz LMJXNXBTQIAKHK-SFHVURJKSA-N 1 3 399.535 3.096 20 0 GGADHO C[C@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000133999114 1417007999 /nfs/dbraw/zinc/00/79/99/1417007999.db2.gz URNOUGREASSBSL-HTAPYJJXSA-N 1 3 386.561 3.499 20 0 GGADHO CS[C@@H]1CCCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000134561147 1417087359 /nfs/dbraw/zinc/08/73/59/1417087359.db2.gz GBKMLCSPUTYFBC-HXUWFJFHSA-N 1 3 375.582 3.116 20 0 GGADHO O[C@H](COCc1ccccc1Cl)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134879762 1417138916 /nfs/dbraw/zinc/13/89/16/1417138916.db2.gz VNAUEJFOJUQDJA-LKUPVBHCSA-N 1 3 378.944 3.166 20 0 GGADHO O[C@H](COCc1ccccc1Cl)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134879762 1417138917 /nfs/dbraw/zinc/13/89/17/1417138917.db2.gz VNAUEJFOJUQDJA-LKUPVBHCSA-N 1 3 378.944 3.166 20 0 GGADHO CN(C)Cc1cc(CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)ccc1F ZINC000135433787 1417219832 /nfs/dbraw/zinc/21/98/32/1417219832.db2.gz LMHRGQRUBRZZFO-UHFFFAOYSA-N 1 3 390.478 3.087 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000136047499 1417288150 /nfs/dbraw/zinc/28/81/50/1417288150.db2.gz OWUAPLPSCRBBPZ-AWEZNQCLSA-N 1 3 388.781 3.466 20 0 GGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000140094183 1417488462 /nfs/dbraw/zinc/48/84/62/1417488462.db2.gz OIXCELUMRZSCRK-QFIPXVFZSA-N 1 3 380.536 3.212 20 0 GGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000140094183 1417488466 /nfs/dbraw/zinc/48/84/66/1417488466.db2.gz OIXCELUMRZSCRK-QFIPXVFZSA-N 1 3 380.536 3.212 20 0 GGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000141542640 1417543860 /nfs/dbraw/zinc/54/38/60/1417543860.db2.gz OGUJBKJKKFMGMH-UHFFFAOYSA-N 1 3 382.552 3.412 20 0 GGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000141542640 1417543886 /nfs/dbraw/zinc/54/38/86/1417543886.db2.gz OGUJBKJKKFMGMH-UHFFFAOYSA-N 1 3 382.552 3.412 20 0 GGADHO CC(C)[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000145537726 1417690739 /nfs/dbraw/zinc/69/07/39/1417690739.db2.gz YOLUWMACCRUOEG-OAQYLSRUSA-N 1 3 388.625 3.236 20 0 GGADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145703332 1417697736 /nfs/dbraw/zinc/69/77/36/1417697736.db2.gz IWALCJUMRMAURU-RBUKOAKNSA-N 1 3 388.625 3.236 20 0 GGADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145703332 1417697748 /nfs/dbraw/zinc/69/77/48/1417697748.db2.gz IWALCJUMRMAURU-RBUKOAKNSA-N 1 3 388.625 3.236 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000150746052 1417796715 /nfs/dbraw/zinc/79/67/15/1417796715.db2.gz IXESIPMKEDIQKN-SFHVURJKSA-N 1 3 396.526 3.016 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000150746052 1417796721 /nfs/dbraw/zinc/79/67/21/1417796721.db2.gz IXESIPMKEDIQKN-SFHVURJKSA-N 1 3 396.526 3.016 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000150764261 1417802666 /nfs/dbraw/zinc/80/26/66/1417802666.db2.gz IIUZWNFMGCPSFZ-FCHUYYIVSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000150764261 1417802668 /nfs/dbraw/zinc/80/26/68/1417802668.db2.gz IIUZWNFMGCPSFZ-FCHUYYIVSA-N 1 3 386.584 3.270 20 0 GGADHO CC[N@H+](CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C(C)C ZINC000150788095 1417807004 /nfs/dbraw/zinc/80/70/04/1417807004.db2.gz KEYILTMAMCAPOR-UHFFFAOYSA-N 1 3 378.586 3.130 20 0 GGADHO CC[N@@H+](CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C(C)C ZINC000150788095 1417807005 /nfs/dbraw/zinc/80/70/05/1417807005.db2.gz KEYILTMAMCAPOR-UHFFFAOYSA-N 1 3 378.586 3.130 20 0 GGADHO CC(C)C1CCC(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000151005822 1417853865 /nfs/dbraw/zinc/85/38/65/1417853865.db2.gz ZNKRJDLKSSTJJE-UHFFFAOYSA-N 1 3 378.605 3.307 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3Cl)CC2)CC1 ZINC000151435366 1417967036 /nfs/dbraw/zinc/96/70/36/1417967036.db2.gz PWHNREKAXVZBQC-DLBZAZTESA-N 1 3 393.934 3.257 20 0 GGADHO CN1CCN(Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccccc3F)cc2)CC1 ZINC000151602586 1418037293 /nfs/dbraw/zinc/03/72/93/1418037293.db2.gz MBPWQUJSFVONCE-UHFFFAOYSA-N 1 3 393.510 3.253 20 0 GGADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000151651812 1418050986 /nfs/dbraw/zinc/05/09/86/1418050986.db2.gz QEPFVXOZIRZXOO-PMACEKPBSA-N 1 3 379.589 3.037 20 0 GGADHO OC1CC[NH+](Cc2ccc(CNCc3c[nH]nc3-c3ccccc3F)cc2)CC1 ZINC000151970497 1418109115 /nfs/dbraw/zinc/10/91/15/1418109115.db2.gz JLADYCNFDZCAGG-UHFFFAOYSA-N 1 3 394.494 3.462 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000152214924 1418175246 /nfs/dbraw/zinc/17/52/46/1418175246.db2.gz NAYJCYLCNQCSRH-GCJKJVERSA-N 1 3 395.551 3.209 20 0 GGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccccc1F ZINC000179389642 1429354605 /nfs/dbraw/zinc/35/46/05/1429354605.db2.gz OJOWQKGZFAWOFQ-UHFFFAOYSA-N 1 3 384.499 3.075 20 0 GGADHO C[C@@H](C(=O)NCc1ccc(F)cc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179392427 1429355983 /nfs/dbraw/zinc/35/59/83/1429355983.db2.gz UODYUCODAWEFRK-SFHVURJKSA-N 1 3 398.526 3.464 20 0 GGADHO Cc1ccc(CNC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000179393965 1429356644 /nfs/dbraw/zinc/35/66/44/1429356644.db2.gz GPOWFQXHTFZXEP-UHFFFAOYSA-N 1 3 398.526 3.384 20 0 GGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCc2ccccc2C1 ZINC000179395274 1429357509 /nfs/dbraw/zinc/35/75/09/1429357509.db2.gz ZRZVUTBADUJYAZ-UHFFFAOYSA-N 1 3 392.547 3.205 20 0 GGADHO C[C@H](C(=O)NCc1cccs1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394359 1429357685 /nfs/dbraw/zinc/35/76/85/1429357685.db2.gz QFPAZDGDKRCACI-QGZVFWFLSA-N 1 3 386.565 3.386 20 0 GGADHO C[N@H+](CCOc1cccc(CNCc2cccc3nccn32)c1)C1CCOCC1 ZINC000179423120 1429369380 /nfs/dbraw/zinc/36/93/80/1429369380.db2.gz ASGVBOVMDHEZDI-UHFFFAOYSA-N 1 3 394.519 3.114 20 0 GGADHO C[N@@H+](CCOc1cccc(CNCc2cccc3nccn32)c1)C1CCOCC1 ZINC000179423120 1429369386 /nfs/dbraw/zinc/36/93/86/1429369386.db2.gz ASGVBOVMDHEZDI-UHFFFAOYSA-N 1 3 394.519 3.114 20 0 GGADHO C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000179496158 1429394871 /nfs/dbraw/zinc/39/48/71/1429394871.db2.gz LKZXQRITJCZYSQ-AUSIDOKSSA-N 1 3 395.547 3.469 20 0 GGADHO CC(C)[C@H](C(=O)Nc1cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c(F)cc1F)N(C)C ZINC000152478597 1422114609 /nfs/dbraw/zinc/11/46/09/1422114609.db2.gz YJPGKJZXKPOGDJ-QZTJIDSGSA-N 1 3 398.498 3.014 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCCC[C@H]3c3ccco3)CC2)CC1 ZINC000152622209 1422172433 /nfs/dbraw/zinc/17/24/33/1422172433.db2.gz GXGGGEPWWRSOKO-FQEVSTJZSA-N 1 3 388.556 3.465 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCCC[C@@H]3c3ccco3)CC2)CC1 ZINC000152622095 1422173392 /nfs/dbraw/zinc/17/33/92/1422173392.db2.gz GXGGGEPWWRSOKO-HXUWFJFHSA-N 1 3 388.556 3.465 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccccc3)CC(F)F)CC2)CC1 ZINC000152951119 1422305894 /nfs/dbraw/zinc/30/58/94/1422305894.db2.gz DOSVMZWIGCDCAI-UHFFFAOYSA-N 1 3 394.510 3.022 20 0 GGADHO C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000153739515 1422731077 /nfs/dbraw/zinc/73/10/77/1422731077.db2.gz MGSVNSXKXURADJ-SFHVURJKSA-N 1 3 390.553 3.251 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)[C@H](C)C1 ZINC000153811622 1422773225 /nfs/dbraw/zinc/77/32/25/1422773225.db2.gz WHWRHEPONILEQM-WOJBJXKFSA-N 1 3 383.646 3.075 20 0 GGADHO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000154395773 1422883494 /nfs/dbraw/zinc/88/34/94/1422883494.db2.gz IOCSBEJUKHSHBI-HXUWFJFHSA-N 1 3 384.524 3.017 20 0 GGADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000154881776 1423065932 /nfs/dbraw/zinc/06/59/32/1423065932.db2.gz CUYUSBCVIGLIEO-KRWDZBQOSA-N 1 3 389.565 3.286 20 0 GGADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000154881776 1423065938 /nfs/dbraw/zinc/06/59/38/1423065938.db2.gz CUYUSBCVIGLIEO-KRWDZBQOSA-N 1 3 389.565 3.286 20 0 GGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000154946831 1423088374 /nfs/dbraw/zinc/08/83/74/1423088374.db2.gz MYMOXAAJNNAECR-YADHBBJMSA-N 1 3 384.568 3.483 20 0 GGADHO C[C@@H]1C[NH+](CC2CCN(Cc3cn(C)nc3-c3cccs3)CC2)C[C@@H](C)O1 ZINC000179884300 1429624106 /nfs/dbraw/zinc/62/41/06/1429624106.db2.gz YFUHJZKMZGYSOE-IAGOWNOFSA-N 1 3 388.581 3.470 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000155568883 1423423312 /nfs/dbraw/zinc/42/33/12/1423423312.db2.gz DBNWHGCDERBGOV-UXHICEINSA-N 1 3 383.584 3.474 20 0 GGADHO CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000155674877 1423481285 /nfs/dbraw/zinc/48/12/85/1423481285.db2.gz LAHWUHSBBLJSTC-GOSISDBHSA-N 1 3 398.389 3.469 20 0 GGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156379013 1423801986 /nfs/dbraw/zinc/80/19/86/1423801986.db2.gz FBNZNZNVNPQDEM-FCHUYYIVSA-N 1 3 384.568 3.483 20 0 GGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156379382 1423802234 /nfs/dbraw/zinc/80/22/34/1423802234.db2.gz FBNZNZNVNPQDEM-YADHBBJMSA-N 1 3 384.568 3.483 20 0 GGADHO Cc1ccc2ncc(C[NH2+][C@H](C)c3cc(F)ccc3N3CCN(C)CC3)n2c1 ZINC000156538909 1423825125 /nfs/dbraw/zinc/82/51/25/1423825125.db2.gz QNSMLPSNUZHPMY-QGZVFWFLSA-N 1 3 381.499 3.384 20 0 GGADHO C[C@H]1C[C@@H]([N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 ZINC000157068097 1423915941 /nfs/dbraw/zinc/91/59/41/1423915941.db2.gz ZYKKUEUYROBXJD-RYQLBKOJSA-N 1 3 383.458 3.135 20 0 GGADHO C[C@H]1C[C@@H]([N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 ZINC000157068097 1423915946 /nfs/dbraw/zinc/91/59/46/1423915946.db2.gz ZYKKUEUYROBXJD-RYQLBKOJSA-N 1 3 383.458 3.135 20 0 GGADHO Cc1ccccc1CN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000157163314 1423941760 /nfs/dbraw/zinc/94/17/60/1423941760.db2.gz DSAQAHBCPOZICZ-GOSISDBHSA-N 1 3 389.565 3.076 20 0 GGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccsc1 ZINC000157322849 1423984564 /nfs/dbraw/zinc/98/45/64/1423984564.db2.gz FDRDUTBQHKWVCS-IEBWSBKVSA-N 1 3 380.602 3.408 20 0 GGADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000157322849 1423984568 /nfs/dbraw/zinc/98/45/68/1423984568.db2.gz FDRDUTBQHKWVCS-IEBWSBKVSA-N 1 3 380.602 3.408 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccsc1 ZINC000157322702 1423984922 /nfs/dbraw/zinc/98/49/22/1423984922.db2.gz FDRDUTBQHKWVCS-MJGOQNOKSA-N 1 3 380.602 3.408 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000157322702 1423984933 /nfs/dbraw/zinc/98/49/33/1423984933.db2.gz FDRDUTBQHKWVCS-MJGOQNOKSA-N 1 3 380.602 3.408 20 0 GGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccsc1 ZINC000157322547 1423985056 /nfs/dbraw/zinc/98/50/56/1423985056.db2.gz FDRDUTBQHKWVCS-PKOBYXMFSA-N 1 3 380.602 3.408 20 0 GGADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000157322547 1423985064 /nfs/dbraw/zinc/98/50/64/1423985064.db2.gz FDRDUTBQHKWVCS-PKOBYXMFSA-N 1 3 380.602 3.408 20 0 GGADHO CC(C)Oc1ccccc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000157500273 1424024651 /nfs/dbraw/zinc/02/46/51/1424024651.db2.gz RYEXNYWGCLECKK-UHFFFAOYSA-N 1 3 389.584 3.390 20 0 GGADHO C[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000157685620 1424064935 /nfs/dbraw/zinc/06/49/35/1424064935.db2.gz DAENXYVYUOBEHL-OALUTQOASA-N 1 3 398.551 3.098 20 0 GGADHO c1nc(N2CCOCC2)sc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000180038975 1429708564 /nfs/dbraw/zinc/70/85/64/1429708564.db2.gz RIIOJANOBNTJGL-UHFFFAOYSA-N 1 3 378.586 3.068 20 0 GGADHO CN1CCN(c2ncccc2C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000158451796 1424259102 /nfs/dbraw/zinc/25/91/02/1424259102.db2.gz YPWLDZZHFUANNX-IBGZPJMESA-N 1 3 386.927 3.490 20 0 GGADHO CC(C)[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+]1CCCC1 ZINC000158457838 1424260676 /nfs/dbraw/zinc/26/06/76/1424260676.db2.gz NCBPRUZSBHLQPB-RXVVDRJESA-N 1 3 387.572 3.027 20 0 GGADHO CC(C)[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+]1CCCC1 ZINC000158458064 1424260865 /nfs/dbraw/zinc/26/08/65/1424260865.db2.gz NCBPRUZSBHLQPB-NQIIRXRSSA-N 1 3 387.572 3.027 20 0 GGADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(N2CCOC2=O)c1 ZINC000162532842 1424862991 /nfs/dbraw/zinc/86/29/91/1424862991.db2.gz DUOVUCIAVIZQPT-QGZVFWFLSA-N 1 3 383.492 3.434 20 0 GGADHO COc1cccc([C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)N2CCCC2)c1 ZINC000163639536 1425027827 /nfs/dbraw/zinc/02/78/27/1425027827.db2.gz NEHMLUJTSMFZET-FCHUYYIVSA-N 1 3 381.520 3.429 20 0 GGADHO C[C@@H](N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000163695095 1425035552 /nfs/dbraw/zinc/03/55/52/1425035552.db2.gz WIPFCARUUGYCHT-HYBUGGRVSA-N 1 3 397.563 3.351 20 0 GGADHO Cc1ncc([C@@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c(C)n1 ZINC000163930468 1425058608 /nfs/dbraw/zinc/05/86/08/1425058608.db2.gz VGQKPEKUOGVJMV-LJQANCHMSA-N 1 3 381.568 3.342 20 0 GGADHO C[C@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC[N@@H+]1C ZINC000165579508 1425186527 /nfs/dbraw/zinc/18/65/27/1425186527.db2.gz HRFHGQVQMILADD-MAUKXSAKSA-N 1 3 384.490 3.030 20 0 GGADHO C[C@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC[N@H+]1C ZINC000165579508 1425186540 /nfs/dbraw/zinc/18/65/40/1425186540.db2.gz HRFHGQVQMILADD-MAUKXSAKSA-N 1 3 384.490 3.030 20 0 GGADHO C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CN1C1CC1 ZINC000165597338 1425187651 /nfs/dbraw/zinc/18/76/51/1425187651.db2.gz SHEVDVRMPAJPNZ-MAUKXSAKSA-N 1 3 396.501 3.172 20 0 GGADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000165955573 1425203093 /nfs/dbraw/zinc/20/30/93/1425203093.db2.gz WEXYWENCSQWYAX-SJLPKXTDSA-N 1 3 383.964 3.184 20 0 GGADHO CN(C(=O)CC[C@H]([NH3+])c1ccccc1)C1CCN(CCc2ccccn2)CC1 ZINC000166553174 1425214742 /nfs/dbraw/zinc/21/47/42/1425214742.db2.gz MCARPKYVMSLKKP-QFIPXVFZSA-N 1 3 380.536 3.027 20 0 GGADHO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170814235 1425352046 /nfs/dbraw/zinc/35/20/46/1425352046.db2.gz RHFYQRKYZCZYPF-RXVVDRJESA-N 1 3 378.605 3.449 20 0 GGADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000171304534 1425605631 /nfs/dbraw/zinc/60/56/31/1425605631.db2.gz BARCFFFPPMYVBI-IAGOWNOFSA-N 1 3 393.959 3.490 20 0 GGADHO Cn1nccc1C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000171379654 1425649583 /nfs/dbraw/zinc/64/95/83/1425649583.db2.gz GAMYXZKJBXCARG-UHFFFAOYSA-N 1 3 395.473 3.131 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3ccccc3Cl)CC2)CC1 ZINC000171536276 1425721639 /nfs/dbraw/zinc/72/16/39/1425721639.db2.gz VYPUTDYSVKGACO-UHFFFAOYSA-N 1 3 377.960 3.292 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccsc1 ZINC000171620335 1425760551 /nfs/dbraw/zinc/76/05/51/1425760551.db2.gz HJLYNEHWQLBVGU-OALUTQOASA-N 1 3 378.586 3.401 20 0 GGADHO C[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000171964766 1425863711 /nfs/dbraw/zinc/86/37/11/1425863711.db2.gz QOMLOOONNRPRTM-LJQANCHMSA-N 1 3 383.580 3.320 20 0 GGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172543030 1426080156 /nfs/dbraw/zinc/08/01/56/1426080156.db2.gz BELDZEWWDIFESJ-JOCHJYFZSA-N 1 3 384.568 3.483 20 0 GGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172543030 1426080163 /nfs/dbraw/zinc/08/01/63/1426080163.db2.gz BELDZEWWDIFESJ-JOCHJYFZSA-N 1 3 384.568 3.483 20 0 GGADHO CC(C)(CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000172549384 1426082682 /nfs/dbraw/zinc/08/26/82/1426082682.db2.gz AIJQEDCDDDNDKZ-QFIPXVFZSA-N 1 3 398.595 3.483 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c(C)c2)CC1 ZINC000172683154 1426141206 /nfs/dbraw/zinc/14/12/06/1426141206.db2.gz GLZSZQASODWDSK-HXUWFJFHSA-N 1 3 399.583 3.087 20 0 GGADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172694752 1426147337 /nfs/dbraw/zinc/14/73/37/1426147337.db2.gz ISNSWGOCIZZTDV-IBGZPJMESA-N 1 3 384.568 3.167 20 0 GGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000173339073 1426519053 /nfs/dbraw/zinc/51/90/53/1426519053.db2.gz AUOCBGQZVXBBRY-UHFFFAOYSA-N 1 3 399.535 3.259 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)CC1 ZINC000173348613 1426526314 /nfs/dbraw/zinc/52/63/14/1426526314.db2.gz IEZNEJUFHDJFCL-UHFFFAOYSA-N 1 3 384.499 3.109 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000173407452 1426590292 /nfs/dbraw/zinc/59/02/92/1426590292.db2.gz ILRUSESPLZCCGB-IBGZPJMESA-N 1 3 388.556 3.150 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000173407452 1426590299 /nfs/dbraw/zinc/59/02/99/1426590299.db2.gz ILRUSESPLZCCGB-IBGZPJMESA-N 1 3 388.556 3.150 20 0 GGADHO CCC[N@H+](C)C[C@H]1CCN(Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000173446054 1426625819 /nfs/dbraw/zinc/62/58/19/1426625819.db2.gz INCRHTVDXMADGM-OAHLLOKOSA-N 1 3 392.341 3.385 20 0 GGADHO CCC[N@@H+](C)C[C@H]1CCN(Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000173446054 1426625829 /nfs/dbraw/zinc/62/58/29/1426625829.db2.gz INCRHTVDXMADGM-OAHLLOKOSA-N 1 3 392.341 3.385 20 0 GGADHO COc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC(F)F ZINC000173957754 1426909121 /nfs/dbraw/zinc/90/91/21/1426909121.db2.gz CQMNZIMSZQWAOF-UHFFFAOYSA-N 1 3 384.467 3.373 20 0 GGADHO COc1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000173976982 1426921705 /nfs/dbraw/zinc/92/17/05/1426921705.db2.gz FALRUHRPWHKSCY-FQEVSTJZSA-N 1 3 381.520 3.478 20 0 GGADHO COc1ccc(NC(=O)CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000173976982 1426921709 /nfs/dbraw/zinc/92/17/09/1426921709.db2.gz FALRUHRPWHKSCY-FQEVSTJZSA-N 1 3 381.520 3.478 20 0 GGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174118295 1427009698 /nfs/dbraw/zinc/00/96/98/1427009698.db2.gz FBIITPZYICRUPZ-ZWKOTPCHSA-N 1 3 376.570 3.012 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccsc1 ZINC000174157071 1427024955 /nfs/dbraw/zinc/02/49/55/1427024955.db2.gz PPVQWHYHNHNDER-HKUYNNGSSA-N 1 3 378.586 3.258 20 0 GGADHO Cc1cc2oc(=O)cc(CN3CCC(OCC[NH+]4CCCC4)CC3)c2cc1C ZINC000174239446 1427065198 /nfs/dbraw/zinc/06/51/98/1427065198.db2.gz JCUBPJNCULEDPG-UHFFFAOYSA-N 1 3 384.520 3.487 20 0 GGADHO FC(F)(F)c1cccc(N2CCN(CCCC[NH2+]C3CCOCC3)CC2)c1 ZINC000174266144 1427076157 /nfs/dbraw/zinc/07/61/57/1427076157.db2.gz YITJLSWMPNNXML-UHFFFAOYSA-N 1 3 385.474 3.376 20 0 GGADHO CC(C)[NH+](CCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)C(C)C ZINC000174350466 1427115102 /nfs/dbraw/zinc/11/51/02/1427115102.db2.gz CMXJMRBZPYTNSD-WOJBJXKFSA-N 1 3 396.620 3.026 20 0 GGADHO CCN(CC)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1cccc(OC)c1 ZINC000174519290 1427199328 /nfs/dbraw/zinc/19/93/28/1427199328.db2.gz XAFTXMHBMFPAOZ-OAQYLSRUSA-N 1 3 375.557 3.315 20 0 GGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174568889 1427229342 /nfs/dbraw/zinc/22/93/42/1427229342.db2.gz XPXNHSZBASBEJE-NHCUHLMSSA-N 1 3 387.543 3.372 20 0 GGADHO CN1CCN(c2cccc(Cl)c2CNCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000174650699 1427287993 /nfs/dbraw/zinc/28/79/93/1427287993.db2.gz YIFLXAUCDGJIIR-UHFFFAOYSA-N 1 3 386.971 3.443 20 0 GGADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000174767513 1427355985 /nfs/dbraw/zinc/35/59/85/1427355985.db2.gz SZSZOAWXIVBJDQ-UHFFFAOYSA-N 1 3 387.568 3.178 20 0 GGADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000174767513 1427355993 /nfs/dbraw/zinc/35/59/93/1427355993.db2.gz SZSZOAWXIVBJDQ-UHFFFAOYSA-N 1 3 387.568 3.178 20 0 GGADHO C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000175237033 1427618903 /nfs/dbraw/zinc/61/89/03/1427618903.db2.gz MKQNTSVVLDMHNQ-IBGZPJMESA-N 1 3 384.568 3.167 20 0 GGADHO C[C@@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N1CCCCCC1 ZINC000175249220 1427625478 /nfs/dbraw/zinc/62/54/78/1427625478.db2.gz YDOSKFBNTQKYSY-ICSRJNTNSA-N 1 3 385.552 3.355 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000175354856 1427701241 /nfs/dbraw/zinc/70/12/41/1427701241.db2.gz JOWUIAXLMGRJDV-HXUWFJFHSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175409865 1427739326 /nfs/dbraw/zinc/73/93/26/1427739326.db2.gz HKKNECGSWKWVFX-AVRDEDQJSA-N 1 3 384.568 3.133 20 0 GGADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000175539942 1427808696 /nfs/dbraw/zinc/80/86/96/1427808696.db2.gz FBXVYSJUJMSQEL-SBHAEUEKSA-N 1 3 388.556 3.004 20 0 GGADHO COc1cccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)N2CCCC2)c1 ZINC000175579863 1427821137 /nfs/dbraw/zinc/82/11/37/1427821137.db2.gz IUOKVZAVGDOCIW-ZJOUEHCJSA-N 1 3 388.556 3.004 20 0 GGADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000175770945 1427887238 /nfs/dbraw/zinc/88/72/38/1427887238.db2.gz CFPLMSZMDICGKT-FQEVSTJZSA-N 1 3 390.597 3.226 20 0 GGADHO COc1ccc([C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N2CCCC2)cc1 ZINC000175910533 1427966313 /nfs/dbraw/zinc/96/63/13/1427966313.db2.gz WTLCIMZRWBZVNT-FXAWDEMLSA-N 1 3 390.572 3.108 20 0 GGADHO COc1ccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N2CCCC2)cc1 ZINC000175910550 1427966331 /nfs/dbraw/zinc/96/63/31/1427966331.db2.gz WTLCIMZRWBZVNT-YLJYHZDGSA-N 1 3 390.572 3.108 20 0 GGADHO Cc1cccc(CN(CCN(C)C)C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000176021669 1428031926 /nfs/dbraw/zinc/03/19/26/1428031926.db2.gz JCCWVLNQCAHTHL-UHFFFAOYSA-N 1 3 386.584 3.475 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000176140002 1428113488 /nfs/dbraw/zinc/11/34/88/1428113488.db2.gz ZMYITHFYAXNLRT-NRFANRHFSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000176140002 1428113496 /nfs/dbraw/zinc/11/34/96/1428113496.db2.gz ZMYITHFYAXNLRT-NRFANRHFSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000176189749 1428152927 /nfs/dbraw/zinc/15/29/27/1428152927.db2.gz LNHHLZOJEMMZAR-NRFANRHFSA-N 1 3 396.620 3.076 20 0 GGADHO CC1CCN(CCNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000180289431 1429826061 /nfs/dbraw/zinc/82/60/61/1429826061.db2.gz QUGXSBJHRORORW-UHFFFAOYSA-N 1 3 387.572 3.061 20 0 GGADHO Cc1ccc([C@H](NCC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180459395 1429874295 /nfs/dbraw/zinc/87/42/95/1429874295.db2.gz MKPKLOSEFBDULB-QFIPXVFZSA-N 1 3 386.561 3.419 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000180633483 1429945210 /nfs/dbraw/zinc/94/52/10/1429945210.db2.gz CNBAEKGGFYSOPR-QZTJIDSGSA-N 1 3 376.589 3.429 20 0 GGADHO C[C@@H]1C[NH+](CCC2CCN(Cc3cn(C)nc3C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000180633483 1429945214 /nfs/dbraw/zinc/94/52/14/1429945214.db2.gz CNBAEKGGFYSOPR-QZTJIDSGSA-N 1 3 376.589 3.429 20 0 GGADHO C[C@H](CN1CCOCC1)[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000180889423 1430092181 /nfs/dbraw/zinc/09/21/81/1430092181.db2.gz NYEPWFWULQKIGH-QGZVFWFLSA-N 1 3 399.501 3.322 20 0 GGADHO COc1ccc2c(c1)[C@H](NCc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CC2 ZINC000180974362 1430145681 /nfs/dbraw/zinc/14/56/81/1430145681.db2.gz ALUQRGYUZKKCLB-HSZRJFAPSA-N 1 3 393.531 3.298 20 0 GGADHO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000180975428 1430146040 /nfs/dbraw/zinc/14/60/40/1430146040.db2.gz ZAKMWSWANGHTCB-GOSISDBHSA-N 1 3 383.511 3.372 20 0 GGADHO Cc1nc2c(s1)[C@@H](NCc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCC2 ZINC000180975380 1430146408 /nfs/dbraw/zinc/14/64/08/1430146408.db2.gz QPQJTVBMTKIVMI-IBGZPJMESA-N 1 3 398.576 3.444 20 0 GGADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)CCO2 ZINC000180975146 1430146453 /nfs/dbraw/zinc/14/64/53/1430146453.db2.gz PSKUDSJHNNXXKW-SFHVURJKSA-N 1 3 393.531 3.298 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000181000422 1430161016 /nfs/dbraw/zinc/16/10/16/1430161016.db2.gz FOKBFASBZLZWDB-OAQYLSRUSA-N 1 3 383.561 3.098 20 0 GGADHO O=C1c2ccccc2C(=O)N1CCCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181369166 1430282863 /nfs/dbraw/zinc/28/28/63/1430282863.db2.gz ZJZYRCIPJPFLLD-LJQANCHMSA-N 1 3 383.536 3.261 20 0 GGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181411063 1430291141 /nfs/dbraw/zinc/29/11/41/1430291141.db2.gz ANWHWFBBCHEZRV-WTNAPCKOSA-N 1 3 385.552 3.232 20 0 GGADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181418540 1430293867 /nfs/dbraw/zinc/29/38/67/1430293867.db2.gz QREDDBADLDBPQS-HBGVWJBISA-N 1 3 387.524 3.062 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000181518876 1430314119 /nfs/dbraw/zinc/31/41/19/1430314119.db2.gz QBPCILDHEGQLQQ-ZWKOTPCHSA-N 1 3 391.556 3.379 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000181518876 1430314121 /nfs/dbraw/zinc/31/41/21/1430314121.db2.gz QBPCILDHEGQLQQ-ZWKOTPCHSA-N 1 3 391.556 3.379 20 0 GGADHO C[C@@H]1CN(CC2CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)C[C@@H](C)O1 ZINC000181675806 1430339829 /nfs/dbraw/zinc/33/98/29/1430339829.db2.gz PYTWQHZOZVWVBQ-RTBURBONSA-N 1 3 393.616 3.092 20 0 GGADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)cc1CN1CCCCC1 ZINC000182215709 1430431332 /nfs/dbraw/zinc/43/13/32/1430431332.db2.gz UVGVCJCOQTVOEM-IBGZPJMESA-N 1 3 389.584 3.443 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([S@@](C)=O)cc1 ZINC000182235415 1430434675 /nfs/dbraw/zinc/43/46/75/1430434675.db2.gz BRWLWVHTOQOPDS-NWBLWUIWSA-N 1 3 386.561 3.232 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc([S@@](C)=O)cc1 ZINC000182235415 1430434676 /nfs/dbraw/zinc/43/46/76/1430434676.db2.gz BRWLWVHTOQOPDS-NWBLWUIWSA-N 1 3 386.561 3.232 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCOC2=O)cc1 ZINC000182263237 1430439321 /nfs/dbraw/zinc/43/93/21/1430439321.db2.gz GPMUIOXNDBGDNF-JTSKRJEESA-N 1 3 395.503 3.061 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(N2CCOC2=O)cc1 ZINC000182263237 1430439322 /nfs/dbraw/zinc/43/93/22/1430439322.db2.gz GPMUIOXNDBGDNF-JTSKRJEESA-N 1 3 395.503 3.061 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCCC2=O)cc1 ZINC000182272530 1430440716 /nfs/dbraw/zinc/44/07/16/1430440716.db2.gz AUYNSLLSKHZKKK-MBSDFSHPSA-N 1 3 393.531 3.231 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(N2CCCC2=O)cc1 ZINC000182272530 1430440719 /nfs/dbraw/zinc/44/07/19/1430440719.db2.gz AUYNSLLSKHZKKK-MBSDFSHPSA-N 1 3 393.531 3.231 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(N2CCOC2=O)c1 ZINC000182271982 1430440902 /nfs/dbraw/zinc/44/09/02/1430440902.db2.gz KULAYPASGQARJV-JTSKRJEESA-N 1 3 395.503 3.061 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(N2CCOC2=O)c1 ZINC000182271982 1430440903 /nfs/dbraw/zinc/44/09/03/1430440903.db2.gz KULAYPASGQARJV-JTSKRJEESA-N 1 3 395.503 3.061 20 0 GGADHO C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401803 1430460607 /nfs/dbraw/zinc/46/06/07/1430460607.db2.gz QDWXSJOPDGNYOC-TZIWHRDSSA-N 1 3 398.595 3.387 20 0 GGADHO C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401803 1430460609 /nfs/dbraw/zinc/46/06/09/1430460609.db2.gz QDWXSJOPDGNYOC-TZIWHRDSSA-N 1 3 398.595 3.387 20 0 GGADHO COC(=O)c1ccc(CNCCCC[NH+]2CCN(c3cccc(C)c3)CC2)o1 ZINC000182503056 1430479781 /nfs/dbraw/zinc/47/97/81/1430479781.db2.gz RBKPSZOOLGXXPH-UHFFFAOYSA-N 1 3 385.508 3.067 20 0 GGADHO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1CN1CCCCC1 ZINC000182776533 1430538219 /nfs/dbraw/zinc/53/82/19/1430538219.db2.gz GBZAODOCQGVHHB-JXFKEZNVSA-N 1 3 383.540 3.247 20 0 GGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)ccc1OC ZINC000182855531 1430554434 /nfs/dbraw/zinc/55/44/34/1430554434.db2.gz LKGDUAZHFBTCQC-GBESFXJTSA-N 1 3 377.573 3.297 20 0 GGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)ccc1OC ZINC000182855573 1430554452 /nfs/dbraw/zinc/55/44/52/1430554452.db2.gz LKGDUAZHFBTCQC-CEXWTWQISA-N 1 3 377.573 3.297 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000182866016 1430556690 /nfs/dbraw/zinc/55/66/90/1430556690.db2.gz SVFAHKCXOPJFRL-MOPGFXCFSA-N 1 3 390.572 3.314 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000182866016 1430556692 /nfs/dbraw/zinc/55/66/92/1430556692.db2.gz SVFAHKCXOPJFRL-MOPGFXCFSA-N 1 3 390.572 3.314 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182869707 1430557890 /nfs/dbraw/zinc/55/78/90/1430557890.db2.gz GBHLWHCWLAZWHG-CTNGQTDRSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182869707 1430557902 /nfs/dbraw/zinc/55/79/02/1430557902.db2.gz GBHLWHCWLAZWHG-CTNGQTDRSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182869650 1430558165 /nfs/dbraw/zinc/55/81/65/1430558165.db2.gz GBHLWHCWLAZWHG-PZJWPPBQSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182869650 1430558173 /nfs/dbraw/zinc/55/81/73/1430558173.db2.gz GBHLWHCWLAZWHG-PZJWPPBQSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182914026 1430570248 /nfs/dbraw/zinc/57/02/48/1430570248.db2.gz TUBUGNKQHRJHOS-ROUUACIJSA-N 1 3 392.613 3.474 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182914026 1430570249 /nfs/dbraw/zinc/57/02/49/1430570249.db2.gz TUBUGNKQHRJHOS-ROUUACIJSA-N 1 3 392.613 3.474 20 0 GGADHO COc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)cc1CN1CCCCC1 ZINC000182967596 1430582217 /nfs/dbraw/zinc/58/22/17/1430582217.db2.gz XCTCBPMWUXWXLV-IBGZPJMESA-N 1 3 389.584 3.443 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)cc1CN1CCCCC1 ZINC000182967611 1430582479 /nfs/dbraw/zinc/58/24/79/1430582479.db2.gz XCTCBPMWUXWXLV-LJQANCHMSA-N 1 3 389.584 3.443 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)cc1CN1CCCCC1 ZINC000183000159 1430589134 /nfs/dbraw/zinc/58/91/34/1430589134.db2.gz UXDZFJVZWNGRBG-VQTJNVASSA-N 1 3 389.584 3.300 20 0 GGADHO CC(C)(C)S(=O)(=O)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183151125 1430629766 /nfs/dbraw/zinc/62/97/66/1430629766.db2.gz KQXKHXUEZVZUAB-HSALFYBXSA-N 1 3 378.582 3.090 20 0 GGADHO CC(C)(C)S(=O)(=O)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183151125 1430629768 /nfs/dbraw/zinc/62/97/68/1430629768.db2.gz KQXKHXUEZVZUAB-HSALFYBXSA-N 1 3 378.582 3.090 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183226645 1430652709 /nfs/dbraw/zinc/65/27/09/1430652709.db2.gz IXKSMVQWHCVYTI-IAGOWNOFSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000183226645 1430652714 /nfs/dbraw/zinc/65/27/14/1430652714.db2.gz IXKSMVQWHCVYTI-IAGOWNOFSA-N 1 3 377.529 3.275 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183226720 1430653160 /nfs/dbraw/zinc/65/31/60/1430653160.db2.gz XKBKRVZUAPKYFD-IRXDYDNUSA-N 1 3 375.513 3.044 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000183226720 1430653169 /nfs/dbraw/zinc/65/31/69/1430653169.db2.gz XKBKRVZUAPKYFD-IRXDYDNUSA-N 1 3 375.513 3.044 20 0 GGADHO Cc1cc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000183315367 1430676929 /nfs/dbraw/zinc/67/69/29/1430676929.db2.gz MVUMFJCJLICQKQ-UHFFFAOYSA-N 1 3 378.948 3.006 20 0 GGADHO CCc1ccc([C@H](CN2CCOCC2)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000183326821 1430680355 /nfs/dbraw/zinc/68/03/55/1430680355.db2.gz FQZKRXBVISGCOG-DEOSSOPVSA-N 1 3 381.564 3.474 20 0 GGADHO COc1ccc([C@H](C)[NH2+]CC2(CO)CCOCC2)cc1CN1CCCCC1 ZINC000183369608 1430692593 /nfs/dbraw/zinc/69/25/93/1430692593.db2.gz CFKUCKHZRWFIER-SFHVURJKSA-N 1 3 376.541 3.121 20 0 GGADHO CCCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000183467247 1430718890 /nfs/dbraw/zinc/71/88/90/1430718890.db2.gz XHBWPUPSUNCEHV-INIZCTEOSA-N 1 3 375.513 3.044 20 0 GGADHO C[C@@H](NCc1ccc(N2CCOC2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000183743448 1430785193 /nfs/dbraw/zinc/78/51/93/1430785193.db2.gz LLYYSNXFVDSMCR-QGZVFWFLSA-N 1 3 383.492 3.434 20 0 GGADHO Cc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1NC(=O)CC[NH+](C)C ZINC000184654577 1430931724 /nfs/dbraw/zinc/93/17/24/1430931724.db2.gz JGKZWMGHNGUJMC-UHFFFAOYSA-N 1 3 395.551 3.357 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC(=O)Nc1ccccc1 ZINC000184740291 1430960575 /nfs/dbraw/zinc/96/05/75/1430960575.db2.gz CKANSMQURBJSSK-QZTJIDSGSA-N 1 3 394.519 3.081 20 0 GGADHO Cc1ccsc1CNC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184747296 1430963836 /nfs/dbraw/zinc/96/38/36/1430963836.db2.gz WDRPKXAZABQPKV-ROUUACIJSA-N 1 3 385.577 3.419 20 0 GGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184885794 1431012668 /nfs/dbraw/zinc/01/26/68/1431012668.db2.gz HWUWQVADAHARGV-FQEVSTJZSA-N 1 3 387.572 3.215 20 0 GGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184885794 1431012673 /nfs/dbraw/zinc/01/26/73/1431012673.db2.gz HWUWQVADAHARGV-FQEVSTJZSA-N 1 3 387.572 3.215 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NCC3(C[NH+](C)C)CCCC3)c2)CC1 ZINC000184889000 1431013472 /nfs/dbraw/zinc/01/34/72/1431013472.db2.gz TZQYBGVVGWCWBX-UHFFFAOYSA-N 1 3 387.572 3.072 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NCC[C@H](C)[NH+]3CCCCC3)c2)CC1 ZINC000184903600 1431017728 /nfs/dbraw/zinc/01/77/28/1431017728.db2.gz CVZRVBTTZGMFMO-IBGZPJMESA-N 1 3 387.572 3.215 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N(CC[NH+](C)C)C3CCCC3)c2)CC1 ZINC000184915925 1431020172 /nfs/dbraw/zinc/02/01/72/1431020172.db2.gz FRFBGPLUYMZTIN-UHFFFAOYSA-N 1 3 387.572 3.167 20 0 GGADHO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])N1CC[NH+](C)CC1 ZINC000184977484 1431035018 /nfs/dbraw/zinc/03/50/18/1431035018.db2.gz YWHQSHYPLBGEDW-PBHICJAKSA-N 1 3 384.362 3.077 20 0 GGADHO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])N1CC[NH+](C)CC1 ZINC000184977467 1431035052 /nfs/dbraw/zinc/03/50/52/1431035052.db2.gz YWHQSHYPLBGEDW-RHSMWYFYSA-N 1 3 384.362 3.077 20 0 GGADHO C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Br)cc1[O-] ZINC000185353304 1431124251 /nfs/dbraw/zinc/12/42/51/1431124251.db2.gz GQQVCPOFVYUNTR-CQSZACIVSA-N 1 3 384.362 3.079 20 0 GGADHO C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1[O-] ZINC000185353304 1431124252 /nfs/dbraw/zinc/12/42/52/1431124252.db2.gz GQQVCPOFVYUNTR-CQSZACIVSA-N 1 3 384.362 3.079 20 0 GGADHO CN(CC[N@H+](C)C1CC1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000185363310 1431126634 /nfs/dbraw/zinc/12/66/34/1431126634.db2.gz FGEZWOWZYGWIHI-UHFFFAOYSA-N 1 3 392.975 3.288 20 0 GGADHO CN(CC[N@@H+](C)C1CC1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000185363310 1431126642 /nfs/dbraw/zinc/12/66/42/1431126642.db2.gz FGEZWOWZYGWIHI-UHFFFAOYSA-N 1 3 392.975 3.288 20 0 GGADHO C[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1COc2ccccc21 ZINC000185545231 1431168122 /nfs/dbraw/zinc/16/81/22/1431168122.db2.gz ZZXBNQKJYXHVMI-XMSQKQJNSA-N 1 3 393.531 3.053 20 0 GGADHO C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185691022 1431207069 /nfs/dbraw/zinc/20/70/69/1431207069.db2.gz SLXIXBUFNKTDGH-MSOLQXFVSA-N 1 3 383.536 3.305 20 0 GGADHO C[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185690968 1431207330 /nfs/dbraw/zinc/20/73/30/1431207330.db2.gz SLXIXBUFNKTDGH-ZWKOTPCHSA-N 1 3 383.536 3.305 20 0 GGADHO Cc1ccc(NC(=O)[C@H](C(C)C)N2CCCCC2)cc1NC(=O)CC[NH+](C)C ZINC000185851706 1431252209 /nfs/dbraw/zinc/25/22/09/1431252209.db2.gz ISPSZUBPUHKNHS-NRFANRHFSA-N 1 3 388.556 3.334 20 0 GGADHO Cc1ccc(NC(=O)[C@@H](C(C)C)N2CCCCC2)cc1NC(=O)CC[NH+](C)C ZINC000185851686 1431252233 /nfs/dbraw/zinc/25/22/33/1431252233.db2.gz ISPSZUBPUHKNHS-OAQYLSRUSA-N 1 3 388.556 3.334 20 0 GGADHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)Cc1ccsc1 ZINC000186694004 1431493622 /nfs/dbraw/zinc/49/36/22/1431493622.db2.gz SQCGWSNSVWZCPQ-QGZVFWFLSA-N 1 3 392.613 3.269 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(-c4ncco4)cc3)CC2)CC1 ZINC000186736033 1431505293 /nfs/dbraw/zinc/50/52/93/1431505293.db2.gz YNJCRKQQXMLDRD-UHFFFAOYSA-N 1 3 383.496 3.022 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000187014164 1431590092 /nfs/dbraw/zinc/59/00/92/1431590092.db2.gz MMMZMEPGJQABJV-UWVAXJGDSA-N 1 3 395.975 3.071 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)C(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000187019010 1431591749 /nfs/dbraw/zinc/59/17/49/1431591749.db2.gz GOWQWCDNCJZXRE-FUHIMQAGSA-N 1 3 395.975 3.071 20 0 GGADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)cc2)CC1 ZINC000187103423 1431616368 /nfs/dbraw/zinc/61/63/68/1431616368.db2.gz YVRQTNXWTSVYDP-UHFFFAOYSA-N 1 3 395.547 3.369 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187159751 1431634317 /nfs/dbraw/zinc/63/43/17/1431634317.db2.gz HWEYDZNZNSIMEV-GDBMZVCRSA-N 1 3 398.389 3.387 20 0 GGADHO C[C@@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CCS(=O)(=O)CC1 ZINC000187182468 1431639450 /nfs/dbraw/zinc/63/94/50/1431639450.db2.gz ASJVOUOMJMKCNZ-MRXNPFEDSA-N 1 3 399.000 3.355 20 0 GGADHO C[C@H]([NH2+]CC1CCN(Cc2ccccc2Cl)CC1)C1CCS(=O)(=O)CC1 ZINC000187182450 1431639459 /nfs/dbraw/zinc/63/94/59/1431639459.db2.gz ASJVOUOMJMKCNZ-INIZCTEOSA-N 1 3 399.000 3.355 20 0 GGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000187473696 1431742434 /nfs/dbraw/zinc/74/24/34/1431742434.db2.gz YSQWFMBCQAKSNH-QFIPXVFZSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187478170 1431743910 /nfs/dbraw/zinc/74/39/10/1431743910.db2.gz DKSDJZYKJQPODZ-YADHBBJMSA-N 1 3 386.584 3.270 20 0 GGADHO CC1(C)OCc2cc(CNCc3ccccc3C[N@@H+]3CC[C@H](O)C3)ccc2O1 ZINC000187512310 1431752830 /nfs/dbraw/zinc/75/28/30/1431752830.db2.gz INOPBFHKMCOWEN-NRFANRHFSA-N 1 3 382.504 3.188 20 0 GGADHO CC1(C)OCc2cc(CNCc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2O1 ZINC000187512310 1431752834 /nfs/dbraw/zinc/75/28/34/1431752834.db2.gz INOPBFHKMCOWEN-NRFANRHFSA-N 1 3 382.504 3.188 20 0 GGADHO Cc1ccc(Cl)cc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000188022907 1431837269 /nfs/dbraw/zinc/83/72/69/1431837269.db2.gz NVCLTFQYPBCHNP-UHFFFAOYSA-N 1 3 378.948 3.006 20 0 GGADHO C[C@@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)CN1CCCCC1 ZINC000189055876 1432035890 /nfs/dbraw/zinc/03/58/90/1432035890.db2.gz DFGYXXGINJXWLO-VIQWUECVSA-N 1 3 383.536 3.305 20 0 GGADHO CN(CCC(=O)N1CCc2ccccc2C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189057163 1432036673 /nfs/dbraw/zinc/03/66/73/1432036673.db2.gz URWZEAAZBNRKQT-JOCHJYFZSA-N 1 3 391.559 3.415 20 0 GGADHO CN(CCC(=O)N1CCc2ccccc2C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189057163 1432036678 /nfs/dbraw/zinc/03/66/78/1432036678.db2.gz URWZEAAZBNRKQT-JOCHJYFZSA-N 1 3 391.559 3.415 20 0 GGADHO Cc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(OCC[NH+](C)C)cc3)C2=O)cc1 ZINC000189100044 1432044719 /nfs/dbraw/zinc/04/47/19/1432044719.db2.gz SEOUAZKUKGAGJA-CVDCTZTESA-N 1 3 395.547 3.387 20 0 GGADHO Cc1ccc2cc(CNCc3cccc(C(=O)NCC[NH+](C)C)c3)ccc2n1 ZINC000189310858 1432083681 /nfs/dbraw/zinc/08/36/81/1432083681.db2.gz XISXAWBMVMNDKC-UHFFFAOYSA-N 1 3 376.504 3.124 20 0 GGADHO Cc1ccc2cc(CNCc3ccc(C(=O)NCC[NH+](C)C)cc3)ccc2n1 ZINC000189350285 1432091271 /nfs/dbraw/zinc/09/12/71/1432091271.db2.gz WROHRPLVDRFGIU-UHFFFAOYSA-N 1 3 376.504 3.124 20 0 GGADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000190000251 1432302515 /nfs/dbraw/zinc/30/25/15/1432302515.db2.gz ZVXWMIKCGNVJBV-APWZRJJASA-N 1 3 381.948 3.395 20 0 GGADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000190000251 1432302519 /nfs/dbraw/zinc/30/25/19/1432302519.db2.gz ZVXWMIKCGNVJBV-APWZRJJASA-N 1 3 381.948 3.395 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(-n4cccc4)c3)CC2)CC1 ZINC000190173100 1432333339 /nfs/dbraw/zinc/33/33/39/1432333339.db2.gz NSDDMPHPLRCZGB-UHFFFAOYSA-N 1 3 381.524 3.157 20 0 GGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000190224927 1432344429 /nfs/dbraw/zinc/34/44/29/1432344429.db2.gz WDTWVKBQVTVPAZ-IBGZPJMESA-N 1 3 387.572 3.124 20 0 GGADHO COc1cccc(CN(CCN(C)C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000190272734 1432351739 /nfs/dbraw/zinc/35/17/39/1432351739.db2.gz QWKLQSFPTCMVNN-UHFFFAOYSA-N 1 3 390.572 3.078 20 0 GGADHO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000191339156 1432636532 /nfs/dbraw/zinc/63/65/32/1432636532.db2.gz GHWZGIDUDAACQH-UHFFFAOYSA-N 1 3 392.613 3.474 20 0 GGADHO CC(C)[NH+]1CCN(CCCN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000191504667 1432674753 /nfs/dbraw/zinc/67/47/53/1432674753.db2.gz PZSDJTVAROUEFM-HXUWFJFHSA-N 1 3 375.532 3.137 20 0 GGADHO CC(C)C[N@H+](CCCN1CCN(C(C)C)CC1)C[C@H](O)c1ccc(F)cc1 ZINC000191510625 1432675854 /nfs/dbraw/zinc/67/58/54/1432675854.db2.gz MNVOHBKRXFIKAE-QFIPXVFZSA-N 1 3 379.564 3.233 20 0 GGADHO CC(C)C[N@@H+](CCCN1CCN(C(C)C)CC1)C[C@H](O)c1ccc(F)cc1 ZINC000191510625 1432675859 /nfs/dbraw/zinc/67/58/59/1432675859.db2.gz MNVOHBKRXFIKAE-QFIPXVFZSA-N 1 3 379.564 3.233 20 0 GGADHO COc1ccc2c(c1)[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)CCS2 ZINC000191532735 1432679347 /nfs/dbraw/zinc/67/93/47/1432679347.db2.gz LKNMTUYHQCSFGL-HXUWFJFHSA-N 1 3 399.560 3.313 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000191543201 1432680358 /nfs/dbraw/zinc/68/03/58/1432680358.db2.gz OAFNBUMXOAWVGE-QFIPXVFZSA-N 1 3 385.552 3.231 20 0 GGADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000191543201 1432680360 /nfs/dbraw/zinc/68/03/60/1432680360.db2.gz OAFNBUMXOAWVGE-QFIPXVFZSA-N 1 3 385.552 3.231 20 0 GGADHO CCOC(=O)c1csc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000191561838 1432683174 /nfs/dbraw/zinc/68/31/74/1432683174.db2.gz FBYGYJXUZMREGB-CEXWTWQISA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000191561838 1432683179 /nfs/dbraw/zinc/68/31/79/1432683179.db2.gz FBYGYJXUZMREGB-CEXWTWQISA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)n1 ZINC000191561838 1432683181 /nfs/dbraw/zinc/68/31/81/1432683181.db2.gz FBYGYJXUZMREGB-CEXWTWQISA-N 1 3 399.560 3.363 20 0 GGADHO CCNc1ccc(Cl)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000192207061 1432816204 /nfs/dbraw/zinc/81/62/04/1432816204.db2.gz NAWJLZSSWYDRQE-UHFFFAOYSA-N 1 3 378.948 3.060 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000192758154 1432885540 /nfs/dbraw/zinc/88/55/40/1432885540.db2.gz OQJHEZMUAMZWSG-SFTDATJTSA-N 1 3 377.573 3.364 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000192758154 1432885541 /nfs/dbraw/zinc/88/55/41/1432885541.db2.gz OQJHEZMUAMZWSG-SFTDATJTSA-N 1 3 377.573 3.364 20 0 GGADHO CC(C)N1CCN(CCC[NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC000192783275 1432890368 /nfs/dbraw/zinc/89/03/68/1432890368.db2.gz OEEZEIUIZPNMMA-UHFFFAOYSA-N 1 3 377.548 3.223 20 0 GGADHO CC(C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000192785504 1432890664 /nfs/dbraw/zinc/89/06/64/1432890664.db2.gz MNNIUOVCZSIZHT-QFIPXVFZSA-N 1 3 375.557 3.161 20 0 GGADHO CC(C)N1CCN(CCC[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000192843324 1432898107 /nfs/dbraw/zinc/89/81/07/1432898107.db2.gz GCVRABFMQIHPKY-UHFFFAOYSA-N 1 3 387.490 3.432 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000192843324 1432898109 /nfs/dbraw/zinc/89/81/09/1432898109.db2.gz GCVRABFMQIHPKY-UHFFFAOYSA-N 1 3 387.490 3.432 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCCNc4ccccc43)c2)C1 ZINC000192846378 1432898249 /nfs/dbraw/zinc/89/82/49/1432898249.db2.gz ZKGFAVMMVSJWDA-REWPJTCUSA-N 1 3 392.547 3.421 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCCNc4ccccc43)c2)C1 ZINC000192846378 1432898253 /nfs/dbraw/zinc/89/82/53/1432898253.db2.gz ZKGFAVMMVSJWDA-REWPJTCUSA-N 1 3 392.547 3.421 20 0 GGADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000192848537 1432898576 /nfs/dbraw/zinc/89/85/76/1432898576.db2.gz SDZVIQXPFAZPKT-UXHICEINSA-N 1 3 383.939 3.315 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000193683483 1433040041 /nfs/dbraw/zinc/04/00/41/1433040041.db2.gz KXFXSYMBFGDEDO-UHFFFAOYSA-N 1 3 398.551 3.457 20 0 GGADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193981580 1433095842 /nfs/dbraw/zinc/09/58/42/1433095842.db2.gz FUDVQJLULICTRO-DNVJHFABSA-N 1 3 383.580 3.132 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC000195021346 1433281921 /nfs/dbraw/zinc/28/19/21/1433281921.db2.gz USQDWRWEGXXSBV-UHFFFAOYSA-N 1 3 394.563 3.209 20 0 GGADHO COc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c2ccccc12 ZINC000195205653 1433307158 /nfs/dbraw/zinc/30/71/58/1433307158.db2.gz GGTZVJDYUJXOJW-UHFFFAOYSA-N 1 3 381.520 3.137 20 0 GGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000195635956 1433342671 /nfs/dbraw/zinc/34/26/71/1433342671.db2.gz FGQIGYXLQXHLCC-SQNIBIBYSA-N 1 3 378.586 3.305 20 0 GGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000195635956 1433342674 /nfs/dbraw/zinc/34/26/74/1433342674.db2.gz FGQIGYXLQXHLCC-SQNIBIBYSA-N 1 3 378.586 3.305 20 0 GGADHO CC(C)[C@@H](C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)N1CCCCC1 ZINC000236661847 1433375574 /nfs/dbraw/zinc/37/55/74/1433375574.db2.gz TVQGMYUBCOQWIC-FQEVSTJZSA-N 1 3 387.524 3.044 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000236850058 1433380894 /nfs/dbraw/zinc/38/08/94/1433380894.db2.gz WNLQRNATWWJJJK-LJQANCHMSA-N 1 3 377.536 3.141 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000236884983 1433381953 /nfs/dbraw/zinc/38/19/53/1433381953.db2.gz RAFHSLOFSITQHV-CQSZACIVSA-N 1 3 375.891 3.305 20 0 GGADHO CCc1ccc([C@@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)N(C)C)cc1 ZINC000236962620 1433384404 /nfs/dbraw/zinc/38/44/04/1433384404.db2.gz WJCVEFQYLJFWJK-JOCHJYFZSA-N 1 3 379.548 3.289 20 0 GGADHO CCOc1c(Cl)cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1OC ZINC000237031847 1433386557 /nfs/dbraw/zinc/38/65/57/1433386557.db2.gz LFKCDRHKXWBAEQ-UHFFFAOYSA-N 1 3 395.975 3.396 20 0 GGADHO COCC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000237129744 1433390315 /nfs/dbraw/zinc/39/03/15/1433390315.db2.gz ZEYAGCCUBDZOTH-UHFFFAOYSA-N 1 3 391.519 3.135 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000237244513 1433393950 /nfs/dbraw/zinc/39/39/50/1433393950.db2.gz LYQIZKASGNCATR-SJORKVTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000237244513 1433393953 /nfs/dbraw/zinc/39/39/53/1433393953.db2.gz LYQIZKASGNCATR-SJORKVTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)c1 ZINC000237244513 1433393958 /nfs/dbraw/zinc/39/39/58/1433393958.db2.gz LYQIZKASGNCATR-SJORKVTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc([C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237324593 1433397515 /nfs/dbraw/zinc/39/75/15/1433397515.db2.gz YWTPWNMUCKNPHF-VXKWHMMOSA-N 1 3 381.520 3.429 20 0 GGADHO COc1ccc([C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237327407 1433397531 /nfs/dbraw/zinc/39/75/31/1433397531.db2.gz CBOSOVJSRYRNEP-VOQZNFBZSA-N 1 3 381.520 3.284 20 0 GGADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000237440438 1433403217 /nfs/dbraw/zinc/40/32/17/1433403217.db2.gz YPFYULLFKARISZ-VDZJLULYSA-N 1 3 383.458 3.027 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237552714 1433409122 /nfs/dbraw/zinc/40/91/22/1433409122.db2.gz QDDLQFLSMKAFQJ-MJGOQNOKSA-N 1 3 375.582 3.242 20 0 GGADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000237606236 1433412328 /nfs/dbraw/zinc/41/23/28/1433412328.db2.gz BBIFIRVNZZZXHD-JYRKZWEQSA-N 1 3 379.589 3.022 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000237693351 1433417437 /nfs/dbraw/zinc/41/74/37/1433417437.db2.gz WIFKORJLFWQQCJ-SIKLNZKXSA-N 1 3 377.532 3.087 20 0 GGADHO Cn1cc(C[NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000237911539 1433433639 /nfs/dbraw/zinc/43/36/39/1433433639.db2.gz OYROPWOLOFKLKA-UHFFFAOYSA-N 1 3 395.473 3.131 20 0 GGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237974053 1433437967 /nfs/dbraw/zinc/43/79/67/1433437967.db2.gz DELIVHQNFPVPMU-QFIPXVFZSA-N 1 3 377.532 3.261 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000245440334 1433468367 /nfs/dbraw/zinc/46/83/67/1433468367.db2.gz ULKHVRXDCWFDSQ-VXKWHMMOSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000245440334 1433468370 /nfs/dbraw/zinc/46/83/70/1433468370.db2.gz ULKHVRXDCWFDSQ-VXKWHMMOSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000245552669 1433484061 /nfs/dbraw/zinc/48/40/61/1433484061.db2.gz QOWZBZNXQLLMIG-IQWRZIDRSA-N 1 3 395.588 3.396 20 0 GGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245918076 1433542473 /nfs/dbraw/zinc/54/24/73/1433542473.db2.gz FZUDDQWBKFRRJG-NQIIRXRSSA-N 1 3 387.572 3.171 20 0 GGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245918076 1433542479 /nfs/dbraw/zinc/54/24/79/1433542479.db2.gz FZUDDQWBKFRRJG-NQIIRXRSSA-N 1 3 387.572 3.171 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000245921503 1433543490 /nfs/dbraw/zinc/54/34/90/1433543490.db2.gz GQYBVWUZETWVKM-RTBURBONSA-N 1 3 387.572 3.027 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000245921503 1433543491 /nfs/dbraw/zinc/54/34/91/1433543491.db2.gz GQYBVWUZETWVKM-RTBURBONSA-N 1 3 387.572 3.027 20 0 GGADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000245965181 1433551054 /nfs/dbraw/zinc/55/10/54/1433551054.db2.gz VLKATONIOFRQSZ-ZCNNSNEGSA-N 1 3 381.605 3.235 20 0 GGADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000245965181 1433551057 /nfs/dbraw/zinc/55/10/57/1433551057.db2.gz VLKATONIOFRQSZ-ZCNNSNEGSA-N 1 3 381.605 3.235 20 0 GGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000245981314 1433553188 /nfs/dbraw/zinc/55/31/88/1433553188.db2.gz YKKIXZIVCFCVGK-QYZOEREBSA-N 1 3 387.572 3.027 20 0 GGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000245981314 1433553189 /nfs/dbraw/zinc/55/31/89/1433553189.db2.gz YKKIXZIVCFCVGK-QYZOEREBSA-N 1 3 387.572 3.027 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccsc1 ZINC000245998106 1433556127 /nfs/dbraw/zinc/55/61/27/1433556127.db2.gz RNKXBYHXUOCHRZ-BHIYHBOVSA-N 1 3 378.586 3.257 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccsc1 ZINC000245998106 1433556131 /nfs/dbraw/zinc/55/61/31/1433556131.db2.gz RNKXBYHXUOCHRZ-BHIYHBOVSA-N 1 3 378.586 3.257 20 0 GGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2)C1 ZINC000246026480 1433559448 /nfs/dbraw/zinc/55/94/48/1433559448.db2.gz LBKBJDCSOYJVDL-DUXKGJEZSA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2)C1 ZINC000246026480 1433559451 /nfs/dbraw/zinc/55/94/51/1433559451.db2.gz LBKBJDCSOYJVDL-DUXKGJEZSA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000246041581 1433560727 /nfs/dbraw/zinc/56/07/27/1433560727.db2.gz NZUMESYTYITNCV-JRGCBEDISA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000246041581 1433560733 /nfs/dbraw/zinc/56/07/33/1433560733.db2.gz NZUMESYTYITNCV-JRGCBEDISA-N 1 3 378.582 3.364 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246289126 1433590072 /nfs/dbraw/zinc/59/00/72/1433590072.db2.gz CGGQWZUJKJJIFU-PMACEKPBSA-N 1 3 375.532 3.132 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246289126 1433590077 /nfs/dbraw/zinc/59/00/77/1433590077.db2.gz CGGQWZUJKJJIFU-PMACEKPBSA-N 1 3 375.532 3.132 20 0 GGADHO COc1cc(C)c([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1OC ZINC000246316978 1433593714 /nfs/dbraw/zinc/59/37/14/1433593714.db2.gz FBNLTXAIYNSYTF-FFZOFVMBSA-N 1 3 376.541 3.431 20 0 GGADHO c1ccc(-c2nnn(CCCCCN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000246441743 1433613695 /nfs/dbraw/zinc/61/36/95/1433613695.db2.gz DGAGIQABMHPXAM-RBBKRZOGSA-N 1 3 394.567 3.459 20 0 GGADHO c1ccc(-c2nnn(CCCCCN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000246441743 1433613697 /nfs/dbraw/zinc/61/36/97/1433613697.db2.gz DGAGIQABMHPXAM-RBBKRZOGSA-N 1 3 394.567 3.459 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000246463585 1433616124 /nfs/dbraw/zinc/61/61/24/1433616124.db2.gz QBPCILDHEGQLQQ-QZTJIDSGSA-N 1 3 391.556 3.379 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000246463585 1433616125 /nfs/dbraw/zinc/61/61/25/1433616125.db2.gz QBPCILDHEGQLQQ-QZTJIDSGSA-N 1 3 391.556 3.379 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CN1Cc1ccccc1 ZINC000246510343 1433623476 /nfs/dbraw/zinc/62/34/76/1433623476.db2.gz UAGPMPAUDJHMIR-WQJYWUQFSA-N 1 3 396.579 3.308 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CN1Cc1ccccc1 ZINC000246510343 1433623477 /nfs/dbraw/zinc/62/34/77/1433623477.db2.gz UAGPMPAUDJHMIR-WQJYWUQFSA-N 1 3 396.579 3.308 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000246828152 1433675528 /nfs/dbraw/zinc/67/55/28/1433675528.db2.gz DRRFJKRMGYTROF-QZTJIDSGSA-N 1 3 378.586 3.162 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000246828152 1433675533 /nfs/dbraw/zinc/67/55/33/1433675533.db2.gz DRRFJKRMGYTROF-QZTJIDSGSA-N 1 3 378.586 3.162 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000247280568 1433699787 /nfs/dbraw/zinc/69/97/87/1433699787.db2.gz KHQKDOJTWLBODI-IFMALSPDSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000247280568 1433699794 /nfs/dbraw/zinc/69/97/94/1433699794.db2.gz KHQKDOJTWLBODI-IFMALSPDSA-N 1 3 386.584 3.270 20 0 GGADHO CC1CCN(CCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000247415928 1433719329 /nfs/dbraw/zinc/71/93/29/1433719329.db2.gz UAKUWUTXKKRGJZ-UNMCSNQZSA-N 1 3 386.584 3.413 20 0 GGADHO CC1CCN(CCNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000247415928 1433719337 /nfs/dbraw/zinc/71/93/37/1433719337.db2.gz UAKUWUTXKKRGJZ-UNMCSNQZSA-N 1 3 386.584 3.413 20 0 GGADHO Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2CC[C@@H](CN(C)C)C2)c2ccccc2)cc1 ZINC000247516354 1433732798 /nfs/dbraw/zinc/73/27/98/1433732798.db2.gz WIFRYPABMYXVDI-NKKJXINNSA-N 1 3 382.548 3.345 20 0 GGADHO Cc1ccc([C@H](OC[C@@H](O)C[N@@H+]2CC[C@@H](CN(C)C)C2)c2ccccc2)cc1 ZINC000247516354 1433732808 /nfs/dbraw/zinc/73/28/08/1433732808.db2.gz WIFRYPABMYXVDI-NKKJXINNSA-N 1 3 382.548 3.345 20 0 GGADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000248010066 1433762871 /nfs/dbraw/zinc/76/28/71/1433762871.db2.gz LEXPZHGVMGDJJZ-OFNKIYASSA-N 1 3 393.531 3.170 20 0 GGADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000248010066 1433762876 /nfs/dbraw/zinc/76/28/76/1433762876.db2.gz LEXPZHGVMGDJJZ-OFNKIYASSA-N 1 3 393.531 3.170 20 0 GGADHO O[C@H](COCc1ccco1)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248168640 1433776720 /nfs/dbraw/zinc/77/67/20/1433776720.db2.gz UHMDJGDCJXDRFC-QNWVGRARSA-N 1 3 384.520 3.144 20 0 GGADHO O[C@H](COCc1ccco1)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248168640 1433776728 /nfs/dbraw/zinc/77/67/28/1433776728.db2.gz UHMDJGDCJXDRFC-QNWVGRARSA-N 1 3 384.520 3.144 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC(=O)Nc1ccccc1 ZINC000248390815 1433793469 /nfs/dbraw/zinc/79/34/69/1433793469.db2.gz CKANSMQURBJSSK-OEWRPIJISA-N 1 3 394.519 3.081 20 0 GGADHO COc1ccccc1CNC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248401815 1433798132 /nfs/dbraw/zinc/79/81/32/1433798132.db2.gz SXJYUNPGOQCBMI-HROJSSOGSA-N 1 3 395.547 3.058 20 0 GGADHO O=C1[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCN1CC(F)(F)F ZINC000248418844 1433801240 /nfs/dbraw/zinc/80/12/40/1433801240.db2.gz UDNCHHBTVGUCIL-WJFTUGDTSA-N 1 3 395.469 3.040 20 0 GGADHO O=C1[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCN1CC(F)(F)F ZINC000248418842 1433801297 /nfs/dbraw/zinc/80/12/97/1433801297.db2.gz UDNCHHBTVGUCIL-INDMIFKZSA-N 1 3 395.469 3.040 20 0 GGADHO CCOc1ccc(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248568693 1433808915 /nfs/dbraw/zinc/80/89/15/1433808915.db2.gz LNUBQHIOKIPYPD-WSTZPKSXSA-N 1 3 376.541 3.068 20 0 GGADHO CCOc1ccc(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248568693 1433808916 /nfs/dbraw/zinc/80/89/16/1433808916.db2.gz LNUBQHIOKIPYPD-WSTZPKSXSA-N 1 3 376.541 3.068 20 0 GGADHO O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248788247 1433822698 /nfs/dbraw/zinc/82/26/98/1433822698.db2.gz CYTLLUSBFLXWBC-QPTUXGOLSA-N 1 3 389.543 3.185 20 0 GGADHO O=C1c2ccccc2CCN1CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248788247 1433822700 /nfs/dbraw/zinc/82/27/00/1433822700.db2.gz CYTLLUSBFLXWBC-QPTUXGOLSA-N 1 3 389.543 3.185 20 0 GGADHO O=C1c2ccccc2CCN1CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248788247 1433822701 /nfs/dbraw/zinc/82/27/01/1433822701.db2.gz CYTLLUSBFLXWBC-QPTUXGOLSA-N 1 3 389.543 3.185 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000248799131 1433823083 /nfs/dbraw/zinc/82/30/83/1433823083.db2.gz JNNIVLQSKPBMBO-XMSQKQJNSA-N 1 3 384.568 3.213 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248852093 1433825769 /nfs/dbraw/zinc/82/57/69/1433825769.db2.gz OWKCSKXGFSJOMI-VLSUOOLDSA-N 1 3 396.579 3.165 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248852093 1433825771 /nfs/dbraw/zinc/82/57/71/1433825771.db2.gz OWKCSKXGFSJOMI-VLSUOOLDSA-N 1 3 396.579 3.165 20 0 GGADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000248855250 1433826072 /nfs/dbraw/zinc/82/60/72/1433826072.db2.gz VWCHSXOCSAJOQX-JTHBVZDNSA-N 1 3 399.579 3.048 20 0 GGADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000248855250 1433826074 /nfs/dbraw/zinc/82/60/74/1433826074.db2.gz VWCHSXOCSAJOQX-JTHBVZDNSA-N 1 3 399.579 3.048 20 0 GGADHO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000249042174 1433832968 /nfs/dbraw/zinc/83/29/68/1433832968.db2.gz VHWXOLGGXGJCDW-QRVBRYPASA-N 1 3 383.577 3.255 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCCNc4ccccc43)c2)C1 ZINC000249058511 1433833326 /nfs/dbraw/zinc/83/33/26/1433833326.db2.gz ZKGFAVMMVSJWDA-OFNKIYASSA-N 1 3 392.547 3.421 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCCNc4ccccc43)c2)C1 ZINC000249058511 1433833327 /nfs/dbraw/zinc/83/33/27/1433833327.db2.gz ZKGFAVMMVSJWDA-OFNKIYASSA-N 1 3 392.547 3.421 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000249127197 1433836573 /nfs/dbraw/zinc/83/65/73/1433836573.db2.gz RHYIRWGVSJGZGW-PGRDOPGGSA-N 1 3 388.531 3.297 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000249274896 1433840055 /nfs/dbraw/zinc/84/00/55/1433840055.db2.gz KMQOOOVKJGHXHB-PMACEKPBSA-N 1 3 396.620 3.028 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000249274896 1433840056 /nfs/dbraw/zinc/84/00/56/1433840056.db2.gz KMQOOOVKJGHXHB-PMACEKPBSA-N 1 3 396.620 3.028 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000249412808 1433843086 /nfs/dbraw/zinc/84/30/86/1433843086.db2.gz FOCWKZKJJRUUIF-IIMDRIAPSA-N 1 3 393.547 3.118 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[C@@H](C)C1 ZINC000249461969 1433844380 /nfs/dbraw/zinc/84/43/80/1433844380.db2.gz QZQMFDUXDLLVRI-MKUJHJDCSA-N 1 3 381.605 3.042 20 0 GGADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249510845 1433845634 /nfs/dbraw/zinc/84/56/34/1433845634.db2.gz ZVXWMIKCGNVJBV-QFBILLFUSA-N 1 3 381.948 3.395 20 0 GGADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249510845 1433845635 /nfs/dbraw/zinc/84/56/35/1433845635.db2.gz ZVXWMIKCGNVJBV-QFBILLFUSA-N 1 3 381.948 3.395 20 0 GGADHO C/C=C\c1ccc(OC[C@H](O)C[N@@H+](C)C2CCN(CCC)CC2)c(OC)c1 ZINC000255324692 1433880372 /nfs/dbraw/zinc/88/03/72/1433880372.db2.gz VDBUEFXHNZNCJK-MWGFUINXSA-N 1 3 376.541 3.274 20 0 GGADHO C/C=C\c1ccc(OC[C@H](O)C[N@H+](C)C2CCN(CCC)CC2)c(OC)c1 ZINC000255324692 1433880373 /nfs/dbraw/zinc/88/03/73/1433880373.db2.gz VDBUEFXHNZNCJK-MWGFUINXSA-N 1 3 376.541 3.274 20 0 GGADHO O=C(NC[C@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261921102 1433913113 /nfs/dbraw/zinc/91/31/13/1433913113.db2.gz UYOKGPSLVMEQAR-NVXWUHKLSA-N 1 3 383.508 3.082 20 0 GGADHO CCN1CCN(c2ccc(C(=O)Nc3ncc(C4CC[NH2+]CC4)s3)cc2)CC1 ZINC000262089512 1433926666 /nfs/dbraw/zinc/92/66/66/1433926666.db2.gz ROIFCFJBCWJBDV-UHFFFAOYSA-N 1 3 399.564 3.004 20 0 GGADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1(C)C ZINC000262468741 1433940445 /nfs/dbraw/zinc/94/04/45/1433940445.db2.gz GQAAKZIHPXFRGZ-NZQKXSOJSA-N 1 3 387.568 3.067 20 0 GGADHO COc1ccc([C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000262626466 1433946734 /nfs/dbraw/zinc/94/67/34/1433946734.db2.gz CBOSOVJSRYRNEP-HSQYWUDLSA-N 1 3 381.520 3.284 20 0 GGADHO [NH3+]C1(C(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)CCCCC1 ZINC000262645749 1433947695 /nfs/dbraw/zinc/94/76/95/1433947695.db2.gz NSQXUZXREKSTGN-UHFFFAOYSA-N 1 3 386.540 3.491 20 0 GGADHO CCN(CC)[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000262655836 1433948015 /nfs/dbraw/zinc/94/80/15/1433948015.db2.gz UNTPCDLDKGABFU-HFSMHLIXSA-N 1 3 375.557 3.220 20 0 GGADHO CC1CCN([C@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c2ccccc2)CC1 ZINC000262747934 1433953575 /nfs/dbraw/zinc/95/35/75/1433953575.db2.gz KBEBYAVHQYFFGW-RBBKRZOGSA-N 1 3 395.551 3.011 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1(C)C ZINC000262752385 1433953690 /nfs/dbraw/zinc/95/36/90/1433953690.db2.gz ACTVHYKREJXHJN-HCLVMJGWSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1(C)C ZINC000262752385 1433953693 /nfs/dbraw/zinc/95/36/93/1433953693.db2.gz ACTVHYKREJXHJN-HCLVMJGWSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000262762678 1433954246 /nfs/dbraw/zinc/95/42/46/1433954246.db2.gz DSGHPKFOJDVBST-HCLVMJGWSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000262762678 1433954247 /nfs/dbraw/zinc/95/42/47/1433954247.db2.gz DSGHPKFOJDVBST-HCLVMJGWSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000262761797 1433954309 /nfs/dbraw/zinc/95/43/09/1433954309.db2.gz DNEIPCUEABEYTG-CFKGEZKQSA-N 1 3 387.568 3.030 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000262761797 1433954314 /nfs/dbraw/zinc/95/43/14/1433954314.db2.gz DNEIPCUEABEYTG-CFKGEZKQSA-N 1 3 387.568 3.030 20 0 GGADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1(C)C ZINC000262763502 1433954680 /nfs/dbraw/zinc/95/46/80/1433954680.db2.gz FGQCKVYMMVIKMN-NZQKXSOJSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1(C)C ZINC000262789047 1433956359 /nfs/dbraw/zinc/95/63/59/1433956359.db2.gz NJKNEQHSNFQELY-NZQKXSOJSA-N 1 3 387.568 3.211 20 0 GGADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000263271551 1434000134 /nfs/dbraw/zinc/00/01/34/1434000134.db2.gz XAOJRNHQNXUBIO-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000263271551 1434000137 /nfs/dbraw/zinc/00/01/37/1434000137.db2.gz XAOJRNHQNXUBIO-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000263271551 1434000140 /nfs/dbraw/zinc/00/01/40/1434000140.db2.gz XAOJRNHQNXUBIO-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO Cc1ccccc1[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000263697218 1434022317 /nfs/dbraw/zinc/02/23/17/1434022317.db2.gz HQZZBCPZZAIEOV-IBGZPJMESA-N 1 3 384.568 3.053 20 0 GGADHO CC(C)N(Cc1cccc(F)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000263783126 1434033386 /nfs/dbraw/zinc/03/33/86/1434033386.db2.gz WTKSYGYJYVMFRY-UHFFFAOYSA-N 1 3 390.547 3.304 20 0 GGADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C[C@H](C)O1 ZINC000263832318 1434039400 /nfs/dbraw/zinc/03/94/00/1434039400.db2.gz SMUCCRSUHLHTKW-BGYRXZFFSA-N 1 3 399.579 3.244 20 0 GGADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C[C@H](C)O1 ZINC000263832318 1434039402 /nfs/dbraw/zinc/03/94/02/1434039402.db2.gz SMUCCRSUHLHTKW-BGYRXZFFSA-N 1 3 399.579 3.244 20 0 GGADHO CC(C)N(Cc1ccc(F)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000264059216 1434067547 /nfs/dbraw/zinc/06/75/47/1434067547.db2.gz KUYOMGDIUQXSMI-UHFFFAOYSA-N 1 3 390.547 3.304 20 0 GGADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC2(CCOCC2)C1 ZINC000266009496 1434296004 /nfs/dbraw/zinc/29/60/04/1434296004.db2.gz LORKQGQBSYTFKI-HXUWFJFHSA-N 1 3 399.579 3.048 20 0 GGADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000267298947 1434420602 /nfs/dbraw/zinc/42/06/02/1434420602.db2.gz KEIWKGDBOFAVCD-UHFFFAOYSA-N 1 3 390.547 3.306 20 0 GGADHO CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCN(CCc2ccccn2)CC1 ZINC000267364101 1434425993 /nfs/dbraw/zinc/42/59/93/1434425993.db2.gz XAYMQMIJWPXZSC-HXUWFJFHSA-N 1 3 398.595 3.202 20 0 GGADHO CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCN(CCc2ccccn2)CC1 ZINC000267364101 1434425994 /nfs/dbraw/zinc/42/59/94/1434425994.db2.gz XAYMQMIJWPXZSC-HXUWFJFHSA-N 1 3 398.595 3.202 20 0 GGADHO CCO[C@H](CC[NH+](C)C)CNCc1cc(OC)ccc1OCc1ccccn1 ZINC000267874557 1434472900 /nfs/dbraw/zinc/47/29/00/1434472900.db2.gz MPMADGRTVBAZOI-OAQYLSRUSA-N 1 3 387.524 3.116 20 0 GGADHO CC[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccccc1OCC(=O)N(C)C ZINC000268775157 1434555919 /nfs/dbraw/zinc/55/59/19/1434555919.db2.gz VGIKVHQCUFEXFG-OAQYLSRUSA-N 1 3 383.536 3.456 20 0 GGADHO Cc1ccsc1CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268780807 1434556519 /nfs/dbraw/zinc/55/65/19/1434556519.db2.gz AIIDVTZERIIIOW-INIZCTEOSA-N 1 3 395.594 3.137 20 0 GGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000268805816 1434559248 /nfs/dbraw/zinc/55/92/48/1434559248.db2.gz HHPUMPYDGOGQPD-VAMGGRTRSA-N 1 3 375.557 3.063 20 0 GGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000268805814 1434559458 /nfs/dbraw/zinc/55/94/58/1434559458.db2.gz HHPUMPYDGOGQPD-AQNXPRMDSA-N 1 3 375.557 3.063 20 0 GGADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000268825517 1434561380 /nfs/dbraw/zinc/56/13/80/1434561380.db2.gz JBGBLYVXHCFWRR-GHTZIAJQSA-N 1 3 394.519 3.021 20 0 GGADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(-n2cccn2)cc1 ZINC000268872902 1434566726 /nfs/dbraw/zinc/56/67/26/1434566726.db2.gz UYJADFNKIZPPAR-SFHVURJKSA-N 1 3 391.519 3.015 20 0 GGADHO COCCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000268877741 1434567264 /nfs/dbraw/zinc/56/72/64/1434567264.db2.gz ZELPYGYSMIVVBB-OTWHNJEPSA-N 1 3 394.556 3.260 20 0 GGADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000269070757 1434587983 /nfs/dbraw/zinc/58/79/83/1434587983.db2.gz WZOJMESDCGDFHF-MRXNPFEDSA-N 1 3 375.513 3.373 20 0 GGADHO CC[C@@H]1C[N@H+](CCCn2ccnc2C)[C@H](CC)CN1CCCn1ccnc1C ZINC000270697000 1434763249 /nfs/dbraw/zinc/76/32/49/1434763249.db2.gz XGVCGCBZWRKTMR-FGZHOGPDSA-N 1 3 386.588 3.352 20 0 GGADHO CC[C@@H]1C[N@@H+](CCCn2ccnc2C)[C@H](CC)CN1CCCn1ccnc1C ZINC000270697000 1434763252 /nfs/dbraw/zinc/76/32/52/1434763252.db2.gz XGVCGCBZWRKTMR-FGZHOGPDSA-N 1 3 386.588 3.352 20 0 GGADHO CC(C)N1CCN(C2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000270910615 1434787395 /nfs/dbraw/zinc/78/73/95/1434787395.db2.gz NVPDFBBUWMKJOP-UHFFFAOYSA-N 1 3 397.567 3.160 20 0 GGADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000270963995 1434791525 /nfs/dbraw/zinc/79/15/25/1434791525.db2.gz VIQUCNPIRXDZIL-UHFFFAOYSA-N 1 3 392.975 3.159 20 0 GGADHO C[C@@H](CCN1CC[C@@H](C)[C@@H](n2ccnc2)C1)[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000271217735 1434808794 /nfs/dbraw/zinc/80/87/94/1434808794.db2.gz JEFXBRUQUOUFRN-FXTUREPZSA-N 1 3 384.572 3.324 20 0 GGADHO C[C@@H](CCN1CC[C@@H](C)[C@@H](n2ccnc2)C1)[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000271217735 1434808795 /nfs/dbraw/zinc/80/87/95/1434808795.db2.gz JEFXBRUQUOUFRN-FXTUREPZSA-N 1 3 384.572 3.324 20 0 GGADHO C[C@@H](CCN1CC[C@@H](C)[C@@H](n2ccnc2)C1)[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271217738 1434808806 /nfs/dbraw/zinc/80/88/06/1434808806.db2.gz JEFXBRUQUOUFRN-LLVBAIKDSA-N 1 3 384.572 3.324 20 0 GGADHO C[C@@H](CCN1CC[C@@H](C)[C@@H](n2ccnc2)C1)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271217738 1434808807 /nfs/dbraw/zinc/80/88/07/1434808807.db2.gz JEFXBRUQUOUFRN-LLVBAIKDSA-N 1 3 384.572 3.324 20 0 GGADHO COC(=O)COc1cccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000271411533 1434822812 /nfs/dbraw/zinc/82/28/12/1434822812.db2.gz AEQJKVBEFQHBQA-QGZVFWFLSA-N 1 3 386.492 3.030 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000271508067 1434830471 /nfs/dbraw/zinc/83/04/71/1434830471.db2.gz MVQMPYHSTQUEQL-KRWDZBQOSA-N 1 3 399.539 3.403 20 0 GGADHO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000272298897 1434885414 /nfs/dbraw/zinc/88/54/14/1434885414.db2.gz GPPBKLAQZDPKKG-OAQYLSRUSA-N 1 3 398.576 3.028 20 0 GGADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000272307449 1434885917 /nfs/dbraw/zinc/88/59/17/1434885917.db2.gz IBIIUPNVMYUCCE-BBTUJRGHSA-N 1 3 376.508 3.224 20 0 GGADHO C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000272307449 1434885920 /nfs/dbraw/zinc/88/59/20/1434885920.db2.gz IBIIUPNVMYUCCE-BBTUJRGHSA-N 1 3 376.508 3.224 20 0 GGADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000272449717 1434897151 /nfs/dbraw/zinc/89/71/51/1434897151.db2.gz PLOGFYPPXJBGNS-NQIIRXRSSA-N 1 3 386.540 3.109 20 0 GGADHO COCC[NH+]1CCC(N[C@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000272508452 1434901711 /nfs/dbraw/zinc/90/17/11/1434901711.db2.gz FWEYALOVFFIKFP-PMACEKPBSA-N 1 3 389.540 3.398 20 0 GGADHO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000273000289 1434948520 /nfs/dbraw/zinc/94/85/20/1434948520.db2.gz RDGMFJMIANUKDP-OXQOHEQNSA-N 1 3 395.469 3.208 20 0 GGADHO C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000273000289 1434948522 /nfs/dbraw/zinc/94/85/22/1434948522.db2.gz RDGMFJMIANUKDP-OXQOHEQNSA-N 1 3 395.469 3.208 20 0 GGADHO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000273000286 1434948606 /nfs/dbraw/zinc/94/86/06/1434948606.db2.gz RDGMFJMIANUKDP-OXJNMPFZSA-N 1 3 395.469 3.208 20 0 GGADHO C[C@H](NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000273000286 1434948609 /nfs/dbraw/zinc/94/86/09/1434948609.db2.gz RDGMFJMIANUKDP-OXJNMPFZSA-N 1 3 395.469 3.208 20 0 GGADHO CC[NH+](CC)CCOc1ccc(CNCc2cnccc2N(C)C)cc1OC ZINC000273581213 1434998111 /nfs/dbraw/zinc/99/81/11/1434998111.db2.gz IGPGEVBGYUSJGZ-UHFFFAOYSA-N 1 3 386.540 3.167 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)c2)CC1 ZINC000274776952 1435091583 /nfs/dbraw/zinc/09/15/83/1435091583.db2.gz DXVXFALXHCWKMX-FQEVSTJZSA-N 1 3 399.583 3.024 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000274821174 1435095493 /nfs/dbraw/zinc/09/54/93/1435095493.db2.gz GXTBTBKFUKNMCY-DYQZNNLLSA-N 1 3 389.584 3.021 20 0 GGADHO COc1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1OC ZINC000274855507 1435098111 /nfs/dbraw/zinc/09/81/11/1435098111.db2.gz SAMQMQSWEYINEV-XLIONFOSSA-N 1 3 397.519 3.143 20 0 GGADHO Cn1ccnc1[C@H]1OCCC[C@@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000275544326 1435147041 /nfs/dbraw/zinc/14/70/41/1435147041.db2.gz MXUHNAHKWHMOPB-SFTDATJTSA-N 1 3 386.515 3.076 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000275610716 1435152794 /nfs/dbraw/zinc/15/27/94/1435152794.db2.gz JELIJQLNGQZYRJ-UHFFFAOYSA-N 1 3 386.540 3.080 20 0 GGADHO CC(C)Oc1cc(F)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000275643444 1435155729 /nfs/dbraw/zinc/15/57/29/1435155729.db2.gz MMTCPSBGQAZMEJ-UHFFFAOYSA-N 1 3 392.519 3.293 20 0 GGADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000275665495 1435157885 /nfs/dbraw/zinc/15/78/85/1435157885.db2.gz BUUCGQFGDDSTSX-RZUBCFFCSA-N 1 3 385.556 3.197 20 0 GGADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000275665504 1435158021 /nfs/dbraw/zinc/15/80/21/1435158021.db2.gz BUUCGQFGDDSTSX-VWPQPMDRSA-N 1 3 385.556 3.197 20 0 GGADHO Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)n[nH]1 ZINC000275928011 1435180304 /nfs/dbraw/zinc/18/03/04/1435180304.db2.gz QZZGRNXGGRNHJN-ILWGZMRPSA-N 1 3 379.552 3.187 20 0 GGADHO COCCN(C)c1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000276658643 1435223111 /nfs/dbraw/zinc/22/31/11/1435223111.db2.gz VPQGOWGAYKPNEF-KNQAVFIVSA-N 1 3 382.552 3.164 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NCC(C)(C)C[NH+]2CCCC2)c(OC)c1 ZINC000276919673 1435243037 /nfs/dbraw/zinc/24/30/37/1435243037.db2.gz QPCQAOYLNRUVCZ-INIZCTEOSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)c(OC)c1 ZINC000276919673 1435243038 /nfs/dbraw/zinc/24/30/38/1435243038.db2.gz QPCQAOYLNRUVCZ-INIZCTEOSA-N 1 3 377.529 3.133 20 0 GGADHO C[C@@H](c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276981623 1435249395 /nfs/dbraw/zinc/24/93/95/1435249395.db2.gz WBQXWBMHBQYGFU-BBWFWOEESA-N 1 3 384.528 3.207 20 0 GGADHO C[C@@H](c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276981623 1435249398 /nfs/dbraw/zinc/24/93/98/1435249398.db2.gz WBQXWBMHBQYGFU-BBWFWOEESA-N 1 3 384.528 3.207 20 0 GGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@@H]3C2)cc1 ZINC000277032555 1435254294 /nfs/dbraw/zinc/25/42/94/1435254294.db2.gz FKSKHDDEQRLMQU-WWNPGLIZSA-N 1 3 391.563 3.336 20 0 GGADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000278363135 1435384056 /nfs/dbraw/zinc/38/40/56/1435384056.db2.gz BMDUAHMERJCHLX-RTBURBONSA-N 1 3 386.540 3.151 20 0 GGADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000278363135 1435384057 /nfs/dbraw/zinc/38/40/57/1435384057.db2.gz BMDUAHMERJCHLX-RTBURBONSA-N 1 3 386.540 3.151 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H](c3cccnc3)C3CCC3)c2)C1 ZINC000280923685 1435742391 /nfs/dbraw/zinc/74/23/91/1435742391.db2.gz RFTQNJXVYLGTLR-GOTSBHOMSA-N 1 3 392.547 3.410 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H](c3cccnc3)C3CCC3)c2)C1 ZINC000280923685 1435742395 /nfs/dbraw/zinc/74/23/95/1435742395.db2.gz RFTQNJXVYLGTLR-GOTSBHOMSA-N 1 3 392.547 3.410 20 0 GGADHO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000281362822 1435805695 /nfs/dbraw/zinc/80/56/95/1435805695.db2.gz MDNBXZMGVHQOSI-UHFFFAOYSA-N 1 3 390.597 3.228 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N(C)CCC[NH+]3CCCC3)c(C)c2)CC1 ZINC000281428773 1435808574 /nfs/dbraw/zinc/80/85/74/1435808574.db2.gz SGAOWMUFVMUEMN-UHFFFAOYSA-N 1 3 387.572 3.087 20 0 GGADHO [NH3+]CC[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000281611038 1435815560 /nfs/dbraw/zinc/81/55/60/1435815560.db2.gz BFFJHSUGVAMFHP-PKOBYXMFSA-N 1 3 383.458 3.028 20 0 GGADHO Cn1cc(-c2ccc(CNCc3ccccc3C[N@@H+]3CCC[C@H]3CO)s2)cn1 ZINC000282156131 1435836666 /nfs/dbraw/zinc/83/66/66/1435836666.db2.gz CJVAJDMQVBCFQK-FQEVSTJZSA-N 1 3 396.560 3.395 20 0 GGADHO Cn1cc(-c2ccc(CNCc3ccccc3C[N@H+]3CCC[C@H]3CO)s2)cn1 ZINC000282156131 1435836668 /nfs/dbraw/zinc/83/66/68/1435836668.db2.gz CJVAJDMQVBCFQK-FQEVSTJZSA-N 1 3 396.560 3.395 20 0 GGADHO CSc1ccccc1[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000282159780 1435836751 /nfs/dbraw/zinc/83/67/51/1435836751.db2.gz MXHXBXSLJIHNAC-MRXNPFEDSA-N 1 3 390.597 3.327 20 0 GGADHO Cc1ccc(CNCc2ccnc(OCC[NH+](C)C)c2)c(-c2cnn(C)c2)c1 ZINC000282677393 1435856116 /nfs/dbraw/zinc/85/61/16/1435856116.db2.gz OCPISMMOGCBPMA-UHFFFAOYSA-N 1 3 379.508 3.021 20 0 GGADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000283320074 1435884266 /nfs/dbraw/zinc/88/42/66/1435884266.db2.gz OQRBHNNLEYGGCX-FGZHOGPDSA-N 1 3 377.548 3.394 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000283320074 1435884267 /nfs/dbraw/zinc/88/42/67/1435884267.db2.gz OQRBHNNLEYGGCX-FGZHOGPDSA-N 1 3 377.548 3.394 20 0 GGADHO c1ccc(CN2CCCO[C@H](C[N@@H+]3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)C2)cc1 ZINC000284104631 1435991073 /nfs/dbraw/zinc/99/10/73/1435991073.db2.gz MSIQCXNVTXSKLY-OEMFJLHTSA-N 1 3 383.580 3.226 20 0 GGADHO c1ccc(CN2CCCO[C@H](C[N@H+]3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)C2)cc1 ZINC000284104631 1435991084 /nfs/dbraw/zinc/99/10/84/1435991084.db2.gz MSIQCXNVTXSKLY-OEMFJLHTSA-N 1 3 383.580 3.226 20 0 GGADHO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N(C)C)n1)CC2 ZINC001164711055 720099794 /nfs/dbraw/zinc/09/97/94/720099794.db2.gz NPRWTUXWNQDJLU-HXUWFJFHSA-N 1 3 395.551 3.050 20 0 GGADHO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N(C)C)n1)CC2 ZINC001164711055 720099804 /nfs/dbraw/zinc/09/98/04/720099804.db2.gz NPRWTUXWNQDJLU-HXUWFJFHSA-N 1 3 395.551 3.050 20 0 GGADHO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc5c(n4)CCNC5)CC3)CC2)cc1 ZINC001164758787 721042436 /nfs/dbraw/zinc/04/24/36/721042436.db2.gz BKBHVKJLYQPEHZ-UHFFFAOYSA-N 1 3 391.563 3.313 20 0 GGADHO Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(C)c(C)c[nH+]3)C2)C1 ZINC001164783078 721369180 /nfs/dbraw/zinc/36/91/80/721369180.db2.gz PECYRJKEFNAFCO-JOCHJYFZSA-N 1 3 384.524 3.422 20 0 GGADHO Cc1nc(N(C)C)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792742 721490631 /nfs/dbraw/zinc/49/06/31/721490631.db2.gz LFKLOVXNRNMIBC-UHFFFAOYSA-N 1 3 380.540 3.127 20 0 GGADHO Cc1nc(N(C)C)cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164792742 721490634 /nfs/dbraw/zinc/49/06/34/721490634.db2.gz LFKLOVXNRNMIBC-UHFFFAOYSA-N 1 3 380.540 3.127 20 0 GGADHO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[N@@H+]3C2)c1 ZINC001164906425 721565669 /nfs/dbraw/zinc/56/56/69/721565669.db2.gz IZZBNKQOBLGPQE-IRLDBZIGSA-N 1 3 396.510 3.158 20 0 GGADHO Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[N@H+]3C2)c1 ZINC001164906425 721565676 /nfs/dbraw/zinc/56/56/76/721565676.db2.gz IZZBNKQOBLGPQE-IRLDBZIGSA-N 1 3 396.510 3.158 20 0 GGADHO CN(C)c1cc[nH+]c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164906707 721703025 /nfs/dbraw/zinc/70/30/25/721703025.db2.gz PDZIVNWDMFJYQS-FQEVSTJZSA-N 1 3 387.478 3.280 20 0 GGADHO CN(C)Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027568 721827411 /nfs/dbraw/zinc/82/74/11/721827411.db2.gz SQTJEPJGKZLPJF-NNWRFLSQSA-N 1 3 379.552 3.275 20 0 GGADHO CN(C)Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027568 721827412 /nfs/dbraw/zinc/82/74/12/721827412.db2.gz SQTJEPJGKZLPJF-NNWRFLSQSA-N 1 3 379.552 3.275 20 0 GGADHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(N2CCCC2)cc2ccccc21 ZINC001164933272 721881972 /nfs/dbraw/zinc/88/19/72/721881972.db2.gz LIVZLIWRWHQZAZ-SFTDATJTSA-N 1 3 379.552 3.050 20 0 GGADHO Cc1ccc(N(c2cc(CN(C)C)ccn2)c2ncnc3c2CC[NH2+]CC3)cc1 ZINC001164968378 722078688 /nfs/dbraw/zinc/07/86/88/722078688.db2.gz AICMWGJGWHPUSW-UHFFFAOYSA-N 1 3 388.519 3.400 20 0 GGADHO CC[NH+](CC)CCCC1CC[NH+](CCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825412072 947181286 /nfs/dbraw/zinc/18/12/86/947181286.db2.gz JFHNHCHMIAEROW-UHFFFAOYSA-N 1 3 386.544 3.080 20 0 GGADHO CC[NH+](CC)CCCC1CC[NH+](CCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825412072 947181294 /nfs/dbraw/zinc/18/12/94/947181294.db2.gz JFHNHCHMIAEROW-UHFFFAOYSA-N 1 3 386.544 3.080 20 0 GGADHO CC1CC[NH+](Cc2ccccc2C[NH2+]C2CCN(CCCC(=O)[O-])CC2)CC1 ZINC001594426037 999591641 /nfs/dbraw/zinc/59/16/41/999591641.db2.gz GDKWHONNQXYGSQ-UHFFFAOYSA-N 1 3 387.568 3.337 20 0 GGADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cnc(-c3cccs3)s1)[C@@H](O)C2 ZINC001550421873 1126206407 /nfs/dbraw/zinc/20/64/07/1126206407.db2.gz HHTQXMAYAIPDQR-YEWFCNIMSA-N 1 3 377.579 3.441 20 0 GGADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cnc(-c3cccs3)s1)[C@@H](O)C2 ZINC001550421873 1126206408 /nfs/dbraw/zinc/20/64/08/1126206408.db2.gz HHTQXMAYAIPDQR-YEWFCNIMSA-N 1 3 377.579 3.441 20 0 GGADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(-c4ccco4)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423933 1126206764 /nfs/dbraw/zinc/20/67/64/1126206764.db2.gz URDQNMREEXZIEJ-JMVFIXPQSA-N 1 3 375.538 3.363 20 0 GGADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(-c4ccco4)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423933 1126206767 /nfs/dbraw/zinc/20/67/67/1126206767.db2.gz URDQNMREEXZIEJ-JMVFIXPQSA-N 1 3 375.538 3.363 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000120257944 564311804 /nfs/dbraw/zinc/31/18/04/564311804.db2.gz NCAVEDBEGMOOCT-UHFFFAOYSA-N 1 3 391.741 3.060 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(Br)s2)cc1 ZINC000123869216 564464620 /nfs/dbraw/zinc/46/46/20/564464620.db2.gz HOBZTNWSBXCMOM-UHFFFAOYSA-N 1 3 396.354 3.092 20 0 GGADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)s1 ZINC000051760934 564566877 /nfs/dbraw/zinc/56/68/77/564566877.db2.gz XLGAXZYXLVKKSQ-CYBMUJFWSA-N 1 3 384.977 3.320 20 0 GGADHO CN(Cc1ccc(Cl)s1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759511 564566993 /nfs/dbraw/zinc/56/69/93/564566993.db2.gz BMXFVSGVYMFUDJ-UHFFFAOYSA-N 1 3 384.977 3.102 20 0 GGADHO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128708955 564627532 /nfs/dbraw/zinc/62/75/32/564627532.db2.gz DPNRDJCRANQZMM-HNNXBMFYSA-N 1 3 386.353 3.136 20 0 GGADHO CN1CCC[N@H+](CCCN[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134383477 564801604 /nfs/dbraw/zinc/80/16/04/564801604.db2.gz IMUNXTQIEVHXGE-QGZVFWFLSA-N 1 3 384.337 3.193 20 0 GGADHO CN1CCC[N@@H+](CCCN[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134383477 564801609 /nfs/dbraw/zinc/80/16/09/564801609.db2.gz IMUNXTQIEVHXGE-QGZVFWFLSA-N 1 3 384.337 3.193 20 0 GGADHO C[N@@H+]1CCCN(CCCN[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134383477 564801613 /nfs/dbraw/zinc/80/16/13/564801613.db2.gz IMUNXTQIEVHXGE-QGZVFWFLSA-N 1 3 384.337 3.193 20 0 GGADHO C[N@H+]1CCCN(CCCN[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134383477 564801618 /nfs/dbraw/zinc/80/16/18/564801618.db2.gz IMUNXTQIEVHXGE-QGZVFWFLSA-N 1 3 384.337 3.193 20 0 GGADHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134429464 564802641 /nfs/dbraw/zinc/80/26/41/564802641.db2.gz SONKIIASFDGACF-QGZVFWFLSA-N 1 3 384.337 3.191 20 0 GGADHO CN1CCC[N@H+](CCCNCC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000105476469 564967284 /nfs/dbraw/zinc/96/72/84/564967284.db2.gz UGZZOZDGDDLFKO-UHFFFAOYSA-N 1 3 384.351 3.386 20 0 GGADHO CN1CCC[N@@H+](CCCNCC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000105476469 564967286 /nfs/dbraw/zinc/96/72/86/564967286.db2.gz UGZZOZDGDDLFKO-UHFFFAOYSA-N 1 3 384.351 3.386 20 0 GGADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000154216194 565030203 /nfs/dbraw/zinc/03/02/03/565030203.db2.gz DTCBQTYDDOARPF-OAHLLOKOSA-N 1 3 384.362 3.136 20 0 GGADHO CCN1CCN(CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000154237843 565031264 /nfs/dbraw/zinc/03/12/64/565031264.db2.gz KRSPBDJNFKOXGD-SFHVURJKSA-N 1 3 384.337 3.193 20 0 GGADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000154309199 565033347 /nfs/dbraw/zinc/03/33/47/565033347.db2.gz VLEJJQLZBTZAHA-SFHVURJKSA-N 1 3 396.373 3.280 20 0 GGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000154309083 565033665 /nfs/dbraw/zinc/03/36/65/565033665.db2.gz VLEJJQLZBTZAHA-GOSISDBHSA-N 1 3 396.373 3.280 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000155556901 565069008 /nfs/dbraw/zinc/06/90/08/565069008.db2.gz KTIUTJJCQBWVSM-GJZGRUSLSA-N 1 3 384.362 3.134 20 0 GGADHO O[C@H](CN1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(Br)cc1 ZINC000266750302 565090026 /nfs/dbraw/zinc/09/00/26/565090026.db2.gz QHGDTTMLXAJLPN-LJQANCHMSA-N 1 3 397.357 3.059 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371437065 565194048 /nfs/dbraw/zinc/19/40/48/565194048.db2.gz ARODPEXNZIBZQB-XYPHTWIQSA-N 1 3 380.330 3.383 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371437065 565194052 /nfs/dbraw/zinc/19/40/52/565194052.db2.gz ARODPEXNZIBZQB-XYPHTWIQSA-N 1 3 380.330 3.383 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371437055 565194137 /nfs/dbraw/zinc/19/41/37/565194137.db2.gz ARODPEXNZIBZQB-COXVUDFISA-N 1 3 380.330 3.383 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371437055 565194143 /nfs/dbraw/zinc/19/41/43/565194143.db2.gz ARODPEXNZIBZQB-COXVUDFISA-N 1 3 380.330 3.383 20 0 GGADHO COc1c(Br)cccc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000187168830 565314756 /nfs/dbraw/zinc/31/47/56/565314756.db2.gz ORAFDTXQOHUQLJ-HUUCEWRRSA-N 1 3 385.346 3.437 20 0 GGADHO C[N@H+]1CC=C(CNCc2cc(Br)cc(Br)c2N)CC1 ZINC000274402032 565369838 /nfs/dbraw/zinc/36/98/38/565369838.db2.gz GWSIZJXRLBQVHG-UHFFFAOYSA-N 1 3 389.135 3.145 20 0 GGADHO C[N@@H+]1CC=C(CNCc2cc(Br)cc(Br)c2N)CC1 ZINC000274402032 565369841 /nfs/dbraw/zinc/36/98/41/565369841.db2.gz GWSIZJXRLBQVHG-UHFFFAOYSA-N 1 3 389.135 3.145 20 0 GGADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000165315495 565370021 /nfs/dbraw/zinc/37/00/21/565370021.db2.gz QKOAQPCUPAATDB-FUHWJXTLSA-N 1 3 391.357 3.188 20 0 GGADHO C[C@@H](Cn1cc(Br)cn1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165315495 565370024 /nfs/dbraw/zinc/37/00/24/565370024.db2.gz QKOAQPCUPAATDB-FUHWJXTLSA-N 1 3 391.357 3.188 20 0 GGADHO C[C@@H](Cn1cc(Br)cn1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165315495 565370029 /nfs/dbraw/zinc/37/00/29/565370029.db2.gz QKOAQPCUPAATDB-FUHWJXTLSA-N 1 3 391.357 3.188 20 0 GGADHO CC[NH+]1CCN([C@H](C)CNc2ccnc3cc(Br)ccc32)CC1 ZINC000301534790 565493851 /nfs/dbraw/zinc/49/38/51/565493851.db2.gz QMNSFWZUDNPQMN-CQSZACIVSA-N 1 3 377.330 3.435 20 0 GGADHO CN(Cc1csc(-c2ccsc2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378438474 565527728 /nfs/dbraw/zinc/52/77/28/565527728.db2.gz ZYCGQWXCJVQAQR-GOSISDBHSA-N 1 3 376.595 3.472 20 0 GGADHO CN(Cc1csc(-c2ccsc2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378438475 565527819 /nfs/dbraw/zinc/52/78/19/565527819.db2.gz ZYCGQWXCJVQAQR-SFHVURJKSA-N 1 3 376.595 3.472 20 0 GGADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000329281222 565662127 /nfs/dbraw/zinc/66/21/27/565662127.db2.gz ABEQALNCAPTJOI-QGZVFWFLSA-N 1 3 392.341 3.354 20 0 GGADHO CCN1CCN(CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000193971306 565785930 /nfs/dbraw/zinc/78/59/30/565785930.db2.gz ZOWRKRXUAPYGCG-UHFFFAOYSA-N 1 3 380.374 3.312 20 0 GGADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193974424 565787310 /nfs/dbraw/zinc/78/73/10/565787310.db2.gz CWIDICNOLAIQGF-IBGZPJMESA-N 1 3 380.374 3.444 20 0 GGADHO C[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccsc2S1 ZINC000414191340 565902763 /nfs/dbraw/zinc/90/27/63/565902763.db2.gz LJQNGDDPMUXEDI-DOTOQJQBSA-N 1 3 381.611 3.060 20 0 GGADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000414199124 565902780 /nfs/dbraw/zinc/90/27/80/565902780.db2.gz QPDUZGHDAFJYIC-HNNXBMFYSA-N 1 3 386.367 3.441 20 0 GGADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000414204926 565902832 /nfs/dbraw/zinc/90/28/32/565902832.db2.gz WVGLSRSPPTZSQE-OAHLLOKOSA-N 1 3 386.367 3.441 20 0 GGADHO CC[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414192569 565902933 /nfs/dbraw/zinc/90/29/33/565902933.db2.gz SLGRMIQANZERQR-PBHICJAKSA-N 1 3 387.977 3.021 20 0 GGADHO CC[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414192569 565902936 /nfs/dbraw/zinc/90/29/36/565902936.db2.gz SLGRMIQANZERQR-PBHICJAKSA-N 1 3 387.977 3.021 20 0 GGADHO CC(C)(C)N1CCC([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1 ZINC000178359488 565915225 /nfs/dbraw/zinc/91/52/25/565915225.db2.gz DIXPLAFGOMDGOQ-UHFFFAOYSA-N 1 3 396.373 3.422 20 0 GGADHO CC(C)(C)[NH+]1CCC(NCCCNC(=O)c2cccc(Br)c2)CC1 ZINC000178359488 565915229 /nfs/dbraw/zinc/91/52/29/565915229.db2.gz DIXPLAFGOMDGOQ-UHFFFAOYSA-N 1 3 396.373 3.422 20 0 GGADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3cc(Cl)cs3)cc2)CC1 ZINC000414556725 565948098 /nfs/dbraw/zinc/94/80/98/565948098.db2.gz OUBLCOYMNSMDBO-UHFFFAOYSA-N 1 3 377.941 3.389 20 0 GGADHO COc1ccc(Br)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000237130262 565952826 /nfs/dbraw/zinc/95/28/26/565952826.db2.gz AFBLLVRUAAQYEN-HUUCEWRRSA-N 1 3 385.346 3.437 20 0 GGADHO COCCCN1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000237203605 565954706 /nfs/dbraw/zinc/95/47/06/565954706.db2.gz HRUOQNWZFLZQQV-UHFFFAOYSA-N 1 3 395.341 3.315 20 0 GGADHO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)ccc1Br ZINC000414755711 565958514 /nfs/dbraw/zinc/95/85/14/565958514.db2.gz PLAVOQKAVGSLDK-YJBOKZPZSA-N 1 3 394.357 3.092 20 0 GGADHO Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)ccc1Br ZINC000414755711 565958516 /nfs/dbraw/zinc/95/85/16/565958516.db2.gz PLAVOQKAVGSLDK-YJBOKZPZSA-N 1 3 394.357 3.092 20 0 GGADHO CC(C)C[N@@H+](Cc1ccccc1Br)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414757433 565958906 /nfs/dbraw/zinc/95/89/06/565958906.db2.gz SPKFGEPRXILNOR-MRXNPFEDSA-N 1 3 396.373 3.104 20 0 GGADHO CC(C)C[N@H+](Cc1ccccc1Br)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414757433 565958910 /nfs/dbraw/zinc/95/89/10/565958910.db2.gz SPKFGEPRXILNOR-MRXNPFEDSA-N 1 3 396.373 3.104 20 0 GGADHO Fc1ccc(I)c(F)c1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414834161 565962986 /nfs/dbraw/zinc/96/29/86/565962986.db2.gz GYVFVMZGKKPXIE-JTQLQIEISA-N 1 3 380.220 3.049 20 0 GGADHO CCOCCOc1ccc(Br)cc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414844389 565963895 /nfs/dbraw/zinc/96/38/95/565963895.db2.gz DQRQLWQQKIELSP-HNNXBMFYSA-N 1 3 385.346 3.344 20 0 GGADHO C[C@]1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCNC1 ZINC000414916192 565964806 /nfs/dbraw/zinc/96/48/06/565964806.db2.gz OYZIJGQXLBDQLJ-IBGZPJMESA-N 1 3 380.374 3.393 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000414905431 565965292 /nfs/dbraw/zinc/96/52/92/565965292.db2.gz NTEZURBBTQEOJU-MRXNPFEDSA-N 1 3 394.357 3.094 20 0 GGADHO COc1cc(C[NH2+][C@H](C)CN)ccc1OCc1ccc(Br)cc1 ZINC000414940387 565965383 /nfs/dbraw/zinc/96/53/83/565965383.db2.gz ZYIMSGJXUSUKJS-CYBMUJFWSA-N 1 3 379.298 3.474 20 0 GGADHO C[C@H](CN[C@H](C)CC(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000237607456 565965464 /nfs/dbraw/zinc/96/54/64/565965464.db2.gz SETJHUOHZALQOM-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)CN1CCCC1 ZINC000237607456 565965469 /nfs/dbraw/zinc/96/54/69/565965469.db2.gz SETJHUOHZALQOM-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO COCC1(CNCc2cccc(Br)c2OC(F)F)CC[NH2+]CC1 ZINC000414974545 565966610 /nfs/dbraw/zinc/96/66/10/565966610.db2.gz MJJBYROJDYQFLA-UHFFFAOYSA-N 1 3 393.272 3.156 20 0 GGADHO COc1cc(C[NH2+][C@@H](C)CN)ccc1OCc1ccc(Br)cc1 ZINC000414949633 565966896 /nfs/dbraw/zinc/96/68/96/565966896.db2.gz ZYIMSGJXUSUKJS-ZDUSSCGKSA-N 1 3 379.298 3.474 20 0 GGADHO Fc1ccc(I)c(F)c1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414972297 565966965 /nfs/dbraw/zinc/96/69/65/565966965.db2.gz XMLWCRIUPOYZTK-SNVBAGLBSA-N 1 3 380.220 3.191 20 0 GGADHO O=C(C1CC[NH2+]CC1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000237669822 565967811 /nfs/dbraw/zinc/96/78/11/565967811.db2.gz VLGMTRJOMORXSD-UHFFFAOYSA-N 1 3 384.351 3.417 20 0 GGADHO [NH3+][C@@H]1CCC[C@H](CNCc2c(F)ccc(I)c2F)C1 ZINC000414990667 565968277 /nfs/dbraw/zinc/96/82/77/565968277.db2.gz AJVBLNFCFXEKRK-VHSXEESVSA-N 1 3 380.220 3.177 20 0 GGADHO Brc1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc2c1OCCCO2 ZINC000415012280 565970904 /nfs/dbraw/zinc/97/09/04/565970904.db2.gz SDBJCBDLIZTNEU-GOEBONIOSA-N 1 3 381.314 3.088 20 0 GGADHO COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000362031724 565975620 /nfs/dbraw/zinc/97/56/20/565975620.db2.gz DOXRHNXGPDAQMP-GJZGRUSLSA-N 1 3 396.373 3.277 20 0 GGADHO COc1ccc([C@H](C)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000362031724 565975622 /nfs/dbraw/zinc/97/56/22/565975622.db2.gz DOXRHNXGPDAQMP-GJZGRUSLSA-N 1 3 396.373 3.277 20 0 GGADHO COc1ccc([C@H](C)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000362031724 565975624 /nfs/dbraw/zinc/97/56/24/565975624.db2.gz DOXRHNXGPDAQMP-GJZGRUSLSA-N 1 3 396.373 3.277 20 0 GGADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000180015535 566025237 /nfs/dbraw/zinc/02/52/37/566025237.db2.gz RZMCWEFAJAHDDE-LJQANCHMSA-N 1 3 380.374 3.444 20 0 GGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246473847 566029666 /nfs/dbraw/zinc/02/96/66/566029666.db2.gz QRMGUPHIGVOTFX-IJEWVQPXSA-N 1 3 382.346 3.404 20 0 GGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246473847 566029668 /nfs/dbraw/zinc/02/96/68/566029668.db2.gz QRMGUPHIGVOTFX-IJEWVQPXSA-N 1 3 382.346 3.404 20 0 GGADHO CC(C)N1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000180460543 566063768 /nfs/dbraw/zinc/06/37/68/566063768.db2.gz RNEMRVLJNNDILQ-UHFFFAOYSA-N 1 3 396.373 3.248 20 0 GGADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000365096894 566082876 /nfs/dbraw/zinc/08/28/76/566082876.db2.gz WZMGISIOKFSSLE-MAUKXSAKSA-N 1 3 380.374 3.138 20 0 GGADHO CC(C)(C)N1CCC([NH2+]CCNC(=O)c2cccc(Br)c2)CC1 ZINC000180834600 566093419 /nfs/dbraw/zinc/09/34/19/566093419.db2.gz CNDYFOTXNOXUFF-UHFFFAOYSA-N 1 3 382.346 3.031 20 0 GGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000180829893 566093455 /nfs/dbraw/zinc/09/34/55/566093455.db2.gz QRMGUPHIGVOTFX-OFQRWUPVSA-N 1 3 382.346 3.404 20 0 GGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000180829893 566093456 /nfs/dbraw/zinc/09/34/56/566093456.db2.gz QRMGUPHIGVOTFX-OFQRWUPVSA-N 1 3 382.346 3.404 20 0 GGADHO CN(Cc1cccc(Br)c1OC[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000261766572 566133246 /nfs/dbraw/zinc/13/32/46/566133246.db2.gz DJSAHSSAKRICSJ-QGZVFWFLSA-N 1 3 397.357 3.438 20 0 GGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccccc2Br)CC1 ZINC000181361897 566136346 /nfs/dbraw/zinc/13/63/46/566136346.db2.gz HQQJDUHRGPUFTQ-HNNXBMFYSA-N 1 3 385.346 3.041 20 0 GGADHO O=C(NC[C@H]1CCCN(CCSc2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261845756 566137763 /nfs/dbraw/zinc/13/77/63/566137763.db2.gz LYGFQDRQVTXANR-QAPCUYQASA-N 1 3 381.973 3.012 20 0 GGADHO O=C(NC[C@H]1CCCN(CCSc2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261845752 566137931 /nfs/dbraw/zinc/13/79/31/566137931.db2.gz LYGFQDRQVTXANR-CRAIPNDOSA-N 1 3 381.973 3.012 20 0 GGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000181459476 566142145 /nfs/dbraw/zinc/14/21/45/566142145.db2.gz IPTWOHIVEQJJFV-IIDMSEBBSA-N 1 3 396.373 3.104 20 0 GGADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000261983723 566143271 /nfs/dbraw/zinc/14/32/71/566143271.db2.gz JEZRYQDQBZERLQ-OAHLLOKOSA-N 1 3 396.373 3.118 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366262005 566144432 /nfs/dbraw/zinc/14/44/32/566144432.db2.gz XCOGLMAVDNBIRR-KBRIMQKVSA-N 1 3 380.330 3.383 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366262005 566144436 /nfs/dbraw/zinc/14/44/36/566144436.db2.gz XCOGLMAVDNBIRR-KBRIMQKVSA-N 1 3 380.330 3.383 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Br)nc1 ZINC000290592326 566180874 /nfs/dbraw/zinc/18/08/74/566180874.db2.gz GOGZAKTXQUNQLF-KDOFPFPSSA-N 1 3 390.325 3.262 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Br)nc1 ZINC000290592326 566180878 /nfs/dbraw/zinc/18/08/78/566180878.db2.gz GOGZAKTXQUNQLF-KDOFPFPSSA-N 1 3 390.325 3.262 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)nc1 ZINC000290592338 566181078 /nfs/dbraw/zinc/18/10/78/566181078.db2.gz GOGZAKTXQUNQLF-RDTXWAMCSA-N 1 3 390.325 3.262 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)nc1 ZINC000290592338 566181083 /nfs/dbraw/zinc/18/10/83/566181083.db2.gz GOGZAKTXQUNQLF-RDTXWAMCSA-N 1 3 390.325 3.262 20 0 GGADHO C[NH+]1CCC(C)(CNCc2ccc(F)cc2I)CC1 ZINC000417982242 566186584 /nfs/dbraw/zinc/18/65/84/566186584.db2.gz NAXXTYJQDRVTFL-UHFFFAOYSA-N 1 3 376.257 3.252 20 0 GGADHO Fc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(I)c1 ZINC000418026297 566191361 /nfs/dbraw/zinc/19/13/61/566191361.db2.gz FKEWPYAUMSCUBU-UHFFFAOYSA-N 1 3 388.268 3.394 20 0 GGADHO CCC([NH3+])(CC)CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418434659 566213561 /nfs/dbraw/zinc/21/35/61/566213561.db2.gz GBPAQWKMZBFRCP-UHFFFAOYSA-N 1 3 399.377 3.040 20 0 GGADHO C[C@@H](C[NH3+])CNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418472663 566214435 /nfs/dbraw/zinc/21/44/35/566214435.db2.gz NQERVDMLRHOLRY-AWEZNQCLSA-N 1 3 387.355 3.196 20 0 GGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000420372308 566274646 /nfs/dbraw/zinc/27/46/46/566274646.db2.gz FARLKMSOXKSOIN-ROUUACIJSA-N 1 3 383.330 3.046 20 0 GGADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)Cc1cccc(Br)c1 ZINC000575813896 566288347 /nfs/dbraw/zinc/28/83/47/566288347.db2.gz VHQDLNIIPVWYHS-QGZVFWFLSA-N 1 3 381.358 3.064 20 0 GGADHO CC(C)[NH+]1CCN(CCCN2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CC1 ZINC000669690389 566321001 /nfs/dbraw/zinc/32/10/01/566321001.db2.gz SALIWEXTVRZFEI-KBPBESRZSA-N 1 3 375.401 3.075 20 0 GGADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536180502 566356663 /nfs/dbraw/zinc/35/66/63/566356663.db2.gz XIQSEMLLZJXIBP-IBGZPJMESA-N 1 3 380.374 3.444 20 0 GGADHO CC(C)N1CCN(CCC[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000626101589 566384371 /nfs/dbraw/zinc/38/43/71/566384371.db2.gz XXMOIWCCJIMPNR-LJQANCHMSA-N 1 3 388.383 3.423 20 0 GGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000483862364 566404870 /nfs/dbraw/zinc/40/48/70/566404870.db2.gz LOQBXOBMEMJLMA-KBPBESRZSA-N 1 3 379.492 3.431 20 0 GGADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000483862364 566404878 /nfs/dbraw/zinc/40/48/78/566404878.db2.gz LOQBXOBMEMJLMA-KBPBESRZSA-N 1 3 379.492 3.431 20 0 GGADHO CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000421891844 566415393 /nfs/dbraw/zinc/41/53/93/566415393.db2.gz YWNATHMQFROFOV-VMBOVVBDSA-N 1 3 387.977 3.162 20 0 GGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)s1 ZINC000671683346 566438362 /nfs/dbraw/zinc/43/83/62/566438362.db2.gz VLQLYRJYJMHALD-ZDUSSCGKSA-N 1 3 377.476 3.255 20 0 GGADHO Brc1cccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422748360 566462821 /nfs/dbraw/zinc/46/28/21/566462821.db2.gz UFBDNXMTGXUKOU-OKZBNKHCSA-N 1 3 379.342 3.227 20 0 GGADHO O=C(NCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422859621 566463445 /nfs/dbraw/zinc/46/34/45/566463445.db2.gz KMUJAUXHHBOEOU-KZNAEPCWSA-N 1 3 394.357 3.079 20 0 GGADHO Cc1nc(-c2ccc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)s2)cs1 ZINC000422799529 566463536 /nfs/dbraw/zinc/46/35/36/566463536.db2.gz XCUKQZUAZYOVLE-YESZJQIVSA-N 1 3 377.579 3.469 20 0 GGADHO Cc1nc(-c2ccc(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)s2)cs1 ZINC000422799528 566463543 /nfs/dbraw/zinc/46/35/43/566463543.db2.gz XCUKQZUAZYOVLE-IXDOHACOSA-N 1 3 377.579 3.469 20 0 GGADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422883861 566464705 /nfs/dbraw/zinc/46/47/05/566464705.db2.gz VTGHYAJZOREPGA-CRAIPNDOSA-N 1 3 381.358 3.475 20 0 GGADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422883862 566464830 /nfs/dbraw/zinc/46/48/30/566464830.db2.gz VTGHYAJZOREPGA-MAUKXSAKSA-N 1 3 381.358 3.475 20 0 GGADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422875662 566465798 /nfs/dbraw/zinc/46/57/98/566465798.db2.gz FNMOBZGBVMGGMV-RCCFBDPRSA-N 1 3 381.358 3.473 20 0 GGADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)COc1ccccc1Br ZINC000422945591 566467137 /nfs/dbraw/zinc/46/71/37/566467137.db2.gz VBSRSQYLHZXQIS-JOCBIADPSA-N 1 3 397.357 3.089 20 0 GGADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1Br ZINC000422991784 566468297 /nfs/dbraw/zinc/46/82/97/566468297.db2.gz BQWUMWSEWBSRTI-BMGDILEWSA-N 1 3 381.358 3.473 20 0 GGADHO Brc1ccc2[nH]cc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000423033865 566469637 /nfs/dbraw/zinc/46/96/37/566469637.db2.gz OZIBIOUKBAQFRK-YQVWRLOYSA-N 1 3 392.341 3.220 20 0 GGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CO)Cc1ccccc1Br ZINC000423070328 566472544 /nfs/dbraw/zinc/47/25/44/566472544.db2.gz COVVBDLQPLPYSL-RIFZZMRRSA-N 1 3 391.353 3.148 20 0 GGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000423075370 566472591 /nfs/dbraw/zinc/47/25/91/566472591.db2.gz OKDCYULGRVOGBO-QKYXUNIQSA-N 1 3 391.353 3.148 20 0 GGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000423075372 566472645 /nfs/dbraw/zinc/47/26/45/566472645.db2.gz OKDCYULGRVOGBO-ZAAXVRCTSA-N 1 3 391.353 3.148 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1Br ZINC000423070694 566473209 /nfs/dbraw/zinc/47/32/09/566473209.db2.gz DFCBTOLMWOQPOZ-QNDJGXFYSA-N 1 3 381.358 3.110 20 0 GGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000423073647 566473888 /nfs/dbraw/zinc/47/38/88/566473888.db2.gz JMXBUJMVFYSMTN-CJNGLKHVSA-N 1 3 392.341 3.113 20 0 GGADHO C[C@H](CCc1ccc(I)cc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423101947 566474935 /nfs/dbraw/zinc/47/49/35/566474935.db2.gz WPXOYXGYBAPZNW-AJSFGMTHSA-N 1 3 384.305 3.485 20 0 GGADHO O=S(=O)(CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423145079 566478543 /nfs/dbraw/zinc/47/85/43/566478543.db2.gz IZWZSXSAUBLVJL-CEXWTWQISA-N 1 3 384.973 3.404 20 0 GGADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1Br ZINC000423152691 566479005 /nfs/dbraw/zinc/47/90/05/566479005.db2.gz GHXMCKOMONKTER-KVPLUYHFSA-N 1 3 395.385 3.419 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cc(Br)ccc1F ZINC000423165704 566481090 /nfs/dbraw/zinc/48/10/90/566481090.db2.gz URIDPXQEZCOEHO-KRDRHDLTSA-N 1 3 399.348 3.250 20 0 GGADHO Fc1cccc([C@H](NCCN2CC[NH2+]CC2)c2cccc(Br)c2)c1 ZINC000423201183 566482619 /nfs/dbraw/zinc/48/26/19/566482619.db2.gz HVVQDXVACMZYAE-LJQANCHMSA-N 1 3 392.316 3.172 20 0 GGADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423203163 566482951 /nfs/dbraw/zinc/48/29/51/566482951.db2.gz MHHRBOQKVHYNBD-LLVKDONJSA-N 1 3 380.252 3.024 20 0 GGADHO COc1ccc([C@H](NCCCN2CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423191983 566482965 /nfs/dbraw/zinc/48/29/65/566482965.db2.gz UWYVGVCOSMUHKZ-GOSISDBHSA-N 1 3 384.362 3.040 20 0 GGADHO FC(F)(F)[C@@H](CN[C@@H]1CCSc2c(Cl)cccc21)N1CC[NH2+]CC1 ZINC000423403669 566488877 /nfs/dbraw/zinc/48/88/77/566488877.db2.gz ZHHVEXFYCNTUMB-ZIAGYGMSSA-N 1 3 379.879 3.303 20 0 GGADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000578231458 566503679 /nfs/dbraw/zinc/50/36/79/566503679.db2.gz YWQJBDINWLVCEV-OGTVAZLGSA-N 1 3 387.325 3.434 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000651263860 566505768 /nfs/dbraw/zinc/50/57/68/566505768.db2.gz PEZQZDWNTCBLTD-UHFFFAOYSA-N 1 3 380.945 3.029 20 0 GGADHO Cc1cc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)sc1Br ZINC000512050877 566508664 /nfs/dbraw/zinc/50/86/64/566508664.db2.gz FGTAELLBTWPOTD-OLZOCXBDSA-N 1 3 388.375 3.057 20 0 GGADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Cl)c(Br)c2)CC1 ZINC000538413085 566511709 /nfs/dbraw/zinc/51/17/09/566511709.db2.gz UDLLWVBKTKLFMZ-UHFFFAOYSA-N 1 3 375.738 3.427 20 0 GGADHO C[C@@H]1CC2(CN1CC(=O)NCCc1cccc(Cl)c1Cl)CC[NH2+]CC2 ZINC000424294431 566526455 /nfs/dbraw/zinc/52/64/55/566526455.db2.gz QIOFJMMLHFUWFH-CQSZACIVSA-N 1 3 384.351 3.116 20 0 GGADHO Cc1cc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1Br ZINC000424292922 566527254 /nfs/dbraw/zinc/52/72/54/566527254.db2.gz OVJFQJWVOHHPMP-AWEZNQCLSA-N 1 3 380.330 3.160 20 0 GGADHO C[C@@H]1CC2(CN1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)CC[NH2+]CC2 ZINC000424301557 566527560 /nfs/dbraw/zinc/52/75/60/566527560.db2.gz XQCSAKADAOAZBN-CQSZACIVSA-N 1 3 384.351 3.416 20 0 GGADHO CS(=O)(=O)c1cccc(C[NH2+]CC2CCN(Cc3cccs3)CC2)c1 ZINC000449107550 566529967 /nfs/dbraw/zinc/52/99/67/566529967.db2.gz QKXLXYVYNYJOEA-UHFFFAOYSA-N 1 3 378.563 3.153 20 0 GGADHO CC1CCN(C[C@@H](O)C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449128681 566531527 /nfs/dbraw/zinc/53/15/27/566531527.db2.gz ZUNRMUJUBHKTAH-INIZCTEOSA-N 1 3 392.341 3.180 20 0 GGADHO C[C@@H](CN(C)C)NC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000512441167 566535430 /nfs/dbraw/zinc/53/54/30/566535430.db2.gz LTPPGSUBMKONFW-AWEZNQCLSA-N 1 3 389.371 3.407 20 0 GGADHO CCN1CCN(CCC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449220460 566537696 /nfs/dbraw/zinc/53/76/96/566537696.db2.gz QNHHUDDZOMVWRG-UHFFFAOYSA-N 1 3 398.364 3.451 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccc(Cl)s1 ZINC000465695666 566541095 /nfs/dbraw/zinc/54/10/95/566541095.db2.gz ZNBKQXZBLNUUSB-HNNXBMFYSA-N 1 3 386.993 3.002 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccc(Cl)s1 ZINC000465695666 566541099 /nfs/dbraw/zinc/54/10/99/566541099.db2.gz ZNBKQXZBLNUUSB-HNNXBMFYSA-N 1 3 386.993 3.002 20 0 GGADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000673599680 566545108 /nfs/dbraw/zinc/54/51/08/566545108.db2.gz CKMBYRRPBSOSIK-CQSZACIVSA-N 1 3 386.353 3.135 20 0 GGADHO CN1CCN(CC[NH2+]Cc2ccnc3c(Br)cccc23)CC1(C)C ZINC000449301661 566546355 /nfs/dbraw/zinc/54/63/55/566546355.db2.gz HUJDOTDYWLTTLU-UHFFFAOYSA-N 1 3 391.357 3.113 20 0 GGADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCn2cc(Br)cn2)CC1 ZINC000449323485 566548665 /nfs/dbraw/zinc/54/86/65/566548665.db2.gz VPDUNJKEEAKSRQ-INIZCTEOSA-N 1 3 391.357 3.331 20 0 GGADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000539308165 566572380 /nfs/dbraw/zinc/57/23/80/566572380.db2.gz HVCFSAOIXILTKM-SUYBPPKGSA-N 1 3 385.371 3.278 20 0 GGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000449603368 566582497 /nfs/dbraw/zinc/58/24/97/566582497.db2.gz VYSVVDMPOQOGAP-QGZVFWFLSA-N 1 3 383.374 3.373 20 0 GGADHO C[N@H+]1CC=C(CN[C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000539507297 566585496 /nfs/dbraw/zinc/58/54/96/566585496.db2.gz LDIVRUGUKGDDSM-INIZCTEOSA-N 1 3 398.288 3.356 20 0 GGADHO C[N@@H+]1CC=C(CN[C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000539507297 566585504 /nfs/dbraw/zinc/58/55/04/566585504.db2.gz LDIVRUGUKGDDSM-INIZCTEOSA-N 1 3 398.288 3.356 20 0 GGADHO Brc1cnn(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1 ZINC000560580582 566638824 /nfs/dbraw/zinc/63/88/24/566638824.db2.gz KVUIMZZSTNZZAT-BHIYHBOVSA-N 1 3 389.341 3.146 20 0 GGADHO Brc1cnn(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000560580582 566638829 /nfs/dbraw/zinc/63/88/29/566638829.db2.gz KVUIMZZSTNZZAT-BHIYHBOVSA-N 1 3 389.341 3.146 20 0 GGADHO Brc1cnn(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000560580582 566638834 /nfs/dbraw/zinc/63/88/34/566638834.db2.gz KVUIMZZSTNZZAT-BHIYHBOVSA-N 1 3 389.341 3.146 20 0 GGADHO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000540416454 566650221 /nfs/dbraw/zinc/65/02/21/566650221.db2.gz NLZOOPRKHBPEGK-LRDDRELGSA-N 1 3 385.371 3.278 20 0 GGADHO O[C@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000629561343 566665492 /nfs/dbraw/zinc/66/54/92/566665492.db2.gz HTXCXMCFNMLSNS-QGZVFWFLSA-N 1 3 386.367 3.004 20 0 GGADHO O[C@@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000629561335 566666195 /nfs/dbraw/zinc/66/61/95/566666195.db2.gz HTXCXMCFNMLSNS-KRWDZBQOSA-N 1 3 386.367 3.004 20 0 GGADHO O[C@@H](CNC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000629574371 566667740 /nfs/dbraw/zinc/66/77/40/566667740.db2.gz NHIXZHHGCWUTNA-IBGZPJMESA-N 1 3 386.367 3.004 20 0 GGADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000467865020 566672377 /nfs/dbraw/zinc/67/23/77/566672377.db2.gz PTXUGIFWPRVNFL-CQSZACIVSA-N 1 3 382.346 3.042 20 0 GGADHO Cc1cccc(Br)c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000515931855 566739367 /nfs/dbraw/zinc/73/93/67/566739367.db2.gz BGKFIMIAMHHAHX-UHFFFAOYSA-N 1 3 394.357 3.046 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@@H](C)O1 ZINC000581053817 566746582 /nfs/dbraw/zinc/74/65/82/566746582.db2.gz NLUSKVMNASCYCN-HUUCEWRRSA-N 1 3 395.345 3.076 20 0 GGADHO C[NH+]1CCC(N2CC[C@@H](N[C@@H]3CCc4c3c(Br)ccc4F)C2)CC1 ZINC000677654490 566758664 /nfs/dbraw/zinc/75/86/64/566758664.db2.gz PTUHNGNJZVXTKR-FZKQIMNGSA-N 1 3 396.348 3.334 20 0 GGADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000581523640 566784539 /nfs/dbraw/zinc/78/45/39/566784539.db2.gz KCTLDZCRPYJNPM-RHSMWYFYSA-N 1 3 381.973 3.444 20 0 GGADHO CC(C)CN1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000581695138 566799880 /nfs/dbraw/zinc/79/98/80/566799880.db2.gz VBVSTIVCOUTQOW-UHFFFAOYSA-N 1 3 382.346 3.488 20 0 GGADHO C[NH+](C)CCN1CCC(NCc2oc3ccccc3c2Br)CC1 ZINC000655717146 566838077 /nfs/dbraw/zinc/83/80/77/566838077.db2.gz VPBMAMVAKGDXKT-UHFFFAOYSA-N 1 3 380.330 3.311 20 0 GGADHO CN1CCCN(CCC[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000679202193 566840842 /nfs/dbraw/zinc/84/08/42/566840842.db2.gz AGAGFKZCIMYOFZ-UHFFFAOYSA-N 1 3 391.357 3.115 20 0 GGADHO Cc1nn(-c2ccccc2Br)cc1CNCC1=CC[N@H+](C)CC1 ZINC000655756797 566844732 /nfs/dbraw/zinc/84/47/32/566844732.db2.gz YMPDJLWDRRKVGL-UHFFFAOYSA-N 1 3 375.314 3.295 20 0 GGADHO Cc1nn(-c2ccccc2Br)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000655756797 566844737 /nfs/dbraw/zinc/84/47/37/566844737.db2.gz YMPDJLWDRRKVGL-UHFFFAOYSA-N 1 3 375.314 3.295 20 0 GGADHO Cc1nn(-c2cccc(Br)c2)cc1CNCC1=CC[N@H+](C)CC1 ZINC000655755667 566845857 /nfs/dbraw/zinc/84/58/57/566845857.db2.gz HUDJWEPNNIDNOB-UHFFFAOYSA-N 1 3 375.314 3.295 20 0 GGADHO Cc1nn(-c2cccc(Br)c2)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000655755667 566845866 /nfs/dbraw/zinc/84/58/66/566845866.db2.gz HUDJWEPNNIDNOB-UHFFFAOYSA-N 1 3 375.314 3.295 20 0 GGADHO [NH3+]C[C@H]1CN(CCC(=O)Nc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000563154562 566859885 /nfs/dbraw/zinc/85/98/85/566859885.db2.gz PSGZTOHEUFCGME-ZDUSSCGKSA-N 1 3 386.323 3.009 20 0 GGADHO CC(C)(C)N1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429429083 566930678 /nfs/dbraw/zinc/93/06/78/566930678.db2.gz SDAWGMSNZCLEAK-MRXNPFEDSA-N 1 3 383.374 3.453 20 0 GGADHO CC(C)(C)[NH+]1CCC(NC[C@H](CO)Cc2cccc(Br)c2)CC1 ZINC000429429083 566930684 /nfs/dbraw/zinc/93/06/84/566930684.db2.gz SDAWGMSNZCLEAK-MRXNPFEDSA-N 1 3 383.374 3.453 20 0 GGADHO CC(C)(C)N1CCC([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1 ZINC000429451373 566931635 /nfs/dbraw/zinc/93/16/35/566931635.db2.gz MMZXTTPZOJNTDJ-OAHLLOKOSA-N 1 3 383.374 3.453 20 0 GGADHO CC(C)(C)[NH+]1CCC(NC[C@H](CO)Cc2ccccc2Br)CC1 ZINC000429451373 566931640 /nfs/dbraw/zinc/93/16/40/566931640.db2.gz MMZXTTPZOJNTDJ-OAHLLOKOSA-N 1 3 383.374 3.453 20 0 GGADHO CC(C)(C)N1CCC([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429437524 566931914 /nfs/dbraw/zinc/93/19/14/566931914.db2.gz NZMDEMYWGBYYKA-MRXNPFEDSA-N 1 3 383.374 3.453 20 0 GGADHO CC(C)(C)[NH+]1CCC(NC[C@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429437524 566931922 /nfs/dbraw/zinc/93/19/22/566931922.db2.gz NZMDEMYWGBYYKA-MRXNPFEDSA-N 1 3 383.374 3.453 20 0 GGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429437522 566932275 /nfs/dbraw/zinc/93/22/75/566932275.db2.gz NZMDEMYWGBYYKA-INIZCTEOSA-N 1 3 383.374 3.453 20 0 GGADHO CC(C)(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccc(Br)cc2)CC1 ZINC000429437522 566932279 /nfs/dbraw/zinc/93/22/79/566932279.db2.gz NZMDEMYWGBYYKA-INIZCTEOSA-N 1 3 383.374 3.453 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC(NCC2([NH3+])CCCC2)CC1 ZINC000656788756 566950489 /nfs/dbraw/zinc/95/04/89/566950489.db2.gz CAMJEUCWMQIEFE-UHFFFAOYSA-N 1 3 394.357 3.223 20 0 GGADHO Cc1c(Br)cc(CNCCOCC[NH+](C)C)cc1Br ZINC000564311562 566963740 /nfs/dbraw/zinc/96/37/40/566963740.db2.gz DCEVBUYEDNLTGZ-UHFFFAOYSA-N 1 3 394.151 3.188 20 0 GGADHO Cc1cc(Br)cc2c1[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CC2 ZINC000493959636 566964527 /nfs/dbraw/zinc/96/45/27/566964527.db2.gz FJCMNGCDWAPABT-GOSISDBHSA-N 1 3 380.374 3.360 20 0 GGADHO Cc1c([C@@H](C)NCCC2=CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000521226007 567050701 /nfs/dbraw/zinc/05/07/01/567050701.db2.gz YPXQSTDCHZWFMW-CYBMUJFWSA-N 1 3 390.329 3.299 20 0 GGADHO Cc1c([C@H](C)NCCC2=CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000521226008 567050938 /nfs/dbraw/zinc/05/09/38/567050938.db2.gz YPXQSTDCHZWFMW-ZDUSSCGKSA-N 1 3 390.329 3.299 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453073509 567050994 /nfs/dbraw/zinc/05/09/94/567050994.db2.gz GRMNJVCQSZACJN-HXUWFJFHSA-N 1 3 394.401 3.386 20 0 GGADHO CCN1CCN(CCC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453081845 567051270 /nfs/dbraw/zinc/05/12/70/567051270.db2.gz MHDNFOZDQIYLGK-FQEVSTJZSA-N 1 3 394.401 3.387 20 0 GGADHO CN1CCCN(CCC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453106250 567055071 /nfs/dbraw/zinc/05/50/71/567055071.db2.gz YKIIIFQMEGEDGL-FQEVSTJZSA-N 1 3 394.401 3.387 20 0 GGADHO CN1CCN(CC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1(C)C ZINC000453226432 567065796 /nfs/dbraw/zinc/06/57/96/567065796.db2.gz VHARDIUNPNGPIG-IBGZPJMESA-N 1 3 394.401 3.386 20 0 GGADHO Brc1cccc(-c2c[nH]c(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)c1 ZINC000521583208 567067742 /nfs/dbraw/zinc/06/77/42/567067742.db2.gz MUBQFTNPSFKOBS-JKSUJKDBSA-N 1 3 375.314 3.317 20 0 GGADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453404738 567087216 /nfs/dbraw/zinc/08/72/16/567087216.db2.gz PPWYOOCVYDVBLK-NSHDSACASA-N 1 3 394.368 3.166 20 0 GGADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453404738 567087221 /nfs/dbraw/zinc/08/72/21/567087221.db2.gz PPWYOOCVYDVBLK-NSHDSACASA-N 1 3 394.368 3.166 20 0 GGADHO COc1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(Br)c1O ZINC000657812485 567097933 /nfs/dbraw/zinc/09/79/33/567097933.db2.gz DNOWHZIDVVXILY-UHFFFAOYSA-N 1 3 383.330 3.375 20 0 GGADHO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCN1CCN(C)CC1 ZINC000657837026 567099901 /nfs/dbraw/zinc/09/99/01/567099901.db2.gz XGGLKXGJDPYMPN-LJQANCHMSA-N 1 3 382.390 3.387 20 0 GGADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000565834279 567104826 /nfs/dbraw/zinc/10/48/26/567104826.db2.gz DTYKUCAZSXKNHS-JKSUJKDBSA-N 1 3 384.351 3.273 20 0 GGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000566245415 567141999 /nfs/dbraw/zinc/14/19/99/567141999.db2.gz QSOWUFCSBDIARL-IMJJTQAJSA-N 1 3 384.351 3.492 20 0 GGADHO Cc1cc(Br)cn2cc(CCNC3CC[NH+](CC4CC4)CC3)nc12 ZINC000546931405 567172082 /nfs/dbraw/zinc/17/20/82/567172082.db2.gz XGNUTGBZWJGOFN-UHFFFAOYSA-N 1 3 391.357 3.412 20 0 GGADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524627728 567205823 /nfs/dbraw/zinc/20/58/23/567205823.db2.gz DPTHSNDYCXULNB-AWEZNQCLSA-N 1 3 389.371 3.059 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000567159502 567223817 /nfs/dbraw/zinc/22/38/17/567223817.db2.gz OYCJUUDAWXBUES-FGTMMUONSA-N 1 3 394.357 3.079 20 0 GGADHO O[C@H](C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)CN1CCCC1 ZINC000567307645 567234672 /nfs/dbraw/zinc/23/46/72/567234672.db2.gz OAMONHRGHVLORG-RDTXWAMCSA-N 1 3 392.341 3.354 20 0 GGADHO C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1c(Cl)cccc1Cl ZINC000525447307 567250368 /nfs/dbraw/zinc/25/03/68/567250368.db2.gz ZERWBAXSIOJAOK-CQSZACIVSA-N 1 3 389.371 3.232 20 0 GGADHO Cc1ccc(C[C@H](CO)CNC2CC[NH+](CC3CC3)CC2)cc1Br ZINC000567681094 567267945 /nfs/dbraw/zinc/26/79/45/567267945.db2.gz NRTRLJXSEUYTJJ-SFHVURJKSA-N 1 3 395.385 3.373 20 0 GGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000567681649 567267999 /nfs/dbraw/zinc/26/79/99/567267999.db2.gz XWIXNWSGYYWQSJ-ZBFHGGJFSA-N 1 3 375.340 3.443 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000526172428 567294190 /nfs/dbraw/zinc/29/41/90/567294190.db2.gz RCHOQCYBRKRGTP-UHFFFAOYSA-N 1 3 380.842 3.316 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)cc1Cl ZINC000526134707 567294270 /nfs/dbraw/zinc/29/42/70/567294270.db2.gz LQOQHFLWESVWKX-UHFFFAOYSA-N 1 3 391.741 3.060 20 0 GGADHO Cc1cc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Br ZINC000527381535 567335399 /nfs/dbraw/zinc/33/53/99/567335399.db2.gz HWUXWYRXEOYJEW-UHFFFAOYSA-N 1 3 385.350 3.023 20 0 GGADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(s2)CCNC3)[C@H]1c1cccs1 ZINC000662474177 567439752 /nfs/dbraw/zinc/43/97/52/567439752.db2.gz UBOUFBWPEBGTDC-UGSOOPFHSA-N 1 3 375.563 3.268 20 0 GGADHO C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(s2)CCNC3)[C@H]1c1cccs1 ZINC000662474177 567439757 /nfs/dbraw/zinc/43/97/57/567439757.db2.gz UBOUFBWPEBGTDC-UGSOOPFHSA-N 1 3 375.563 3.268 20 0 GGADHO CCN(CCN1CC[NH2+]CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000569971859 567447622 /nfs/dbraw/zinc/44/76/22/567447622.db2.gz JAMZPLWIBQSPTC-MRXNPFEDSA-N 1 3 384.387 3.213 20 0 GGADHO Cc1c(Br)cccc1C[C@@H](CO)CNC1CC[NH+](CC2CC2)CC1 ZINC000570787884 567513440 /nfs/dbraw/zinc/51/34/40/567513440.db2.gz ACDSFGLGPHOQGP-QGZVFWFLSA-N 1 3 395.385 3.373 20 0 GGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479333307 567524690 /nfs/dbraw/zinc/52/46/90/567524690.db2.gz WNYUUUZUADLOSD-LJQANCHMSA-N 1 3 380.374 3.444 20 0 GGADHO Ic1ccc2c(c1)[C@H](NC1CC[NH+](C3CC3)CC1)CC2 ZINC000595003436 567534073 /nfs/dbraw/zinc/53/40/73/567534073.db2.gz GPXDFZYGDRQITN-QGZVFWFLSA-N 1 3 382.289 3.495 20 0 GGADHO Ic1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000595008521 567534448 /nfs/dbraw/zinc/53/44/48/567534448.db2.gz UTWRFRZZEJBLGD-SJKOYZFVSA-N 1 3 382.289 3.352 20 0 GGADHO Ic1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000595008521 567534456 /nfs/dbraw/zinc/53/44/56/567534456.db2.gz UTWRFRZZEJBLGD-SJKOYZFVSA-N 1 3 382.289 3.352 20 0 GGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1ccc2cc(Br)ccc2c1 ZINC000571275867 567550292 /nfs/dbraw/zinc/55/02/92/567550292.db2.gz WHWBTTKEYZYJNW-BKTGTZMESA-N 1 3 393.325 3.323 20 0 GGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1ccc2cc(Br)ccc2c1 ZINC000571275868 567550414 /nfs/dbraw/zinc/55/04/14/567550414.db2.gz WHWBTTKEYZYJNW-FASAQXTFSA-N 1 3 393.325 3.323 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(Cl)ccc1Cl ZINC000505789904 567597249 /nfs/dbraw/zinc/59/72/49/567597249.db2.gz NOKDDQXBTLHXSN-QGZVFWFLSA-N 1 3 386.367 3.410 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(Cl)ccc1Cl ZINC000505789904 567597252 /nfs/dbraw/zinc/59/72/52/567597252.db2.gz NOKDDQXBTLHXSN-QGZVFWFLSA-N 1 3 386.367 3.410 20 0 GGADHO OC[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)c(F)c1 ZINC000459561161 567638089 /nfs/dbraw/zinc/63/80/89/567638089.db2.gz QYEQSVIMXUQDSZ-SFHVURJKSA-N 1 3 394.288 3.275 20 0 GGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000459691564 567651866 /nfs/dbraw/zinc/65/18/66/567651866.db2.gz GDZFXODXVZEUQK-OAHLLOKOSA-N 1 3 387.337 3.203 20 0 GGADHO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC(C[NH+](C)C)CC1 ZINC000481069575 567655404 /nfs/dbraw/zinc/65/54/04/567655404.db2.gz FTKZOIYSSXRQIE-OAHLLOKOSA-N 1 3 396.373 3.070 20 0 GGADHO COc1cc(Br)c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000572763217 567662438 /nfs/dbraw/zinc/66/24/38/567662438.db2.gz TXEHPXYAUJTQPP-UONOGXRCSA-N 1 3 383.330 3.288 20 0 GGADHO COc1cc(Br)c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000572763218 567663384 /nfs/dbraw/zinc/66/33/84/567663384.db2.gz TXEHPXYAUJTQPP-ZIAGYGMSSA-N 1 3 383.330 3.288 20 0 GGADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1ccc(Br)c(F)c1F ZINC000623412662 567707185 /nfs/dbraw/zinc/70/71/85/567707185.db2.gz UWNQMJAEEDWVPU-ZDUSSCGKSA-N 1 3 377.273 3.054 20 0 GGADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1ccc(Br)c(F)c1F ZINC000623412662 567707191 /nfs/dbraw/zinc/70/71/91/567707191.db2.gz UWNQMJAEEDWVPU-ZDUSSCGKSA-N 1 3 377.273 3.054 20 0 GGADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1ccc(Br)c(F)c1F ZINC000623412661 567707466 /nfs/dbraw/zinc/70/74/66/567707466.db2.gz UWNQMJAEEDWVPU-CYBMUJFWSA-N 1 3 377.273 3.054 20 0 GGADHO OC[C@H]1CCC[N@H+]1CCCCNCc1ccc(Br)c(F)c1F ZINC000623412661 567707473 /nfs/dbraw/zinc/70/74/73/567707473.db2.gz UWNQMJAEEDWVPU-CYBMUJFWSA-N 1 3 377.273 3.054 20 0 GGADHO CN1CCN(CC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1(C)C ZINC000442866626 567713941 /nfs/dbraw/zinc/71/39/41/567713941.db2.gz ITJUMNIAWWOZLW-SFHVURJKSA-N 1 3 380.374 3.442 20 0 GGADHO CN1CCN(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1(C)C ZINC000442871140 567714562 /nfs/dbraw/zinc/71/45/62/567714562.db2.gz HFEZKNLHIITNMQ-QGZVFWFLSA-N 1 3 384.337 3.191 20 0 GGADHO CN1CCN(CC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1(C)C ZINC000442872538 567714680 /nfs/dbraw/zinc/71/46/80/567714680.db2.gz JRZNMYMEUDFZFG-GOSISDBHSA-N 1 3 380.374 3.442 20 0 GGADHO CN1CCN(CC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1(C)C ZINC000442866625 567714755 /nfs/dbraw/zinc/71/47/55/567714755.db2.gz ITJUMNIAWWOZLW-GOSISDBHSA-N 1 3 380.374 3.442 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121224 567760554 /nfs/dbraw/zinc/76/05/54/567760554.db2.gz QFPJQJPQYNMWFY-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121224 567760558 /nfs/dbraw/zinc/76/05/58/567760558.db2.gz QFPJQJPQYNMWFY-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121224 567760560 /nfs/dbraw/zinc/76/05/60/567760560.db2.gz QFPJQJPQYNMWFY-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO Brc1cncc(Br)c1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798836 567801734 /nfs/dbraw/zinc/80/17/34/567801734.db2.gz XZSURWKBYADAND-GMTAPVOTSA-N 1 3 389.135 3.084 20 0 GGADHO C[NH2+]CC1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000647837695 567803433 /nfs/dbraw/zinc/80/34/33/567803433.db2.gz MOIUGRWXTGSHHE-UHFFFAOYSA-N 1 3 375.314 3.338 20 0 GGADHO CC[NH+]1CCC(CN[C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000575058004 567811257 /nfs/dbraw/zinc/81/12/57/567811257.db2.gz FSDVBTLZJSUIIK-LLVKDONJSA-N 1 3 394.368 3.023 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc2ccccc2s1 ZINC000058223736 570721437 /nfs/dbraw/zinc/72/14/37/570721437.db2.gz ZVZDMWIYLJOOKM-KRWDZBQOSA-N 1 3 388.581 3.103 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc2ccccc2s1 ZINC000058223736 570721441 /nfs/dbraw/zinc/72/14/41/570721441.db2.gz ZVZDMWIYLJOOKM-KRWDZBQOSA-N 1 3 388.581 3.103 20 0 GGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CCN(CCCC(=O)[O-])CC2)C1 ZINC000833614399 605219107 /nfs/dbraw/zinc/21/91/07/605219107.db2.gz LZAODAYSCDQJME-LJQANCHMSA-N 1 3 387.568 3.337 20 0 GGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCN(CCCC(=O)[O-])CC2)C1 ZINC000833614399 605219111 /nfs/dbraw/zinc/21/91/11/605219111.db2.gz LZAODAYSCDQJME-LJQANCHMSA-N 1 3 387.568 3.337 20 0 GGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000833614335 605219833 /nfs/dbraw/zinc/21/98/33/605219833.db2.gz GHKIILOAAFWDEK-LJQANCHMSA-N 1 3 387.568 3.480 20 0 GGADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000833614335 605219836 /nfs/dbraw/zinc/21/98/36/605219836.db2.gz GHKIILOAAFWDEK-LJQANCHMSA-N 1 3 387.568 3.480 20 0 GGADHO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824882897 607812562 /nfs/dbraw/zinc/81/25/62/607812562.db2.gz DFQBDKJKLAEPIT-PXNSSMCTSA-N 1 3 376.508 3.257 20 0 GGADHO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[N@H+]1Cc1ccccc1 ZINC000824882897 607812563 /nfs/dbraw/zinc/81/25/63/607812563.db2.gz DFQBDKJKLAEPIT-PXNSSMCTSA-N 1 3 376.508 3.257 20 0 GGADHO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824882897 607812564 /nfs/dbraw/zinc/81/25/64/607812564.db2.gz DFQBDKJKLAEPIT-PXNSSMCTSA-N 1 3 376.508 3.257 20 0 GGADHO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C[N@H+]1Cc1ccccc1 ZINC000824882897 607812565 /nfs/dbraw/zinc/81/25/65/607812565.db2.gz DFQBDKJKLAEPIT-PXNSSMCTSA-N 1 3 376.508 3.257 20 0 GGADHO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824882896 607812571 /nfs/dbraw/zinc/81/25/71/607812571.db2.gz DFQBDKJKLAEPIT-FXAWDEMLSA-N 1 3 376.508 3.257 20 0 GGADHO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[N@H+]1Cc1ccccc1 ZINC000824882896 607812572 /nfs/dbraw/zinc/81/25/72/607812572.db2.gz DFQBDKJKLAEPIT-FXAWDEMLSA-N 1 3 376.508 3.257 20 0 GGADHO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824882896 607812573 /nfs/dbraw/zinc/81/25/73/607812573.db2.gz DFQBDKJKLAEPIT-FXAWDEMLSA-N 1 3 376.508 3.257 20 0 GGADHO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C[N@H+]1Cc1ccccc1 ZINC000824882896 607812574 /nfs/dbraw/zinc/81/25/74/607812574.db2.gz DFQBDKJKLAEPIT-FXAWDEMLSA-N 1 3 376.508 3.257 20 0 GGADHO C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825918453 608420390 /nfs/dbraw/zinc/42/03/90/608420390.db2.gz FKNXSMICKRGMJJ-UHFFFAOYSA-N 1 3 395.486 3.139 20 0 GGADHO C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825918453 608420392 /nfs/dbraw/zinc/42/03/92/608420392.db2.gz FKNXSMICKRGMJJ-UHFFFAOYSA-N 1 3 395.486 3.139 20 0 GGADHO COc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)N2CCCC2)cc1 ZINC000053250494 1406343747 /nfs/dbraw/zinc/34/37/47/1406343747.db2.gz UFNWLTUOPZPGHG-NRFANRHFSA-N 1 3 388.556 3.004 20 0 GGADHO CN(CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1F)Cc1ccccc1 ZINC000054761336 1406820043 /nfs/dbraw/zinc/82/00/43/1406820043.db2.gz YIKWKSGQBPMMKJ-UHFFFAOYSA-N 1 3 386.515 3.031 20 0 GGADHO CC1(C)CC(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC(C)(C)[NH2+]1 ZINC000042910927 1403672629 /nfs/dbraw/zinc/67/26/29/1403672629.db2.gz FMWURNAKJQEFDG-MRXNPFEDSA-N 1 3 378.586 3.493 20 0 GGADHO O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000043038010 1403694909 /nfs/dbraw/zinc/69/49/09/1403694909.db2.gz HBIBSQUESBCQQN-SFHVURJKSA-N 1 3 378.586 3.497 20 0 GGADHO CN(C)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccsc1 ZINC000047777839 1404940090 /nfs/dbraw/zinc/94/00/90/1404940090.db2.gz LQMFNRLOAIZFLP-QZTJIDSGSA-N 1 3 390.553 3.470 20 0 GGADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(OC)c1 ZINC000047884951 1404983717 /nfs/dbraw/zinc/98/37/17/1404983717.db2.gz OHUPCSYEWNNTPY-OAQYLSRUSA-N 1 3 390.572 3.250 20 0 GGADHO CC(C)NC(=O)Nc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000048785047 1405291631 /nfs/dbraw/zinc/29/16/31/1405291631.db2.gz NSJVCHJKEZRXKQ-UHFFFAOYSA-N 1 3 384.524 3.447 20 0 GGADHO C[NH+](C)[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000049795164 1405418314 /nfs/dbraw/zinc/41/83/14/1405418314.db2.gz OJLWYWCGYXBTNI-HSZRJFAPSA-N 1 3 394.563 3.077 20 0 GGADHO C[NH+](C)[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000049795163 1405418466 /nfs/dbraw/zinc/41/84/66/1405418466.db2.gz OJLWYWCGYXBTNI-QHCPKHFHSA-N 1 3 394.563 3.077 20 0 GGADHO CC(C)c1ccc(OCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797485 1405654799 /nfs/dbraw/zinc/65/47/99/1405654799.db2.gz XGUWKYBZBZFMKF-UHFFFAOYSA-N 1 3 387.568 3.254 20 0 GGADHO COc1ccc(CCCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797003 1405655583 /nfs/dbraw/zinc/65/55/83/1405655583.db2.gz WZMJNKDRMYWHCY-UHFFFAOYSA-N 1 3 387.568 3.083 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc(-c4ccccc4)[nH]3)CC2)CC1 ZINC000050797254 1405656111 /nfs/dbraw/zinc/65/61/11/1405656111.db2.gz JSWCNRNFECGOLT-UHFFFAOYSA-N 1 3 394.563 3.289 20 0 GGADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1-n1cccc1 ZINC000050799785 1405656758 /nfs/dbraw/zinc/65/67/58/1405656758.db2.gz URILWNRRQZDEEV-UHFFFAOYSA-N 1 3 380.536 3.074 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)CC2)CC1 ZINC000050797758 1405657021 /nfs/dbraw/zinc/65/70/21/1405657021.db2.gz GVGLFHWSPZSBOP-DLBZAZTESA-N 1 3 375.479 3.030 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)CC2)CC1 ZINC000050799999 1405657141 /nfs/dbraw/zinc/65/71/41/1405657141.db2.gz MQVIZEVMORRNGE-MOPGFXCFSA-N 1 3 375.944 3.118 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CCCc3ccc(Cl)cc3)CC2)CC1 ZINC000050797845 1405657814 /nfs/dbraw/zinc/65/78/14/1405657814.db2.gz QTHVOYARFXSTTK-UHFFFAOYSA-N 1 3 377.960 3.338 20 0 GGADHO Cc1ccc2[nH]c(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c(Cl)c2c1 ZINC000050798531 1405658440 /nfs/dbraw/zinc/65/84/40/1405658440.db2.gz ZDVPGOKQPARJPB-UHFFFAOYSA-N 1 3 388.943 3.418 20 0 GGADHO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050803107 1405659365 /nfs/dbraw/zinc/65/93/65/1405659365.db2.gz DQENOIJBBTVRTG-OAHLLOKOSA-N 1 3 396.000 3.495 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CSCc3cccc(Cl)c3)CC2)CC1 ZINC000050802975 1405659772 /nfs/dbraw/zinc/65/97/72/1405659772.db2.gz MYQMSAPDVICVSU-UHFFFAOYSA-N 1 3 396.000 3.248 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3csc(-c4ccccc4)n3)CC2)CC1 ZINC000050802244 1405660484 /nfs/dbraw/zinc/66/04/84/1405660484.db2.gz VQURPYVEWRQGTD-UHFFFAOYSA-N 1 3 398.576 3.027 20 0 GGADHO Cc1nn(Cc2ccccc2)c(C)c1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000051189707 1405740729 /nfs/dbraw/zinc/74/07/29/1405740729.db2.gz SDSNEDYMWUVLBD-UHFFFAOYSA-N 1 3 395.595 3.196 20 0 GGADHO CN1CCC([NH+]2CCC(NCc3cccc(OCc4ccccn4)c3)CC2)CC1 ZINC000051189683 1405740910 /nfs/dbraw/zinc/74/09/10/1405740910.db2.gz XIOKZTJQGLWEEZ-UHFFFAOYSA-N 1 3 394.563 3.309 20 0 GGADHO CC(C)[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000051759232 1405860559 /nfs/dbraw/zinc/86/05/59/1405860559.db2.gz QDLLUTFSOAMMFR-OAQYLSRUSA-N 1 3 390.547 3.381 20 0 GGADHO C[C@H](Cc1ccccc1Cl)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759972 1405861318 /nfs/dbraw/zinc/86/13/18/1405861318.db2.gz ZGUGAJKBMCRXLX-MRXNPFEDSA-N 1 3 392.975 3.129 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3c3ccsc3)CC2)CC1 ZINC000051760713 1405861378 /nfs/dbraw/zinc/86/13/78/1405861378.db2.gz HEAFTEUAEQSWJZ-IBGZPJMESA-N 1 3 376.570 3.153 20 0 GGADHO CSc1ccc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051760078 1405861407 /nfs/dbraw/zinc/86/14/07/1405861407.db2.gz SBYBIHXMYAWJNG-MRXNPFEDSA-N 1 3 390.597 3.327 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCSc3ccccc3)CC2)CC1 ZINC000051759850 1405861452 /nfs/dbraw/zinc/86/14/52/1405861452.db2.gz URUXSVLIOOKKDI-UHFFFAOYSA-N 1 3 390.597 3.027 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3cccc(F)c3)C3CC3)CC2)CC1 ZINC000051777830 1405862505 /nfs/dbraw/zinc/86/25/05/1405862505.db2.gz JNEQQLLNAXNSAF-UHFFFAOYSA-N 1 3 388.531 3.058 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3CCc3ccccc3)CC2)CC1 ZINC000051777898 1405862559 /nfs/dbraw/zinc/86/25/59/1405862559.db2.gz ZFUCWWSTWHICMK-HSZRJFAPSA-N 1 3 398.595 3.352 20 0 GGADHO Cc1ccccc1[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777818 1405862616 /nfs/dbraw/zinc/86/26/16/1405862616.db2.gz OYWKMSPWMFKKLU-QFIPXVFZSA-N 1 3 384.568 3.400 20 0 GGADHO C[C@H](c1ccccc1F)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777857 1405862628 /nfs/dbraw/zinc/86/26/28/1405862628.db2.gz RISUSVJYVAKEKH-MRXNPFEDSA-N 1 3 376.520 3.087 20 0 GGADHO C[C@@H](c1ccccc1F)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777856 1405862776 /nfs/dbraw/zinc/86/27/76/1405862776.db2.gz RISUSVJYVAKEKH-INIZCTEOSA-N 1 3 376.520 3.087 20 0 GGADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000056780764 1407430768 /nfs/dbraw/zinc/43/07/68/1407430768.db2.gz ZSOIPXMULOBJLQ-UHFFFAOYSA-N 1 3 378.536 3.208 20 0 GGADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000056796626 1407435569 /nfs/dbraw/zinc/43/55/69/1407435569.db2.gz LKECMLMQBJMVBP-JOCHJYFZSA-N 1 3 398.526 3.173 20 0 GGADHO COc1ccc([C@H](CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000057166098 1407540307 /nfs/dbraw/zinc/54/03/07/1407540307.db2.gz DPZKGLDZBIGCKH-NQIIRXRSSA-N 1 3 388.556 3.006 20 0 GGADHO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000057705817 1407694883 /nfs/dbraw/zinc/69/48/83/1407694883.db2.gz BYLCPESWLKLWGG-KXBFYZLASA-N 1 3 383.458 3.040 20 0 GGADHO C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000057705817 1407694894 /nfs/dbraw/zinc/69/48/94/1407694894.db2.gz BYLCPESWLKLWGG-KXBFYZLASA-N 1 3 383.458 3.040 20 0 GGADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3ccc(OCC(N)=O)cc3)cc2)C1 ZINC000061000085 1408062679 /nfs/dbraw/zinc/06/26/79/1408062679.db2.gz RLRSMUCYKPESAW-OALUTQOASA-N 1 3 395.547 3.318 20 0 GGADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC[C@H]1c1ccccc1 ZINC000176383031 1428288367 /nfs/dbraw/zinc/28/83/67/1428288367.db2.gz PKCDSXLQELQXGD-AUSIDOKSSA-N 1 3 398.595 3.380 20 0 GGADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000062009155 1408202379 /nfs/dbraw/zinc/20/23/79/1408202379.db2.gz HUWSYMKMYSXKPZ-QFIPXVFZSA-N 1 3 380.536 3.212 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063146953 1408307148 /nfs/dbraw/zinc/30/71/48/1408307148.db2.gz JTTZFVIDDZLGSH-UHFFFAOYSA-N 1 3 388.625 3.236 20 0 GGADHO C[NH+](C)C1(CNC(=S)NC2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000063143785 1408307523 /nfs/dbraw/zinc/30/75/23/1408307523.db2.gz QQJWHEWLSKWBQY-UHFFFAOYSA-N 1 3 388.625 3.380 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063332521 1408338855 /nfs/dbraw/zinc/33/88/55/1408338855.db2.gz YWYWENZKNDEQHC-UHFFFAOYSA-N 1 3 398.595 3.389 20 0 GGADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000063407930 1408349899 /nfs/dbraw/zinc/34/98/99/1408349899.db2.gz HQCLWLDLNXPMHG-QFIPXVFZSA-N 1 3 386.584 3.113 20 0 GGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000176415142 1428311311 /nfs/dbraw/zinc/31/13/11/1428311311.db2.gz PXCYVAQFCSWHSC-RTWAWAEBSA-N 1 3 384.568 3.092 20 0 GGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000176415142 1428311318 /nfs/dbraw/zinc/31/13/18/1428311318.db2.gz PXCYVAQFCSWHSC-RTWAWAEBSA-N 1 3 384.568 3.092 20 0 GGADHO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000063727547 1408397740 /nfs/dbraw/zinc/39/77/40/1408397740.db2.gz DEKAPLITTMRABB-LJQANCHMSA-N 1 3 375.532 3.371 20 0 GGADHO CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000063727547 1408397747 /nfs/dbraw/zinc/39/77/47/1408397747.db2.gz DEKAPLITTMRABB-LJQANCHMSA-N 1 3 375.532 3.371 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N(CCc2ccccc2)CC[NH+](C)C)N(C)C)cc1 ZINC000065469628 1408674038 /nfs/dbraw/zinc/67/40/38/1408674038.db2.gz YKRZQEVOKFZONW-QHCPKHFHSA-N 1 3 396.579 3.414 20 0 GGADHO CN(CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)Cc1ccccc1 ZINC000065542210 1408686441 /nfs/dbraw/zinc/68/64/41/1408686441.db2.gz POCZAJWKKGFQKR-UHFFFAOYSA-N 1 3 386.584 3.416 20 0 GGADHO C[NH+](C)CCOc1cccc(CNC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000066047523 1408778875 /nfs/dbraw/zinc/77/88/75/1408778875.db2.gz FCROMFRWIJPQQS-UHFFFAOYSA-N 1 3 381.520 3.153 20 0 GGADHO CC[NH+](CC)C1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000066394907 1408829651 /nfs/dbraw/zinc/82/96/51/1408829651.db2.gz DVHMHGSHPXPGGZ-IBGZPJMESA-N 1 3 375.532 3.371 20 0 GGADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3ccc(OCC(N)=O)cc3)cc2)C1 ZINC000067120733 1409013533 /nfs/dbraw/zinc/01/35/33/1409013533.db2.gz UJPNIILPVQASEK-SFHVURJKSA-N 1 3 381.520 3.072 20 0 GGADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3ccc(OCC(N)=O)cc3)cc2)C1 ZINC000067120733 1409013542 /nfs/dbraw/zinc/01/35/42/1409013542.db2.gz UJPNIILPVQASEK-SFHVURJKSA-N 1 3 381.520 3.072 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C[C@@H](C)O1 ZINC000067453139 1409122552 /nfs/dbraw/zinc/12/25/52/1409122552.db2.gz QMBJASMWAPHQNQ-ZIAGYGMSSA-N 1 3 399.329 3.157 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000067671643 1409203871 /nfs/dbraw/zinc/20/38/71/1409203871.db2.gz YLOAVMCBPLJLOA-HXUWFJFHSA-N 1 3 397.563 3.390 20 0 GGADHO CCCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000067671584 1409204137 /nfs/dbraw/zinc/20/41/37/1409204137.db2.gz QUYKMGSXUJRTPO-MRXNPFEDSA-N 1 3 398.389 3.354 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000067671619 1409204227 /nfs/dbraw/zinc/20/42/27/1409204227.db2.gz BLFIXAPWRKUVRA-HXUWFJFHSA-N 1 3 397.563 3.390 20 0 GGADHO C[NH+](C)CCOc1ccc(CNCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000067976080 1409267545 /nfs/dbraw/zinc/26/75/45/1409267545.db2.gz XQOROFWKZZUCSD-QFIPXVFZSA-N 1 3 397.519 3.034 20 0 GGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000068546748 1409434786 /nfs/dbraw/zinc/43/47/86/1409434786.db2.gz SDXDFQAMSWYSMP-SFHVURJKSA-N 1 3 380.964 3.145 20 0 GGADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000068546748 1409434788 /nfs/dbraw/zinc/43/47/88/1409434788.db2.gz SDXDFQAMSWYSMP-SFHVURJKSA-N 1 3 380.964 3.145 20 0 GGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068584946 1409445522 /nfs/dbraw/zinc/44/55/22/1409445522.db2.gz ZSLYOZZIYCUYAE-RTBURBONSA-N 1 3 378.948 3.040 20 0 GGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068584946 1409445527 /nfs/dbraw/zinc/44/55/27/1409445527.db2.gz ZSLYOZZIYCUYAE-RTBURBONSA-N 1 3 378.948 3.040 20 0 GGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000068843797 1409506655 /nfs/dbraw/zinc/50/66/55/1409506655.db2.gz XSQBZRURORCWQA-QFIPXVFZSA-N 1 3 384.568 3.215 20 0 GGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000068843798 1409506743 /nfs/dbraw/zinc/50/67/43/1409506743.db2.gz XSQBZRURORCWQA-JOCHJYFZSA-N 1 3 384.568 3.215 20 0 GGADHO C[NH+](C)CCOc1ccc(CNCc2cccc(CN3CCCC3=O)c2)cc1 ZINC000069679676 1409673752 /nfs/dbraw/zinc/67/37/52/1409673752.db2.gz UXVMVEIJGUAKCH-UHFFFAOYSA-N 1 3 381.520 3.039 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000069681333 1409674486 /nfs/dbraw/zinc/67/44/86/1409674486.db2.gz CZFWYWUJSLFMHL-INIZCTEOSA-N 1 3 389.975 3.258 20 0 GGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC000073657210 1409863758 /nfs/dbraw/zinc/86/37/58/1409863758.db2.gz VJBHQWUIMVESCW-DENIHFKCSA-N 1 3 386.584 3.197 20 0 GGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC000073657210 1409863759 /nfs/dbraw/zinc/86/37/59/1409863759.db2.gz VJBHQWUIMVESCW-DENIHFKCSA-N 1 3 386.584 3.197 20 0 GGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000073722100 1409864837 /nfs/dbraw/zinc/86/48/37/1409864837.db2.gz IFLDEXKAFDSPLK-IBGZPJMESA-N 1 3 386.584 3.197 20 0 GGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000073722100 1409864838 /nfs/dbraw/zinc/86/48/38/1409864838.db2.gz IFLDEXKAFDSPLK-IBGZPJMESA-N 1 3 386.584 3.197 20 0 GGADHO C/C=C/c1ccc(OC[C@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)c(OC)c1 ZINC000073895205 1409866820 /nfs/dbraw/zinc/86/68/20/1409866820.db2.gz VSIREMJOPCXSJD-ROUKRRSUSA-N 1 3 376.541 3.273 20 0 GGADHO C/C=C/c1ccc(OC[C@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)c(OC)c1 ZINC000073895205 1409866821 /nfs/dbraw/zinc/86/68/21/1409866821.db2.gz VSIREMJOPCXSJD-ROUKRRSUSA-N 1 3 376.541 3.273 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000074847149 1409877142 /nfs/dbraw/zinc/87/71/42/1409877142.db2.gz DAAQYQYPDPWZJE-QFIPXVFZSA-N 1 3 386.584 3.413 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000076019887 1409884358 /nfs/dbraw/zinc/88/43/58/1409884358.db2.gz PSPDBBHEQYCKTN-UHFFFAOYSA-N 1 3 377.532 3.461 20 0 GGADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000079224304 1409963529 /nfs/dbraw/zinc/96/35/29/1409963529.db2.gz RDDGTIOGSQJXHD-ROUUACIJSA-N 1 3 378.586 3.449 20 0 GGADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000079224304 1409963535 /nfs/dbraw/zinc/96/35/35/1409963535.db2.gz RDDGTIOGSQJXHD-ROUUACIJSA-N 1 3 378.586 3.449 20 0 GGADHO CC[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000079256948 1409963757 /nfs/dbraw/zinc/96/37/57/1409963757.db2.gz PAAHGOOYIYTLNS-VXKWHMMOSA-N 1 3 384.568 3.093 20 0 GGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080057102 1409999823 /nfs/dbraw/zinc/99/98/23/1409999823.db2.gz FQRYZYBTJVEZAW-ATKRNPRHSA-N 1 3 384.568 3.357 20 0 GGADHO CN(CCNC(=O)C1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000081156140 1410015365 /nfs/dbraw/zinc/01/53/65/1410015365.db2.gz HNFVPMDUKFGLLM-UHFFFAOYSA-N 1 3 379.548 3.189 20 0 GGADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000081333733 1410017981 /nfs/dbraw/zinc/01/79/81/1410017981.db2.gz AHSHVLMUEYJLDV-VQTJNVASSA-N 1 3 375.532 3.228 20 0 GGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000081361706 1410018249 /nfs/dbraw/zinc/01/82/49/1410018249.db2.gz URGGJSWYLZYNIF-HXUWFJFHSA-N 1 3 386.584 3.021 20 0 GGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000081361706 1410018259 /nfs/dbraw/zinc/01/82/59/1410018259.db2.gz URGGJSWYLZYNIF-HXUWFJFHSA-N 1 3 386.584 3.021 20 0 GGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000090028545 1410061393 /nfs/dbraw/zinc/06/13/93/1410061393.db2.gz WWNOQTXQTKJUKU-QHCPKHFHSA-N 1 3 377.532 3.159 20 0 GGADHO Cc1nccn1CCCC[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000092396587 1410149561 /nfs/dbraw/zinc/14/95/61/1410149561.db2.gz VDDBKRCFVLDXLU-UHFFFAOYSA-N 1 3 375.948 3.167 20 0 GGADHO COc1ccc(-c2n[nH]cc2CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587565 1410177195 /nfs/dbraw/zinc/17/71/95/1410177195.db2.gz PDGCIOQZTQECJA-HDICACEKSA-N 1 3 398.551 3.407 20 0 GGADHO COc1ccc(-c2n[nH]cc2CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587565 1410177202 /nfs/dbraw/zinc/17/72/02/1410177202.db2.gz PDGCIOQZTQECJA-HDICACEKSA-N 1 3 398.551 3.407 20 0 GGADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000092615788 1410180036 /nfs/dbraw/zinc/18/00/36/1410180036.db2.gz SRJVRZRRNQUXDX-UHFFFAOYSA-N 1 3 389.927 3.490 20 0 GGADHO Cc1cccc(CNC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821368 1410204058 /nfs/dbraw/zinc/20/40/58/1410204058.db2.gz ZHQBNKKOIFGGSX-UHFFFAOYSA-N 1 3 380.536 3.245 20 0 GGADHO C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093336968 1410235685 /nfs/dbraw/zinc/23/56/85/1410235685.db2.gz WGXSNJLPTNAZMJ-QFIPXVFZSA-N 1 3 379.548 3.477 20 0 GGADHO C[N@H+](Cc1ccccc1N1CCOCC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000093336968 1410235693 /nfs/dbraw/zinc/23/56/93/1410235693.db2.gz WGXSNJLPTNAZMJ-QFIPXVFZSA-N 1 3 379.548 3.477 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3-c3ccncc3)CC2)C[C@@H](C)O1 ZINC000093844420 1410274484 /nfs/dbraw/zinc/27/44/84/1410274484.db2.gz XEFANQODLGVPBT-RTBURBONSA-N 1 3 397.567 3.193 20 0 GGADHO C[C@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3-c3cccnc3)CC2)C[C@H](C)O1 ZINC000093844269 1410274554 /nfs/dbraw/zinc/27/45/54/1410274554.db2.gz OLQLCEKPLRIFNF-OALUTQOASA-N 1 3 397.567 3.193 20 0 GGADHO COc1ccc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000093844371 1410275070 /nfs/dbraw/zinc/27/50/70/1410275070.db2.gz SFGFWESNXLPDJP-ROUUACIJSA-N 1 3 376.541 3.415 20 0 GGADHO COc1ccc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000093844371 1410275083 /nfs/dbraw/zinc/27/50/83/1410275083.db2.gz SFGFWESNXLPDJP-ROUUACIJSA-N 1 3 376.541 3.415 20 0 GGADHO CC1(C)CC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC(C)(C)[NH2+]1 ZINC000096626718 1410335260 /nfs/dbraw/zinc/33/52/60/1410335260.db2.gz AILCVMKVUDUFOE-QGZVFWFLSA-N 1 3 375.532 3.463 20 0 GGADHO COc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000097357167 1410366030 /nfs/dbraw/zinc/36/60/30/1410366030.db2.gz RCHJRBHKETWSBC-WIYYLYMNSA-N 1 3 388.556 3.006 20 0 GGADHO CN(C)[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000097337198 1410366292 /nfs/dbraw/zinc/36/62/92/1410366292.db2.gz VJONCTFWQRWGNJ-YADHBBJMSA-N 1 3 380.536 3.426 20 0 GGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000097395156 1410368697 /nfs/dbraw/zinc/36/86/97/1410368697.db2.gz AQZSZWMHTZMWCK-KCZVDYSFSA-N 1 3 388.600 3.217 20 0 GGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000098030333 1410397806 /nfs/dbraw/zinc/39/78/06/1410397806.db2.gz CTBOBKKOLOMHEL-QZTJIDSGSA-N 1 3 376.545 3.006 20 0 GGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000098030333 1410397812 /nfs/dbraw/zinc/39/78/12/1410397812.db2.gz CTBOBKKOLOMHEL-QZTJIDSGSA-N 1 3 376.545 3.006 20 0 GGADHO CCN1CCCC[C@@H]1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176848616 1428499543 /nfs/dbraw/zinc/49/95/43/1428499543.db2.gz NQQUOHDYKFKVIF-JOCHJYFZSA-N 1 3 387.568 3.048 20 0 GGADHO Cn1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000103173658 1410834097 /nfs/dbraw/zinc/83/40/97/1410834097.db2.gz JQRNKRCQQNCFAN-FQEVSTJZSA-N 1 3 375.520 3.136 20 0 GGADHO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000103291048 1410842928 /nfs/dbraw/zinc/84/29/28/1410842928.db2.gz DVXKLQSLDRZQDD-LJQANCHMSA-N 1 3 390.597 3.131 20 0 GGADHO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000103291048 1410842929 /nfs/dbraw/zinc/84/29/29/1410842929.db2.gz DVXKLQSLDRZQDD-LJQANCHMSA-N 1 3 390.597 3.131 20 0 GGADHO COCCN(CCN(C)C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000104978675 1411007514 /nfs/dbraw/zinc/00/75/14/1411007514.db2.gz MVMKGXZUUJDVSL-UHFFFAOYSA-N 1 3 390.572 3.493 20 0 GGADHO COCCN(CCN(C)C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000104978675 1411007524 /nfs/dbraw/zinc/00/75/24/1411007524.db2.gz MVMKGXZUUJDVSL-UHFFFAOYSA-N 1 3 390.572 3.493 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000105273543 1411048767 /nfs/dbraw/zinc/04/87/67/1411048767.db2.gz RKEZGPVOZBSJII-SFHVURJKSA-N 1 3 396.526 3.158 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000105273543 1411048778 /nfs/dbraw/zinc/04/87/78/1411048778.db2.gz RKEZGPVOZBSJII-SFHVURJKSA-N 1 3 396.526 3.158 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000105275683 1411049427 /nfs/dbraw/zinc/04/94/27/1411049427.db2.gz AYHNTBISZODVRZ-GOSISDBHSA-N 1 3 376.545 3.006 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000105275683 1411049437 /nfs/dbraw/zinc/04/94/37/1411049437.db2.gz AYHNTBISZODVRZ-GOSISDBHSA-N 1 3 376.545 3.006 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000105441781 1411066413 /nfs/dbraw/zinc/06/64/13/1411066413.db2.gz UPEXISLEIPCTEW-FQEVSTJZSA-N 1 3 382.552 3.024 20 0 GGADHO COc1ccc(CN[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(OC)c1 ZINC000105463069 1411068721 /nfs/dbraw/zinc/06/87/21/1411068721.db2.gz QUKIPUQGWJLISB-INIZCTEOSA-N 1 3 387.499 3.446 20 0 GGADHO OC1CC[NH+](Cc2ccc(CNCc3c[nH]nc3-c3cccs3)cc2)CC1 ZINC000105495565 1411072212 /nfs/dbraw/zinc/07/22/12/1411072212.db2.gz PSBJANAZDXMZIO-UHFFFAOYSA-N 1 3 382.533 3.385 20 0 GGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106518948 1411229510 /nfs/dbraw/zinc/22/95/10/1411229510.db2.gz NHRPCOJZAOJGLB-AEFFLSMTSA-N 1 3 376.570 3.201 20 0 GGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106518948 1411229518 /nfs/dbraw/zinc/22/95/18/1411229518.db2.gz NHRPCOJZAOJGLB-AEFFLSMTSA-N 1 3 376.570 3.201 20 0 GGADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)CC1 ZINC000107327625 1411360439 /nfs/dbraw/zinc/36/04/39/1411360439.db2.gz RLLSHNZTKDCDBB-NRFANRHFSA-N 1 3 390.572 3.252 20 0 GGADHO CCC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)CC1 ZINC000107327626 1411360588 /nfs/dbraw/zinc/36/05/88/1411360588.db2.gz RLLSHNZTKDCDBB-OAQYLSRUSA-N 1 3 390.572 3.252 20 0 GGADHO CC(C)(CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[NH+]1CCCCC1 ZINC000107696140 1411399361 /nfs/dbraw/zinc/39/93/61/1411399361.db2.gz YECJTFTUTKJYKF-QGZVFWFLSA-N 1 3 378.586 3.449 20 0 GGADHO CN(C)[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000107700444 1411399731 /nfs/dbraw/zinc/39/97/31/1411399731.db2.gz AIGHAROAJWYMFN-YADHBBJMSA-N 1 3 380.536 3.426 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3cccc4cccnc43)c2)C1 ZINC000108420956 1411495817 /nfs/dbraw/zinc/49/58/17/1411495817.db2.gz PPNZRYVODLVIKN-QFIPXVFZSA-N 1 3 388.515 3.222 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc4cccnc43)c2)C1 ZINC000108420956 1411495831 /nfs/dbraw/zinc/49/58/31/1411495831.db2.gz PPNZRYVODLVIKN-QFIPXVFZSA-N 1 3 388.515 3.222 20 0 GGADHO CC1CC[NH+](CCCNC(=O)N(CCN(C)C)Cc2ccccc2F)CC1 ZINC000108444400 1411503516 /nfs/dbraw/zinc/50/35/16/1411503516.db2.gz VOGLLKNVTLAHEO-UHFFFAOYSA-N 1 3 378.536 3.021 20 0 GGADHO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C[NH+]1CCCCC1 ZINC000108484854 1411516642 /nfs/dbraw/zinc/51/66/42/1411516642.db2.gz UNIFRGXXGNPGGL-ROUUACIJSA-N 1 3 378.586 3.306 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000108790958 1411612536 /nfs/dbraw/zinc/61/25/36/1411612536.db2.gz BERGLODVRMASDI-UHFFFAOYSA-N 1 3 385.552 3.296 20 0 GGADHO COc1cccc(C2(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CCCC2)c1 ZINC000108790956 1411612738 /nfs/dbraw/zinc/61/27/38/1411612738.db2.gz UYMKNQRXSQEOKU-UHFFFAOYSA-N 1 3 399.579 3.182 20 0 GGADHO CCCN1CCCC[C@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000109444046 1411765134 /nfs/dbraw/zinc/76/51/34/1411765134.db2.gz XTEZLAOGMPMVBA-SFTDATJTSA-N 1 3 375.557 3.459 20 0 GGADHO CC(C)[NH+]1CCN(c2ccc(C(=O)NCCN(C)Cc3ccccc3)cc2)CC1 ZINC000109900219 1411817249 /nfs/dbraw/zinc/81/72/49/1411817249.db2.gz JZELJPSKTFBSNX-UHFFFAOYSA-N 1 3 394.563 3.079 20 0 GGADHO C[C@@H](CSc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000110674607 1411863290 /nfs/dbraw/zinc/86/32/90/1411863290.db2.gz JPMSTBDOPZWYNS-KRWDZBQOSA-N 1 3 375.582 3.090 20 0 GGADHO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000111067398 1411885649 /nfs/dbraw/zinc/88/56/49/1411885649.db2.gz RMBCPAHBAJZFBP-FQEVSTJZSA-N 1 3 375.532 3.420 20 0 GGADHO C[C@@H](CNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000111875336 1412041608 /nfs/dbraw/zinc/04/16/08/1412041608.db2.gz LBCKIIBYOZDJQG-IBGZPJMESA-N 1 3 398.551 3.406 20 0 GGADHO C[C@@H](CNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000111875336 1412041617 /nfs/dbraw/zinc/04/16/17/1412041617.db2.gz LBCKIIBYOZDJQG-IBGZPJMESA-N 1 3 398.551 3.406 20 0 GGADHO C[C@H](CNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000111875338 1412041661 /nfs/dbraw/zinc/04/16/61/1412041661.db2.gz LBCKIIBYOZDJQG-LJQANCHMSA-N 1 3 398.551 3.406 20 0 GGADHO C[C@H](CNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000111875338 1412041670 /nfs/dbraw/zinc/04/16/70/1412041670.db2.gz LBCKIIBYOZDJQG-LJQANCHMSA-N 1 3 398.551 3.406 20 0 GGADHO CCCN1CCCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000113234737 1412279397 /nfs/dbraw/zinc/27/93/97/1412279397.db2.gz CJWLPPUXFXYUNM-FPOVZHCZSA-N 1 3 387.568 3.267 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000113388626 1412303068 /nfs/dbraw/zinc/30/30/68/1412303068.db2.gz RXESWBYURBPTCM-XMMPIXPASA-N 1 3 398.595 3.308 20 0 GGADHO OCCN1CCN(CCCC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000114506458 1412447996 /nfs/dbraw/zinc/44/79/96/1412447996.db2.gz RWTZMZSRRQVEBX-UHFFFAOYSA-N 1 3 391.943 3.080 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@H](C)C1 ZINC000115628217 1412738756 /nfs/dbraw/zinc/73/87/56/1412738756.db2.gz VDTKGJZWSVSCRN-CRAIPNDOSA-N 1 3 382.932 3.338 20 0 GGADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccccc2CC1 ZINC000116299227 1412848002 /nfs/dbraw/zinc/84/80/02/1412848002.db2.gz RLKOXORIAMXZPV-HXUWFJFHSA-N 1 3 391.559 3.257 20 0 GGADHO COc1cccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000177351273 1428702007 /nfs/dbraw/zinc/70/20/07/1428702007.db2.gz HWDBQESTTVUASQ-GOSISDBHSA-N 1 3 381.520 3.372 20 0 GGADHO CC[NH+](CC)Cc1ccccc1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000118759554 1413216457 /nfs/dbraw/zinc/21/64/57/1413216457.db2.gz WQHQZQQIDJUYEG-UHFFFAOYSA-N 1 3 387.568 3.180 20 0 GGADHO CC[NH+](CC)Cc1cccc(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000118775781 1413218138 /nfs/dbraw/zinc/21/81/38/1413218138.db2.gz UAKFJEUGQMMBJF-UHFFFAOYSA-N 1 3 387.568 3.180 20 0 GGADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841299 1413242209 /nfs/dbraw/zinc/24/22/09/1413242209.db2.gz WVEDFAOCVIGKNZ-IBGZPJMESA-N 1 3 383.540 3.091 20 0 GGADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841299 1413242220 /nfs/dbraw/zinc/24/22/20/1413242220.db2.gz WVEDFAOCVIGKNZ-IBGZPJMESA-N 1 3 383.540 3.091 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000119290622 1413400692 /nfs/dbraw/zinc/40/06/92/1413400692.db2.gz CGGQWZUJKJJIFU-VQTJNVASSA-N 1 3 375.532 3.132 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000119290622 1413400694 /nfs/dbraw/zinc/40/06/94/1413400694.db2.gz CGGQWZUJKJJIFU-VQTJNVASSA-N 1 3 375.532 3.132 20 0 GGADHO COc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)N2CCCCC2)cc1 ZINC000119423645 1413442955 /nfs/dbraw/zinc/44/29/55/1413442955.db2.gz ZDPIYJXBQXIXBA-FCHUYYIVSA-N 1 3 381.520 3.429 20 0 GGADHO CSc1cc(C)ccc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119659278 1413519385 /nfs/dbraw/zinc/51/93/85/1413519385.db2.gz KQVMEZHWIHYTEV-UHFFFAOYSA-N 1 3 390.597 3.075 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000120024121 1413657787 /nfs/dbraw/zinc/65/77/87/1413657787.db2.gz HUEQEIJAEIFWOR-AWEZNQCLSA-N 1 3 377.529 3.320 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1 ZINC000120025064 1413658016 /nfs/dbraw/zinc/65/80/16/1413658016.db2.gz CHYHDAVQRHSXFQ-AWEZNQCLSA-N 1 3 377.529 3.320 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1 ZINC000120025172 1413658432 /nfs/dbraw/zinc/65/84/32/1413658432.db2.gz CHYHDAVQRHSXFQ-CQSZACIVSA-N 1 3 377.529 3.320 20 0 GGADHO COc1cccc([C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N2CCCC2)c1 ZINC000120123032 1413696207 /nfs/dbraw/zinc/69/62/07/1413696207.db2.gz WGGJUHZLQBBYLK-PXNSSMCTSA-N 1 3 390.572 3.108 20 0 GGADHO COc1cccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N2CCCC2)c1 ZINC000120123188 1413696357 /nfs/dbraw/zinc/69/63/57/1413696357.db2.gz WGGJUHZLQBBYLK-XLIONFOSSA-N 1 3 390.572 3.108 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)CC1 ZINC000120186695 1413723545 /nfs/dbraw/zinc/72/35/45/1413723545.db2.gz PWMUEKFYDLXADM-UHFFFAOYSA-N 1 3 398.473 3.472 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(CC(F)(F)F)c3)CC2)CC1 ZINC000120219672 1413736758 /nfs/dbraw/zinc/73/67/58/1413736758.db2.gz VWDQMYCLVAHZDV-UHFFFAOYSA-N 1 3 398.473 3.472 20 0 GGADHO Cc1cc(N(C)C)cc(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120311252 1413779481 /nfs/dbraw/zinc/77/94/81/1413779481.db2.gz FPDBZNJHLVIQGV-UHFFFAOYSA-N 1 3 387.572 3.050 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000177499343 1428770610 /nfs/dbraw/zinc/77/06/10/1428770610.db2.gz AAKCRAFNEABPKE-KDURUIRLSA-N 1 3 398.551 3.490 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000121108441 1414010742 /nfs/dbraw/zinc/01/07/42/1414010742.db2.gz LQEDFDYMVNKBBO-IAGOWNOFSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000121108441 1414010747 /nfs/dbraw/zinc/01/07/47/1414010747.db2.gz LQEDFDYMVNKBBO-IAGOWNOFSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c(OC)c1 ZINC000121109836 1414011131 /nfs/dbraw/zinc/01/11/31/1414011131.db2.gz CGBZBNXGCONCCI-IRXDYDNUSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC000121109836 1414011138 /nfs/dbraw/zinc/01/11/38/1414011138.db2.gz CGBZBNXGCONCCI-IRXDYDNUSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c(OC)c1 ZINC000121109507 1414011308 /nfs/dbraw/zinc/01/13/08/1414011308.db2.gz CGBZBNXGCONCCI-SJORKVTESA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC000121109507 1414011310 /nfs/dbraw/zinc/01/13/10/1414011310.db2.gz CGBZBNXGCONCCI-SJORKVTESA-N 1 3 377.529 3.133 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)C(C)(C)C[NH+](C)C ZINC000121245553 1414057122 /nfs/dbraw/zinc/05/71/22/1414057122.db2.gz ULEIIMAXIXTQEM-HNNXBMFYSA-N 1 3 384.515 3.014 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000121280252 1414069549 /nfs/dbraw/zinc/06/95/49/1414069549.db2.gz IGTBFJPPADIKJA-LPHOPBHVSA-N 1 3 387.490 3.256 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000121280720 1414069883 /nfs/dbraw/zinc/06/98/83/1414069883.db2.gz IGTBFJPPADIKJA-VQIMIIECSA-N 1 3 387.490 3.256 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000121351829 1414092066 /nfs/dbraw/zinc/09/20/66/1414092066.db2.gz RPMUDZQXNMLXFR-HOTGVXAUSA-N 1 3 383.964 3.281 20 0 GGADHO CSCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000121954260 1414321978 /nfs/dbraw/zinc/32/19/78/1414321978.db2.gz OWAAUSMEUYOSIA-UHFFFAOYSA-N 1 3 376.570 3.230 20 0 GGADHO CC(C)n1cc2cc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2n1 ZINC000122110752 1414365177 /nfs/dbraw/zinc/36/51/77/1414365177.db2.gz KJDMXCPMZAADSE-UHFFFAOYSA-N 1 3 398.555 3.297 20 0 GGADHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000122163364 1414376949 /nfs/dbraw/zinc/37/69/49/1414376949.db2.gz VLKATONIOFRQSZ-VAMGGRTRSA-N 1 3 381.605 3.235 20 0 GGADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000122163364 1414376955 /nfs/dbraw/zinc/37/69/55/1414376955.db2.gz VLKATONIOFRQSZ-VAMGGRTRSA-N 1 3 381.605 3.235 20 0 GGADHO Cc1nc(CC(C)C)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000122205581 1414387977 /nfs/dbraw/zinc/38/79/77/1414387977.db2.gz IDHZRSHWFLZZJI-UHFFFAOYSA-N 1 3 393.601 3.330 20 0 GGADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122253669 1414402090 /nfs/dbraw/zinc/40/20/90/1414402090.db2.gz PXZFTFXGSICZHR-MSOLQXFVSA-N 1 3 377.529 3.162 20 0 GGADHO Cc1cc2cccnc2c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000122327073 1414425078 /nfs/dbraw/zinc/42/50/78/1414425078.db2.gz SAMTVYVMWBNSIN-UHFFFAOYSA-N 1 3 381.524 3.223 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3c(F)cc(Cl)cc3F)CC2)CC1 ZINC000122355337 1414433008 /nfs/dbraw/zinc/43/30/08/1414433008.db2.gz HLSAJJCLDWCPMW-UHFFFAOYSA-N 1 3 386.874 3.298 20 0 GGADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000122359499 1414433713 /nfs/dbraw/zinc/43/37/13/1414433713.db2.gz HFFNGQWVGQBPJH-HYBUGGRVSA-N 1 3 397.563 3.006 20 0 GGADHO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000122367611 1414436852 /nfs/dbraw/zinc/43/68/52/1414436852.db2.gz MXXSHUHGECBWNG-QFIPXVFZSA-N 1 3 389.584 3.003 20 0 GGADHO CSCc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122575935 1414505786 /nfs/dbraw/zinc/50/57/86/1414505786.db2.gz DFEQCONPIPPPMG-UHFFFAOYSA-N 1 3 376.570 3.230 20 0 GGADHO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000122923943 1414598362 /nfs/dbraw/zinc/59/83/62/1414598362.db2.gz UYEHFISFWXFKAE-PXNSSMCTSA-N 1 3 395.588 3.398 20 0 GGADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000122923714 1414598539 /nfs/dbraw/zinc/59/85/39/1414598539.db2.gz UYEHFISFWXFKAE-YLJYHZDGSA-N 1 3 395.588 3.398 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000123256706 1414680358 /nfs/dbraw/zinc/68/03/58/1414680358.db2.gz PNWVKMXBLRKMQY-HXUWFJFHSA-N 1 3 397.611 3.345 20 0 GGADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000123940602 1414853803 /nfs/dbraw/zinc/85/38/03/1414853803.db2.gz JJTKFJSRXOWWPR-INIZCTEOSA-N 1 3 375.538 3.361 20 0 GGADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000123940602 1414853808 /nfs/dbraw/zinc/85/38/08/1414853808.db2.gz JJTKFJSRXOWWPR-INIZCTEOSA-N 1 3 375.538 3.361 20 0 GGADHO O[C@@H](CNCc1ccc(OCC[NH+]2CCCC2)cc1)c1c(F)cccc1F ZINC000123985546 1414863007 /nfs/dbraw/zinc/86/30/07/1414863007.db2.gz WFJSZBAFSUWPBH-FQEVSTJZSA-N 1 3 376.447 3.263 20 0 GGADHO C[C@H](NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000124724023 1415029645 /nfs/dbraw/zinc/02/96/45/1415029645.db2.gz HFTALSJBELZLOW-FHWLQOOXSA-N 1 3 390.535 3.470 20 0 GGADHO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000125670801 1415250885 /nfs/dbraw/zinc/25/08/85/1415250885.db2.gz FXKLMANBXCGQDD-WOJBJXKFSA-N 1 3 398.595 3.441 20 0 GGADHO C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000125719002 1415261773 /nfs/dbraw/zinc/26/17/73/1415261773.db2.gz VWIAFBFLERIMOY-QGZVFWFLSA-N 1 3 390.549 3.022 20 0 GGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000125753617 1415270945 /nfs/dbraw/zinc/27/09/45/1415270945.db2.gz KLMBXHUBIFCSSX-GOEBONIOSA-N 1 3 381.446 3.412 20 0 GGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000125753617 1415270952 /nfs/dbraw/zinc/27/09/52/1415270952.db2.gz KLMBXHUBIFCSSX-GOEBONIOSA-N 1 3 381.446 3.412 20 0 GGADHO CN(C)[C@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000125846543 1415295731 /nfs/dbraw/zinc/29/57/31/1415295731.db2.gz KAFLYWYJTWHSBJ-OAQYLSRUSA-N 1 3 384.524 3.188 20 0 GGADHO CCOc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1OCC ZINC000126028142 1415339692 /nfs/dbraw/zinc/33/96/92/1415339692.db2.gz OGGGEKOQLLAQIX-UHFFFAOYSA-N 1 3 375.557 3.132 20 0 GGADHO CCOc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)ccc1OC(F)F ZINC000126054543 1415345846 /nfs/dbraw/zinc/34/58/46/1415345846.db2.gz WZBBVANUYZSWBD-UHFFFAOYSA-N 1 3 397.510 3.335 20 0 GGADHO Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000126305146 1415412928 /nfs/dbraw/zinc/41/29/28/1415412928.db2.gz LHPSPELWFKMUPM-KRWDZBQOSA-N 1 3 379.508 3.367 20 0 GGADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc(-n4cccn4)cc3)cc2)CC1 ZINC000126353746 1415424958 /nfs/dbraw/zinc/42/49/58/1415424958.db2.gz SGNKKURIYAXBQM-UHFFFAOYSA-N 1 3 389.547 3.300 20 0 GGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)CC1 ZINC000126359694 1415426757 /nfs/dbraw/zinc/42/67/57/1415426757.db2.gz XZMQJDLWRJZUDO-FQEVSTJZSA-N 1 3 394.563 3.331 20 0 GGADHO CN(C)Cc1cccc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000126394035 1415436168 /nfs/dbraw/zinc/43/61/68/1415436168.db2.gz SUSFOXIJPZUCLH-UHFFFAOYSA-N 1 3 381.520 3.499 20 0 GGADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2c(c1)CCO2 ZINC000178006255 1428930026 /nfs/dbraw/zinc/93/00/26/1428930026.db2.gz NBYBKNZAFUFXNJ-JTSKRJEESA-N 1 3 393.531 3.170 20 0 GGADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2c(c1)CCO2 ZINC000178006255 1428930034 /nfs/dbraw/zinc/93/00/34/1428930034.db2.gz NBYBKNZAFUFXNJ-JTSKRJEESA-N 1 3 393.531 3.170 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000126624187 1415509901 /nfs/dbraw/zinc/50/99/01/1415509901.db2.gz JXRRRPPDEPTVMA-VQTJNVASSA-N 1 3 390.959 3.054 20 0 GGADHO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000126678884 1415524516 /nfs/dbraw/zinc/52/45/16/1415524516.db2.gz OWHNETZZGJJUFK-FQEVSTJZSA-N 1 3 397.563 3.310 20 0 GGADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(C)Cc1ccccc1 ZINC000126685812 1415526498 /nfs/dbraw/zinc/52/64/98/1415526498.db2.gz JZILQKCZPBNQQW-SYYKKAFVSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(C)Cc1ccccc1 ZINC000126685812 1415526503 /nfs/dbraw/zinc/52/65/03/1415526503.db2.gz JZILQKCZPBNQQW-SYYKKAFVSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000126692165 1415527929 /nfs/dbraw/zinc/52/79/29/1415527929.db2.gz GWPMCXITKHQIDI-LJQANCHMSA-N 1 3 395.547 3.446 20 0 GGADHO CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)CCCO2 ZINC000126692754 1415528271 /nfs/dbraw/zinc/52/82/71/1415528271.db2.gz LMYSXKKUEJJISW-QFIPXVFZSA-N 1 3 389.584 3.003 20 0 GGADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178036990 1428949537 /nfs/dbraw/zinc/94/95/37/1428949537.db2.gz YDUPXLACUVUTEW-GBESFXJTSA-N 1 3 375.557 3.445 20 0 GGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000178037185 1428949595 /nfs/dbraw/zinc/94/95/95/1428949595.db2.gz MXFOBEDRJACXNK-KURKYZTESA-N 1 3 375.513 3.183 20 0 GGADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000127261974 1415707305 /nfs/dbraw/zinc/70/73/05/1415707305.db2.gz CJFQDKRZTCWAHT-OALUTQOASA-N 1 3 390.572 3.253 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CN1C1CC1 ZINC000127969064 1415885371 /nfs/dbraw/zinc/88/53/71/1415885371.db2.gz CDZYEZWESHVYKM-WIYYLYMNSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CN1C1CC1 ZINC000127969064 1415885374 /nfs/dbraw/zinc/88/53/74/1415885374.db2.gz CDZYEZWESHVYKM-WIYYLYMNSA-N 1 3 384.568 3.165 20 0 GGADHO CC[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2cc(OC)ccc2c1 ZINC000128044778 1415899822 /nfs/dbraw/zinc/89/98/22/1415899822.db2.gz CTLOYWLGTQGYNG-UNMCSNQZSA-N 1 3 383.536 3.477 20 0 GGADHO CC[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2cc(OC)ccc2c1 ZINC000128044778 1415899826 /nfs/dbraw/zinc/89/98/26/1415899826.db2.gz CTLOYWLGTQGYNG-UNMCSNQZSA-N 1 3 383.536 3.477 20 0 GGADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C[C@@H](C)O1 ZINC000178259207 1429035620 /nfs/dbraw/zinc/03/56/20/1429035620.db2.gz SQDXTQVDGRSFTN-RTBURBONSA-N 1 3 387.568 3.100 20 0 GGADHO CC1CC[NH+](C2CCC(NC(=O)CC3(N4CCOCC4)CCCC3)CC2)CC1 ZINC000128932074 1416106776 /nfs/dbraw/zinc/10/67/76/1416106776.db2.gz WGCYOFORJYNPDH-UHFFFAOYSA-N 1 3 391.600 3.181 20 0 GGADHO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000130011961 1416302160 /nfs/dbraw/zinc/30/21/60/1416302160.db2.gz SCNZYSJAXVXHRC-WIYYLYMNSA-N 1 3 386.584 3.053 20 0 GGADHO C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000130012152 1416302396 /nfs/dbraw/zinc/30/23/96/1416302396.db2.gz SCNZYSJAXVXHRC-NQIIRXRSSA-N 1 3 386.584 3.053 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CN1Cc1ccccc1 ZINC000130100124 1416317919 /nfs/dbraw/zinc/31/79/19/1416317919.db2.gz UAGPMPAUDJHMIR-WRHDZBKDSA-N 1 3 396.579 3.308 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CN1Cc1ccccc1 ZINC000130100124 1416317922 /nfs/dbraw/zinc/31/79/22/1416317922.db2.gz UAGPMPAUDJHMIR-WRHDZBKDSA-N 1 3 396.579 3.308 20 0 GGADHO CCOc1ccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000130181330 1416334338 /nfs/dbraw/zinc/33/43/38/1416334338.db2.gz HWGHWQBSEUGJOQ-UHFFFAOYSA-N 1 3 381.520 3.201 20 0 GGADHO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1OC(F)F ZINC000130532211 1416394497 /nfs/dbraw/zinc/39/44/97/1416394497.db2.gz ZNCOLLVLJZOCFB-CQSZACIVSA-N 1 3 394.441 3.425 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(F)cc1OC(F)F ZINC000130532211 1416394503 /nfs/dbraw/zinc/39/45/03/1416394503.db2.gz ZNCOLLVLJZOCFB-CQSZACIVSA-N 1 3 394.441 3.425 20 0 GGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000130665495 1416421069 /nfs/dbraw/zinc/42/10/69/1416421069.db2.gz SFALOZQCHSIUKL-UHFFFAOYSA-N 1 3 397.510 3.204 20 0 GGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000130667055 1416421450 /nfs/dbraw/zinc/42/14/50/1416421450.db2.gz NUEJIXQMODHJLZ-UHFFFAOYSA-N 1 3 395.975 3.135 20 0 GGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000130725582 1416435781 /nfs/dbraw/zinc/43/57/81/1416435781.db2.gz YQOXDZKQOQYNBD-IBGZPJMESA-N 1 3 390.572 3.253 20 0 GGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000130725582 1416435785 /nfs/dbraw/zinc/43/57/85/1416435785.db2.gz YQOXDZKQOQYNBD-IBGZPJMESA-N 1 3 390.572 3.253 20 0 GGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000130845789 1416466304 /nfs/dbraw/zinc/46/63/04/1416466304.db2.gz SBKIWTRLESAKFL-FQEVSTJZSA-N 1 3 392.563 3.267 20 0 GGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000130845789 1416466311 /nfs/dbraw/zinc/46/63/11/1416466311.db2.gz SBKIWTRLESAKFL-FQEVSTJZSA-N 1 3 392.563 3.267 20 0 GGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000130845570 1416466399 /nfs/dbraw/zinc/46/63/99/1416466399.db2.gz SBKIWTRLESAKFL-HXUWFJFHSA-N 1 3 392.563 3.267 20 0 GGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC000130845570 1416466406 /nfs/dbraw/zinc/46/64/06/1416466406.db2.gz SBKIWTRLESAKFL-HXUWFJFHSA-N 1 3 392.563 3.267 20 0 GGADHO Cc1cc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)c(C)o1 ZINC000130906775 1416478980 /nfs/dbraw/zinc/47/89/80/1416478980.db2.gz ZDOAZCSSFSOWNF-UHFFFAOYSA-N 1 3 383.536 3.357 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c(C)c2)CC1 ZINC000178539264 1429101711 /nfs/dbraw/zinc/10/17/11/1429101711.db2.gz KPPXXVCEEKANDV-UGKGYDQZSA-N 1 3 399.583 3.085 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c(C)c2)CC1 ZINC000178539264 1429101721 /nfs/dbraw/zinc/10/17/21/1429101721.db2.gz KPPXXVCEEKANDV-UGKGYDQZSA-N 1 3 399.583 3.085 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000131103354 1416508919 /nfs/dbraw/zinc/50/89/19/1416508919.db2.gz UZXNJRXXAKNDLW-LJQANCHMSA-N 1 3 383.584 3.285 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000131750412 1416611249 /nfs/dbraw/zinc/61/12/49/1416611249.db2.gz HQMUZSATZDJGQL-SFHVURJKSA-N 1 3 395.551 3.168 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000131941923 1416656368 /nfs/dbraw/zinc/65/63/68/1416656368.db2.gz HWGRIBIQKDYBLH-SFHVURJKSA-N 1 3 387.572 3.027 20 0 GGADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)N(C)C ZINC000178600729 1429118735 /nfs/dbraw/zinc/11/87/35/1429118735.db2.gz BUUCQPBDRCNMCE-GOSISDBHSA-N 1 3 385.474 3.468 20 0 GGADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)N(C)C ZINC000178600729 1429118738 /nfs/dbraw/zinc/11/87/38/1429118738.db2.gz BUUCQPBDRCNMCE-GOSISDBHSA-N 1 3 385.474 3.468 20 0 GGADHO COc1cc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)ccc1OC(F)F ZINC000132852745 1416823235 /nfs/dbraw/zinc/82/32/35/1416823235.db2.gz FPAIVRDHHIYOHE-LSDHHAIUSA-N 1 3 384.467 3.448 20 0 GGADHO COc1cc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)ccc1OC(F)F ZINC000132852960 1416823382 /nfs/dbraw/zinc/82/33/82/1416823382.db2.gz FPAIVRDHHIYOHE-HUUCEWRRSA-N 1 3 384.467 3.448 20 0 GGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000132881540 1416826660 /nfs/dbraw/zinc/82/66/60/1416826660.db2.gz FZUDDQWBKFRRJG-GHTZIAJQSA-N 1 3 387.572 3.171 20 0 GGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000132881540 1416826663 /nfs/dbraw/zinc/82/66/63/1416826663.db2.gz FZUDDQWBKFRRJG-GHTZIAJQSA-N 1 3 387.572 3.171 20 0 GGADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000132882125 1416826691 /nfs/dbraw/zinc/82/66/91/1416826691.db2.gz SCOFXRYFAZLNQF-MOPGFXCFSA-N 1 3 398.551 3.151 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1Cn1cccn1 ZINC000133074433 1416849136 /nfs/dbraw/zinc/84/91/36/1416849136.db2.gz AMDLSXHYMGHPJZ-RTBURBONSA-N 1 3 398.551 3.092 20 0 GGADHO COc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1Cn1cccn1 ZINC000133074242 1416849151 /nfs/dbraw/zinc/84/91/51/1416849151.db2.gz AMDLSXHYMGHPJZ-RBUKOAKNSA-N 1 3 398.551 3.092 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000133422915 1416888263 /nfs/dbraw/zinc/88/82/63/1416888263.db2.gz ZFMQNMWOPPYGFW-XMSQKQJNSA-N 1 3 399.583 3.171 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000133422915 1416888269 /nfs/dbraw/zinc/88/82/69/1416888269.db2.gz ZFMQNMWOPPYGFW-XMSQKQJNSA-N 1 3 399.583 3.171 20 0 GGADHO CN(CCNCc1ccccc1N(C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000133662861 1416934070 /nfs/dbraw/zinc/93/40/70/1416934070.db2.gz ATFDNGAUNFTTHF-UHFFFAOYSA-N 1 3 390.572 3.174 20 0 GGADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)COc1ccc(F)c(F)c1 ZINC000133680020 1416938611 /nfs/dbraw/zinc/93/86/11/1416938611.db2.gz JOPFGSVBLMGDBR-IBGZPJMESA-N 1 3 390.474 3.001 20 0 GGADHO COCCCN1CCC([NH2+]Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000133730768 1416952836 /nfs/dbraw/zinc/95/28/36/1416952836.db2.gz YQDBHXCYIRXFGV-UHFFFAOYSA-N 1 3 386.492 3.324 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000133834618 1416972911 /nfs/dbraw/zinc/97/29/11/1416972911.db2.gz ZHBRPRWXHFPQSG-UNMCSNQZSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000133834618 1416972914 /nfs/dbraw/zinc/97/29/14/1416972914.db2.gz ZHBRPRWXHFPQSG-UNMCSNQZSA-N 1 3 386.584 3.270 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000133887329 1416988568 /nfs/dbraw/zinc/98/85/68/1416988568.db2.gz QSWCYVSBJIUYGQ-SFHVURJKSA-N 1 3 399.535 3.096 20 0 GGADHO C[C@@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000133998915 1417007717 /nfs/dbraw/zinc/00/77/17/1417007717.db2.gz URNOUGREASSBSL-VGSWGCGISA-N 1 3 386.561 3.499 20 0 GGADHO CN(C)Cc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1F ZINC000134481716 1417074900 /nfs/dbraw/zinc/07/49/00/1417074900.db2.gz NDRCQCHRBKLXAC-IBGZPJMESA-N 1 3 388.487 3.117 20 0 GGADHO c1ccc(-c2nnn(CCCCCN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000134946380 1417150445 /nfs/dbraw/zinc/15/04/45/1417150445.db2.gz DGAGIQABMHPXAM-IFMALSPDSA-N 1 3 394.567 3.459 20 0 GGADHO c1ccc(-c2nnn(CCCCCN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000134946380 1417150456 /nfs/dbraw/zinc/15/04/56/1417150456.db2.gz DGAGIQABMHPXAM-IFMALSPDSA-N 1 3 394.567 3.459 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)C[C@H](C)O1 ZINC000135131030 1417175999 /nfs/dbraw/zinc/17/59/99/1417175999.db2.gz UONBXVQKJSDTHF-BGYRXZFFSA-N 1 3 387.568 3.251 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H](c4ccccc4)C(C)(C)C3)CC2)CC1 ZINC000136183914 1417299522 /nfs/dbraw/zinc/29/95/22/1417299522.db2.gz KLDWWFOADYFXSN-QFIPXVFZSA-N 1 3 398.595 3.380 20 0 GGADHO Cc1cc(Br)ccc1CNCc1ccnc(OCC[NH+](C)C)c1 ZINC000136228737 1417303423 /nfs/dbraw/zinc/30/34/23/1417303423.db2.gz LQLOFUFZZBRNOC-UHFFFAOYSA-N 1 3 378.314 3.383 20 0 GGADHO CN(C/C=C/C[N@H+](C)[C@@H]1CCCc2c1cnn2C)[C@@H]1CCCc2c1cnn2C ZINC000136824219 1417347779 /nfs/dbraw/zinc/34/77/79/1417347779.db2.gz WGQRGNZXPRNQHK-BGEOSOQGSA-N 1 3 382.556 3.028 20 0 GGADHO CN(C/C=C/C[N@@H+](C)[C@@H]1CCCc2c1cnn2C)[C@@H]1CCCc2c1cnn2C ZINC000136824219 1417347786 /nfs/dbraw/zinc/34/77/86/1417347786.db2.gz WGQRGNZXPRNQHK-BGEOSOQGSA-N 1 3 382.556 3.028 20 0 GGADHO C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000138070077 1417404509 /nfs/dbraw/zinc/40/45/09/1417404509.db2.gz VSUUQVXVDLCCOD-OAQYLSRUSA-N 1 3 389.547 3.384 20 0 GGADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000142715738 1417595849 /nfs/dbraw/zinc/59/58/49/1417595849.db2.gz TXCPVBYGPGCFDA-KRWDZBQOSA-N 1 3 383.492 3.434 20 0 GGADHO C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000145588704 1417692624 /nfs/dbraw/zinc/69/26/24/1417692624.db2.gz MOZNFDIAPMOSDD-MOPGFXCFSA-N 1 3 388.625 3.378 20 0 GGADHO C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000145588704 1417692630 /nfs/dbraw/zinc/69/26/30/1417692630.db2.gz MOZNFDIAPMOSDD-MOPGFXCFSA-N 1 3 388.625 3.378 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000150756889 1417800657 /nfs/dbraw/zinc/80/06/57/1417800657.db2.gz AMCGHSIBOGLFTQ-OAQYLSRUSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000150756889 1417800661 /nfs/dbraw/zinc/80/06/61/1417800661.db2.gz AMCGHSIBOGLFTQ-OAQYLSRUSA-N 1 3 386.584 3.270 20 0 GGADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150781444 1417805618 /nfs/dbraw/zinc/80/56/18/1417805618.db2.gz CTHYGIHRRIGVQW-QHCPKHFHSA-N 1 3 398.595 3.066 20 0 GGADHO CC(C)N1CCC([NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 ZINC000151344396 1417931148 /nfs/dbraw/zinc/93/11/48/1417931148.db2.gz FKSPQTFROSBJNC-UHFFFAOYSA-N 1 3 395.975 3.013 20 0 GGADHO CCCN1CCC([NH2+]Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 ZINC000151345213 1417931614 /nfs/dbraw/zinc/93/16/14/1417931614.db2.gz XOMZIENRRHYNJB-UHFFFAOYSA-N 1 3 395.975 3.015 20 0 GGADHO COc1ccc(C[C@H](NCCC[NH+]2CCC(O)CC2)c2ccc(OC)cc2)cc1 ZINC000151363730 1417937257 /nfs/dbraw/zinc/93/72/57/1417937257.db2.gz QOSDDELKVYBRQS-DEOSSOPVSA-N 1 3 398.547 3.424 20 0 GGADHO C[C@H](Cc1ccccc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000151599159 1418036669 /nfs/dbraw/zinc/03/66/69/1418036669.db2.gz RHCHFNOWGLLFNV-MRXNPFEDSA-N 1 3 377.960 3.193 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 ZINC000152090465 1418142547 /nfs/dbraw/zinc/14/25/47/1418142547.db2.gz VFPRCLDTJJNWJK-SFHVURJKSA-N 1 3 387.572 3.171 20 0 GGADHO Cc1ccc2c(c1)[C@@H](NC(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CCC2 ZINC000179329961 1429331156 /nfs/dbraw/zinc/33/11/56/1429331156.db2.gz URAJIMNBXRUOKI-QFIPXVFZSA-N 1 3 384.568 3.230 20 0 GGADHO C[C@@H](C(=O)NCc1ccccc1F)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391740 1429356177 /nfs/dbraw/zinc/35/61/77/1429356177.db2.gz RWDNENSKUNTWOU-SFHVURJKSA-N 1 3 398.526 3.464 20 0 GGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(C)Cc1cccs1 ZINC000179393033 1429356840 /nfs/dbraw/zinc/35/68/40/1429356840.db2.gz REABRNHJVOBGFW-UHFFFAOYSA-N 1 3 386.565 3.340 20 0 GGADHO CC(C)n1nccc1NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393232 1429356958 /nfs/dbraw/zinc/35/69/58/1429356958.db2.gz YZJXIBQACGNLFF-GOSISDBHSA-N 1 3 398.555 3.425 20 0 GGADHO C[C@@H](C(=O)NCc1cccs1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394346 1429357460 /nfs/dbraw/zinc/35/74/60/1429357460.db2.gz QFPAZDGDKRCACI-KRWDZBQOSA-N 1 3 386.565 3.386 20 0 GGADHO C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000179496149 1429394828 /nfs/dbraw/zinc/39/48/28/1429394828.db2.gz LKZXQRITJCZYSQ-WMZHIEFXSA-N 1 3 395.547 3.469 20 0 GGADHO Cc1nccn1-c1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000179509921 1429402395 /nfs/dbraw/zinc/40/23/95/1429402395.db2.gz ZURWFJYSONCPPZ-QGZVFWFLSA-N 1 3 379.508 3.367 20 0 GGADHO COCC[N@H+](C)CCCC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000179679383 1429503777 /nfs/dbraw/zinc/50/37/77/1429503777.db2.gz LJKJEOZWXGNFNP-OAQYLSRUSA-N 1 3 389.540 3.082 20 0 GGADHO COCC[N@@H+](C)CCCC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000179679383 1429503784 /nfs/dbraw/zinc/50/37/84/1429503784.db2.gz LJKJEOZWXGNFNP-OAQYLSRUSA-N 1 3 389.540 3.082 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CN1Cc1ccccc1 ZINC000153094408 1422354415 /nfs/dbraw/zinc/35/44/15/1422354415.db2.gz ZWJXNHBDEYVJOF-GHTZIAJQSA-N 1 3 384.568 3.356 20 0 GGADHO CC(C)[NH+]1CCC(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000153652090 1422679721 /nfs/dbraw/zinc/67/97/21/1422679721.db2.gz VDUZJUOONSDVCT-NRFANRHFSA-N 1 3 395.551 3.389 20 0 GGADHO C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000153739612 1422731605 /nfs/dbraw/zinc/73/16/05/1422731605.db2.gz MGSVNSXKXURADJ-GOSISDBHSA-N 1 3 390.553 3.251 20 0 GGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000154223523 1422857885 /nfs/dbraw/zinc/85/78/85/1422857885.db2.gz BIMCJZQJAVNIAC-FQEVSTJZSA-N 1 3 383.584 3.476 20 0 GGADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000154381869 1422881636 /nfs/dbraw/zinc/88/16/36/1422881636.db2.gz DVRRYKYDTFFJKM-HSZRJFAPSA-N 1 3 392.547 3.421 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000155569136 1423423100 /nfs/dbraw/zinc/42/31/00/1423423100.db2.gz DBNWHGCDERBGOV-WOJBJXKFSA-N 1 3 383.584 3.474 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156353880 1423793898 /nfs/dbraw/zinc/79/38/98/1423793898.db2.gz ALWNCDVVRNANMZ-QFIPXVFZSA-N 1 3 384.568 3.095 20 0 GGADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156385800 1423803106 /nfs/dbraw/zinc/80/31/06/1423803106.db2.gz GAVMUZJQZNRMLV-GOSISDBHSA-N 1 3 377.529 3.116 20 0 GGADHO C[C@H]([NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCOCC1)c1ccccc1 ZINC000156442819 1423810896 /nfs/dbraw/zinc/81/08/96/1423810896.db2.gz FQAGIPIIBPMYPR-IBGZPJMESA-N 1 3 395.547 3.378 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCc4cc(F)ccc43)c2)C1 ZINC000156887725 1423881015 /nfs/dbraw/zinc/88/10/15/1423881015.db2.gz ZTMLOSRVPVDAGI-SIKLNZKXSA-N 1 3 381.495 3.300 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCc4cc(F)ccc43)c2)C1 ZINC000156887725 1423881019 /nfs/dbraw/zinc/88/10/19/1423881019.db2.gz ZTMLOSRVPVDAGI-SIKLNZKXSA-N 1 3 381.495 3.300 20 0 GGADHO Cc1cc(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc(C)c1Cl ZINC000157133130 1423933338 /nfs/dbraw/zinc/93/33/38/1423933338.db2.gz FVOYWHGSIGTXMQ-UHFFFAOYSA-N 1 3 393.959 3.010 20 0 GGADHO CCN(CC)[C@H](CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)c1ccsc1 ZINC000157264021 1423969270 /nfs/dbraw/zinc/96/92/70/1423969270.db2.gz PYFGZILLVMIYHF-MOPGFXCFSA-N 1 3 381.586 3.040 20 0 GGADHO CCN(CC)[C@H](CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)c1ccsc1 ZINC000157263826 1423969285 /nfs/dbraw/zinc/96/92/85/1423969285.db2.gz PYFGZILLVMIYHF-RTBURBONSA-N 1 3 381.586 3.040 20 0 GGADHO c1ccc(-c2nnn(CCCCCN3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000157375551 1423997061 /nfs/dbraw/zinc/99/70/61/1423997061.db2.gz FPZRXXOUTBARIE-NRFANRHFSA-N 1 3 382.556 3.461 20 0 GGADHO CC(C)CS(=O)(=O)N1CCC([NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000180015455 1429692756 /nfs/dbraw/zinc/69/27/56/1429692756.db2.gz ZAPBXPWBZGDIFG-RXVVDRJESA-N 1 3 399.645 3.069 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccccc2F)CC1 ZINC000158703087 1424323033 /nfs/dbraw/zinc/32/30/33/1424323033.db2.gz VHDCGPAWIZPRSX-UHFFFAOYSA-N 1 3 378.536 3.163 20 0 GGADHO C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(F)cc1OC(F)F ZINC000159204045 1424442184 /nfs/dbraw/zinc/44/21/84/1424442184.db2.gz XZSYDDUNWLOZGJ-CQSZACIVSA-N 1 3 394.441 3.425 20 0 GGADHO C[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)cc1OC(F)F ZINC000159204045 1424442197 /nfs/dbraw/zinc/44/21/97/1424442197.db2.gz XZSYDDUNWLOZGJ-CQSZACIVSA-N 1 3 394.441 3.425 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)[C@H](C)C1 ZINC000162786909 1424890579 /nfs/dbraw/zinc/89/05/79/1424890579.db2.gz RNKFLUJMNCQWTP-DYESRHJHSA-N 1 3 385.556 3.111 20 0 GGADHO C[NH+](C)CCc1ccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1 ZINC000163086115 1424937165 /nfs/dbraw/zinc/93/71/65/1424937165.db2.gz SAGOWWDUFHKFSW-UHFFFAOYSA-N 1 3 395.547 3.247 20 0 GGADHO CC[NH+](CC)Cc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)NC)cc2)c1 ZINC000163570684 1425019196 /nfs/dbraw/zinc/01/91/96/1425019196.db2.gz JZMVXTCJTGCYPL-QGZVFWFLSA-N 1 3 389.565 3.287 20 0 GGADHO CC[NH+](CC)Cc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)c1 ZINC000163570571 1425019430 /nfs/dbraw/zinc/01/94/30/1425019430.db2.gz JZMVXTCJTGCYPL-KRWDZBQOSA-N 1 3 389.565 3.287 20 0 GGADHO C[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163671029 1425031625 /nfs/dbraw/zinc/03/16/25/1425031625.db2.gz DFRWSBCLDBRZQZ-RDPSFJRHSA-N 1 3 397.563 3.351 20 0 GGADHO C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000163694893 1425034433 /nfs/dbraw/zinc/03/44/33/1425034433.db2.gz WIPFCARUUGYCHT-YKSBVNFPSA-N 1 3 397.563 3.351 20 0 GGADHO C[C@H](N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000163694994 1425035288 /nfs/dbraw/zinc/03/52/88/1425035288.db2.gz WIPFCARUUGYCHT-GBXCKJPGSA-N 1 3 397.563 3.351 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000163703753 1425036173 /nfs/dbraw/zinc/03/61/73/1425036173.db2.gz RRKNXVKVVRJLHT-QGZVFWFLSA-N 1 3 381.524 3.490 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000163703637 1425036291 /nfs/dbraw/zinc/03/62/91/1425036291.db2.gz RRKNXVKVVRJLHT-KRWDZBQOSA-N 1 3 381.524 3.490 20 0 GGADHO CC[NH+](CC)Cc1ccccc1CN[C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000163789276 1425044092 /nfs/dbraw/zinc/04/40/92/1425044092.db2.gz ZQQYLMHBGMTIJM-QGZVFWFLSA-N 1 3 389.565 3.287 20 0 GGADHO C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000163950196 1425061369 /nfs/dbraw/zinc/06/13/69/1425061369.db2.gz SUXHVEFWERFHAJ-GOSISDBHSA-N 1 3 376.508 3.499 20 0 GGADHO CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)C1CCN(CCc2ccccn2)CC1 ZINC000166553286 1425214395 /nfs/dbraw/zinc/21/43/95/1425214395.db2.gz MCARPKYVMSLKKP-JOCHJYFZSA-N 1 3 380.536 3.027 20 0 GGADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000169001571 1425241097 /nfs/dbraw/zinc/24/10/97/1425241097.db2.gz XGLOPOLHNYNNIL-QFIPXVFZSA-N 1 3 377.532 3.089 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)c(C)c2)CC1 ZINC000170703929 1425307861 /nfs/dbraw/zinc/30/78/61/1425307861.db2.gz GNVQKWQLAXAYJW-UHFFFAOYSA-N 1 3 389.588 3.188 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000170756291 1425329397 /nfs/dbraw/zinc/32/93/97/1425329397.db2.gz BRPGWDWQFWKDAC-MOPGFXCFSA-N 1 3 390.597 3.401 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccsc1 ZINC000171620340 1425760211 /nfs/dbraw/zinc/76/02/11/1425760211.db2.gz HJLYNEHWQLBVGU-RBUKOAKNSA-N 1 3 378.586 3.401 20 0 GGADHO CC(C)(CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000171633261 1425766485 /nfs/dbraw/zinc/76/64/85/1425766485.db2.gz VEBTWXMQKYBQBS-OAQYLSRUSA-N 1 3 384.568 3.093 20 0 GGADHO CSCC[C@@H](C)N(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000172432933 1426042140 /nfs/dbraw/zinc/04/21/40/1426042140.db2.gz OIZNAOZRSKXUJL-GOSISDBHSA-N 1 3 377.598 3.149 20 0 GGADHO CC(C)(CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000172549388 1426083052 /nfs/dbraw/zinc/08/30/52/1426083052.db2.gz AIJQEDCDDDNDKZ-JOCHJYFZSA-N 1 3 398.595 3.483 20 0 GGADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)(N2CCCCC2)CC1 ZINC000172749723 1426172809 /nfs/dbraw/zinc/17/28/09/1426172809.db2.gz WSSIVUILFHSBER-RTBURBONSA-N 1 3 391.506 3.135 20 0 GGADHO C[C@H](CCc1ccccc1F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000172929694 1426269356 /nfs/dbraw/zinc/26/93/56/1426269356.db2.gz PEPHPVRJAQICHR-QGZVFWFLSA-N 1 3 375.532 3.069 20 0 GGADHO CN(C)[C@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000173323607 1426505887 /nfs/dbraw/zinc/50/58/87/1426505887.db2.gz GZKORVOZBUCXRA-FYYLOGMGSA-N 1 3 394.563 3.453 20 0 GGADHO CN(C)[C@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000173323607 1426505897 /nfs/dbraw/zinc/50/58/97/1426505897.db2.gz GZKORVOZBUCXRA-FYYLOGMGSA-N 1 3 394.563 3.453 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1OC ZINC000173335304 1426516529 /nfs/dbraw/zinc/51/65/29/1426516529.db2.gz QGLKAVQHKPHRCU-GOSISDBHSA-N 1 3 383.536 3.302 20 0 GGADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccs2)CC1 ZINC000173402395 1426585510 /nfs/dbraw/zinc/58/55/10/1426585510.db2.gz FLJQJWAVCJWNCY-CEXWTWQISA-N 1 3 390.597 3.399 20 0 GGADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccs2)CC1 ZINC000173402395 1426585515 /nfs/dbraw/zinc/58/55/15/1426585515.db2.gz FLJQJWAVCJWNCY-CEXWTWQISA-N 1 3 390.597 3.399 20 0 GGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173503645 1426672355 /nfs/dbraw/zinc/67/23/55/1426672355.db2.gz GFQDLIDRHVHZGW-UHFFFAOYSA-N 1 3 399.535 3.211 20 0 GGADHO C[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)N1CCCCCC1 ZINC000173570763 1426737758 /nfs/dbraw/zinc/73/77/58/1426737758.db2.gz VLWMVKSIKDOLFV-VQTJNVASSA-N 1 3 387.568 3.267 20 0 GGADHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCOCC1)c1ccccc1 ZINC000173570831 1426738558 /nfs/dbraw/zinc/73/85/58/1426738558.db2.gz VLWMVKSIKDOLFV-WOJBJXKFSA-N 1 3 387.568 3.267 20 0 GGADHO COc1ccc(NC(=O)CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000173976995 1426921907 /nfs/dbraw/zinc/92/19/07/1426921907.db2.gz FALRUHRPWHKSCY-HXUWFJFHSA-N 1 3 381.520 3.478 20 0 GGADHO COc1ccc(NC(=O)CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000173976995 1426921912 /nfs/dbraw/zinc/92/19/12/1426921912.db2.gz FALRUHRPWHKSCY-HXUWFJFHSA-N 1 3 381.520 3.478 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccsc1 ZINC000174157045 1427024706 /nfs/dbraw/zinc/02/47/06/1427024706.db2.gz PPVQWHYHNHNDER-MJGOQNOKSA-N 1 3 378.586 3.258 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000174216756 1427055136 /nfs/dbraw/zinc/05/51/36/1427055136.db2.gz FUBBZPPSZJIICQ-IRLDBZIGSA-N 1 3 384.568 3.259 20 0 GGADHO CN(CCC(=O)Nc1ccc2c(c1)OCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400596 1427140040 /nfs/dbraw/zinc/14/00/40/1427140040.db2.gz XJIOVRWWIXCLCG-IBGZPJMESA-N 1 3 395.503 3.198 20 0 GGADHO CN(CCC(=O)Nc1ccc2c(c1)OCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400596 1427140046 /nfs/dbraw/zinc/14/00/46/1427140046.db2.gz XJIOVRWWIXCLCG-IBGZPJMESA-N 1 3 395.503 3.198 20 0 GGADHO CN(CCC(=O)N1CCc2sccc2C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174401404 1427140384 /nfs/dbraw/zinc/14/03/84/1427140384.db2.gz XRVLCCXOJXCFMJ-HXUWFJFHSA-N 1 3 397.588 3.477 20 0 GGADHO CN(CCC(=O)N1CCc2sccc2C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174401404 1427140391 /nfs/dbraw/zinc/14/03/91/1427140391.db2.gz XRVLCCXOJXCFMJ-HXUWFJFHSA-N 1 3 397.588 3.477 20 0 GGADHO CN(CCC(=O)N1CCc2sccc2C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174401386 1427140667 /nfs/dbraw/zinc/14/06/67/1427140667.db2.gz XRVLCCXOJXCFMJ-FQEVSTJZSA-N 1 3 397.588 3.477 20 0 GGADHO CN(CCC(=O)N1CCc2sccc2C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174401386 1427140672 /nfs/dbraw/zinc/14/06/72/1427140672.db2.gz XRVLCCXOJXCFMJ-FQEVSTJZSA-N 1 3 397.588 3.477 20 0 GGADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)Cc1cccc(F)c1 ZINC000174404088 1427141791 /nfs/dbraw/zinc/14/17/91/1427141791.db2.gz AMJQFTZTGHUOIC-KRWDZBQOSA-N 1 3 375.532 3.069 20 0 GGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc(-c2ccccc2)nc1C ZINC000174458156 1427165380 /nfs/dbraw/zinc/16/53/80/1427165380.db2.gz ZFVDOFKHTPEHFW-LJQANCHMSA-N 1 3 384.524 3.138 20 0 GGADHO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174715888 1427327468 /nfs/dbraw/zinc/32/74/68/1427327468.db2.gz SUXKLQJLQSXIFB-HXUWFJFHSA-N 1 3 394.563 3.250 20 0 GGADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000175539960 1427808636 /nfs/dbraw/zinc/80/86/36/1427808636.db2.gz FBXVYSJUJMSQEL-DYXWJJEUSA-N 1 3 388.556 3.004 20 0 GGADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000175636668 1427839816 /nfs/dbraw/zinc/83/98/16/1427839816.db2.gz JFDNXYGTVJCDLU-NRFANRHFSA-N 1 3 384.568 3.357 20 0 GGADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000175770930 1427887076 /nfs/dbraw/zinc/88/70/76/1427887076.db2.gz CFPLMSZMDICGKT-HXUWFJFHSA-N 1 3 390.597 3.226 20 0 GGADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176019528 1428030082 /nfs/dbraw/zinc/03/00/82/1428030082.db2.gz ZIGRQQAJZORKSE-UHFFFAOYSA-N 1 3 390.547 3.306 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000176139986 1428113373 /nfs/dbraw/zinc/11/33/73/1428113373.db2.gz ZMYITHFYAXNLRT-OAQYLSRUSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000176139986 1428113382 /nfs/dbraw/zinc/11/33/82/1428113382.db2.gz ZMYITHFYAXNLRT-OAQYLSRUSA-N 1 3 386.584 3.413 20 0 GGADHO CC[C@@H](Oc1ccccc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176218134 1428173833 /nfs/dbraw/zinc/17/38/33/1428173833.db2.gz UEZIJWDOSZDQSM-LJQANCHMSA-N 1 3 393.959 3.172 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000180312671 1429833396 /nfs/dbraw/zinc/83/33/96/1429833396.db2.gz DBMGERDWVRDHNH-NCXUSEDFSA-N 1 3 383.577 3.159 20 0 GGADHO C[C@H]1CN(CCCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000180312260 1429833428 /nfs/dbraw/zinc/83/34/28/1429833428.db2.gz XKOCSEAXMFSBFJ-YXWAVELNSA-N 1 3 383.577 3.301 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000180312271 1429833594 /nfs/dbraw/zinc/83/35/94/1429833594.db2.gz XKOCSEAXMFSBFJ-YYZRRKBYSA-N 1 3 383.577 3.301 20 0 GGADHO Cc1cccc(C2=CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2)c1 ZINC000180344931 1429841091 /nfs/dbraw/zinc/84/10/91/1429841091.db2.gz FYEZRZKHHQMXAQ-UHFFFAOYSA-N 1 3 396.579 3.352 20 0 GGADHO C[C@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000180633466 1429945096 /nfs/dbraw/zinc/94/50/96/1429945096.db2.gz CNBAEKGGFYSOPR-ROUUACIJSA-N 1 3 376.589 3.429 20 0 GGADHO C[C@H]1C[NH+](CCC2CCN(Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000180633466 1429945108 /nfs/dbraw/zinc/94/51/08/1429945108.db2.gz CNBAEKGGFYSOPR-ROUUACIJSA-N 1 3 376.589 3.429 20 0 GGADHO CN(C)Cc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000180708426 1429991005 /nfs/dbraw/zinc/99/10/05/1429991005.db2.gz NFSYDHHQQQYBLI-QFIPXVFZSA-N 1 3 396.535 3.027 20 0 GGADHO CN(C)Cc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000180708426 1429991020 /nfs/dbraw/zinc/99/10/20/1429991020.db2.gz NFSYDHHQQQYBLI-QFIPXVFZSA-N 1 3 396.535 3.027 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000180901261 1430098366 /nfs/dbraw/zinc/09/83/66/1430098366.db2.gz SAQGKTJVHDJJPA-XMMPIXPASA-N 1 3 398.595 3.138 20 0 GGADHO Cc1nc(C)c([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000180975224 1430146017 /nfs/dbraw/zinc/14/60/17/1430146017.db2.gz UBMMXGRMNBAXAO-HNNXBMFYSA-N 1 3 386.565 3.436 20 0 GGADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)CCO2 ZINC000180975161 1430146223 /nfs/dbraw/zinc/14/62/23/1430146223.db2.gz PSKUDSJHNNXXKW-GOSISDBHSA-N 1 3 393.531 3.298 20 0 GGADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1N(C)C ZINC000180998175 1430159264 /nfs/dbraw/zinc/15/92/64/1430159264.db2.gz SXEIGSAZNHQBGE-INIZCTEOSA-N 1 3 386.515 3.034 20 0 GGADHO COc1cc(C)c([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1OC ZINC000181000828 1430160736 /nfs/dbraw/zinc/16/07/36/1430160736.db2.gz JNCKKMBBYQGXNR-QGZVFWFLSA-N 1 3 399.535 3.154 20 0 GGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181410989 1430291069 /nfs/dbraw/zinc/29/10/69/1430291069.db2.gz ANWHWFBBCHEZRV-WTOYTKOKSA-N 1 3 385.552 3.232 20 0 GGADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc(OC)c1OC ZINC000181418001 1430293346 /nfs/dbraw/zinc/29/33/46/1430293346.db2.gz SGDUUIYRVZSBCZ-IPELMVKDSA-N 1 3 392.540 3.131 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000181518901 1430314157 /nfs/dbraw/zinc/31/41/57/1430314157.db2.gz QBPCILDHEGQLQQ-ROUUACIJSA-N 1 3 391.556 3.379 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000181518901 1430314161 /nfs/dbraw/zinc/31/41/61/1430314161.db2.gz QBPCILDHEGQLQQ-ROUUACIJSA-N 1 3 391.556 3.379 20 0 GGADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181531814 1430316398 /nfs/dbraw/zinc/31/63/98/1430316398.db2.gz GIQIUUCGNQRQRJ-ZRBLBEILSA-N 1 3 385.596 3.378 20 0 GGADHO C[C@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(O)c1 ZINC000181536925 1430317118 /nfs/dbraw/zinc/31/71/18/1430317118.db2.gz JKLDKRXSNXRFGT-INIZCTEOSA-N 1 3 385.533 3.230 20 0 GGADHO C[C@H]1CN(CC2CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)C[C@H](C)O1 ZINC000181675783 1430339837 /nfs/dbraw/zinc/33/98/37/1430339837.db2.gz PYTWQHZOZVWVBQ-OALUTQOASA-N 1 3 393.616 3.092 20 0 GGADHO CN(c1ccccc1CN[C@H]1CC(=O)N(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000181959560 1430388391 /nfs/dbraw/zinc/38/83/91/1430388391.db2.gz AAPGIQQWBRXHQP-FQEVSTJZSA-N 1 3 392.547 3.112 20 0 GGADHO CN(c1ccccc1CN[C@@H]1CC(=O)N(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000181959442 1430388496 /nfs/dbraw/zinc/38/84/96/1430388496.db2.gz AAPGIQQWBRXHQP-HXUWFJFHSA-N 1 3 392.547 3.112 20 0 GGADHO COc1ccc([C@H](C)[NH2+]CCCN2CCOCC2)cc1CN1CCCCC1 ZINC000182187074 1430426708 /nfs/dbraw/zinc/42/67/08/1430426708.db2.gz FSAYZIZHUNLNGV-IBGZPJMESA-N 1 3 375.557 3.054 20 0 GGADHO CC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182242882 1430435866 /nfs/dbraw/zinc/43/58/66/1430435866.db2.gz SKJFNDSGNOFIDQ-GAJHUEQPSA-N 1 3 381.520 3.453 20 0 GGADHO CC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182242882 1430435869 /nfs/dbraw/zinc/43/58/69/1430435869.db2.gz SKJFNDSGNOFIDQ-GAJHUEQPSA-N 1 3 381.520 3.453 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000182247137 1430436569 /nfs/dbraw/zinc/43/65/69/1430436569.db2.gz UVYNAUBBVGZJNP-DYESRHJHSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000182247137 1430436571 /nfs/dbraw/zinc/43/65/71/1430436571.db2.gz UVYNAUBBVGZJNP-DYESRHJHSA-N 1 3 382.504 3.265 20 0 GGADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000182259085 1430438712 /nfs/dbraw/zinc/43/87/12/1430438712.db2.gz RNVLDLPOAWARMS-LEWJYISDSA-N 1 3 382.504 3.265 20 0 GGADHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000182259085 1430438714 /nfs/dbraw/zinc/43/87/14/1430438714.db2.gz RNVLDLPOAWARMS-LEWJYISDSA-N 1 3 382.504 3.265 20 0 GGADHO CC1CC[NH+](Cc2ccc(CN[C@H]3CCCC[C@H]3S(C)(=O)=O)cc2)CC1 ZINC000182266470 1430439640 /nfs/dbraw/zinc/43/96/40/1430439640.db2.gz CQDCPMVHNKRJOE-LEWJYISDSA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(N2CCOC2=O)c1 ZINC000182272002 1430440745 /nfs/dbraw/zinc/44/07/45/1430440745.db2.gz KULAYPASGQARJV-VGSWGCGISA-N 1 3 395.503 3.061 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(N2CCOC2=O)c1 ZINC000182272002 1430440748 /nfs/dbraw/zinc/44/07/48/1430440748.db2.gz KULAYPASGQARJV-VGSWGCGISA-N 1 3 395.503 3.061 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000182272413 1430440777 /nfs/dbraw/zinc/44/07/77/1430440777.db2.gz BNJZKCNXLAWCRQ-UWJYYQICSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000182272413 1430440779 /nfs/dbraw/zinc/44/07/79/1430440779.db2.gz BNJZKCNXLAWCRQ-UWJYYQICSA-N 1 3 382.504 3.265 20 0 GGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCO2 ZINC000182273095 1430441262 /nfs/dbraw/zinc/44/12/62/1430441262.db2.gz BBXPEYAVORSISE-SIKLNZKXSA-N 1 3 382.504 3.265 20 0 GGADHO COc1ccc2c(c1)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182273095 1430441265 /nfs/dbraw/zinc/44/12/65/1430441265.db2.gz BBXPEYAVORSISE-SIKLNZKXSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)C1 ZINC000182430186 1430466371 /nfs/dbraw/zinc/46/63/71/1430466371.db2.gz LBKBJDCSOYJVDL-UIFIKXQLSA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)C1 ZINC000182430186 1430466375 /nfs/dbraw/zinc/46/63/75/1430466375.db2.gz LBKBJDCSOYJVDL-UIFIKXQLSA-N 1 3 378.582 3.364 20 0 GGADHO COc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)cc1CN1CCCCC1 ZINC000182440246 1430468426 /nfs/dbraw/zinc/46/84/26/1430468426.db2.gz MRLOXZCZVKQNOF-RTBURBONSA-N 1 3 375.557 3.052 20 0 GGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2CCN(C(C)=O)CC2)ccc1OC ZINC000182856527 1430554598 /nfs/dbraw/zinc/55/45/98/1430554598.db2.gz WCNLFCDQOZWNOM-QGZVFWFLSA-N 1 3 375.557 3.446 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182914049 1430570039 /nfs/dbraw/zinc/57/00/39/1430570039.db2.gz TUBUGNKQHRJHOS-MSOLQXFVSA-N 1 3 392.613 3.474 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182914049 1430570040 /nfs/dbraw/zinc/57/00/40/1430570040.db2.gz TUBUGNKQHRJHOS-MSOLQXFVSA-N 1 3 392.613 3.474 20 0 GGADHO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182951626 1430579447 /nfs/dbraw/zinc/57/94/47/1430579447.db2.gz XGUFRQSXJWUFNH-LJQANCHMSA-N 1 3 387.568 3.400 20 0 GGADHO Clc1ccc2nc(CN3CCC(CCC[NH+]4CCOCC4)CC3)cn2c1 ZINC000182952585 1430579681 /nfs/dbraw/zinc/57/96/81/1430579681.db2.gz RCYKNRYHPRCYTK-UHFFFAOYSA-N 1 3 376.932 3.312 20 0 GGADHO Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182975072 1430583568 /nfs/dbraw/zinc/58/35/68/1430583568.db2.gz QJXUDURPRVNGIQ-SFHVURJKSA-N 1 3 391.531 3.286 20 0 GGADHO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183214737 1430650188 /nfs/dbraw/zinc/65/01/88/1430650188.db2.gz PHVDWQUBQHBVFT-KRWDZBQOSA-N 1 3 375.557 3.494 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NCC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC000183226488 1430652853 /nfs/dbraw/zinc/65/28/53/1430652853.db2.gz SUVKOIXCISOPSO-SJORKVTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c(OC)c1 ZINC000183226488 1430652861 /nfs/dbraw/zinc/65/28/61/1430652861.db2.gz SUVKOIXCISOPSO-SJORKVTESA-N 1 3 377.529 3.275 20 0 GGADHO CCc1ccc([C@@H](CN2CCOCC2)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000183326800 1430680388 /nfs/dbraw/zinc/68/03/88/1430680388.db2.gz FQZKRXBVISGCOG-XMMPIXPASA-N 1 3 381.564 3.474 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000183385894 1430697189 /nfs/dbraw/zinc/69/71/89/1430697189.db2.gz WRFYBGATXYHFOC-CQSZACIVSA-N 1 3 375.513 3.089 20 0 GGADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)ccc1OC ZINC000183396627 1430700923 /nfs/dbraw/zinc/70/09/23/1430700923.db2.gz BVQHXMXFQOWEQB-INIZCTEOSA-N 1 3 382.570 3.012 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1CN1CCCCC1 ZINC000183396708 1430701005 /nfs/dbraw/zinc/70/10/05/1430701005.db2.gz DLZLHGSTKANNAA-QGZVFWFLSA-N 1 3 394.581 3.157 20 0 GGADHO CC(C)[C@@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000184445395 1430888763 /nfs/dbraw/zinc/88/87/63/1430888763.db2.gz DMMBYYJQPJOPJT-RTBURBONSA-N 1 3 378.605 3.449 20 0 GGADHO Cc1oc2ccccc2c1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184568011 1430906941 /nfs/dbraw/zinc/90/69/41/1430906941.db2.gz SVURGJQUDWHHQG-UHFFFAOYSA-N 1 3 384.524 3.099 20 0 GGADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000184671177 1430938060 /nfs/dbraw/zinc/93/80/60/1430938060.db2.gz FJNWQMUITADFHA-KRWDZBQOSA-N 1 3 383.458 3.269 20 0 GGADHO C[C@H](CCNC(=O)NC[C@H](c1cccs1)N1CCCC1)[NH+]1CCCCC1 ZINC000184717620 1430951366 /nfs/dbraw/zinc/95/13/66/1430951366.db2.gz GGJRHNFYZYYRNM-QZTJIDSGSA-N 1 3 378.586 3.449 20 0 GGADHO C[C@H](CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[NH+]1CCCCC1 ZINC000184717579 1430951510 /nfs/dbraw/zinc/95/15/10/1430951510.db2.gz GGJRHNFYZYYRNM-MSOLQXFVSA-N 1 3 378.586 3.449 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000184742500 1430961518 /nfs/dbraw/zinc/96/15/18/1430961518.db2.gz WAJBUVMERHRDNB-QZTJIDSGSA-N 1 3 397.588 3.379 20 0 GGADHO Cc1ccsc1CNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184747315 1430963781 /nfs/dbraw/zinc/96/37/81/1430963781.db2.gz WDRPKXAZABQPKV-QZTJIDSGSA-N 1 3 385.577 3.419 20 0 GGADHO COc1cccc(CNC(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000184747102 1430963798 /nfs/dbraw/zinc/96/37/98/1430963798.db2.gz JMELCSHWYJKMND-OALUTQOASA-N 1 3 395.547 3.058 20 0 GGADHO Cc1cccc(CNC(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000184752906 1430966019 /nfs/dbraw/zinc/96/60/19/1430966019.db2.gz NKUHECCRIWCFDE-WOJBJXKFSA-N 1 3 379.548 3.357 20 0 GGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC000184901408 1431017090 /nfs/dbraw/zinc/01/70/90/1431017090.db2.gz ARBKMRRWHHTGQO-IBGZPJMESA-N 1 3 387.572 3.024 20 0 GGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC000184901408 1431017093 /nfs/dbraw/zinc/01/70/93/1431017093.db2.gz ARBKMRRWHHTGQO-IBGZPJMESA-N 1 3 387.572 3.024 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NCC[C@@H](C)[NH+]3CCCCC3)c2)CC1 ZINC000184903581 1431017690 /nfs/dbraw/zinc/01/76/90/1431017690.db2.gz CVZRVBTTZGMFMO-LJQANCHMSA-N 1 3 387.572 3.215 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c2)CC1 ZINC000184914772 1431020104 /nfs/dbraw/zinc/02/01/04/1431020104.db2.gz PSJVJYGAGHKBTN-HXUWFJFHSA-N 1 3 389.588 3.316 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c2)CC1 ZINC000184914754 1431020125 /nfs/dbraw/zinc/02/01/25/1431020125.db2.gz PSJVJYGAGHKBTN-FQEVSTJZSA-N 1 3 389.588 3.316 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)c2)CC1 ZINC000184915822 1431020162 /nfs/dbraw/zinc/02/01/62/1431020162.db2.gz YYOWMIJXLIZBIA-UHFFFAOYSA-N 1 3 399.583 3.357 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)c2)CC1 ZINC000184921253 1431021949 /nfs/dbraw/zinc/02/19/49/1431021949.db2.gz XFMUKDRCZJLAOF-OAQYLSRUSA-N 1 3 399.583 3.215 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)c2)CC1 ZINC000184921253 1431021953 /nfs/dbraw/zinc/02/19/53/1431021953.db2.gz XFMUKDRCZJLAOF-OAQYLSRUSA-N 1 3 399.583 3.215 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NC3CCC(C[NH+](C)C)CC3)c2)CC1 ZINC000184922151 1431022102 /nfs/dbraw/zinc/02/21/02/1431022102.db2.gz NUKOAYOUWCBZOU-UHFFFAOYSA-N 1 3 387.572 3.070 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NCCC[NH+](C(C)C)C(C)C)c2)CC1 ZINC000184925153 1431022886 /nfs/dbraw/zinc/02/28/86/1431022886.db2.gz ZLXXUGYAWZSJEU-UHFFFAOYSA-N 1 3 389.588 3.459 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccco3)c2)CC1 ZINC000184926433 1431023277 /nfs/dbraw/zinc/02/32/77/1431023277.db2.gz VWCOYIUAZQEWMW-UHFFFAOYSA-N 1 3 399.539 3.017 20 0 GGADHO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184927926 1431023394 /nfs/dbraw/zinc/02/33/94/1431023394.db2.gz MUBLBTDBCXZQTF-UHFFFAOYSA-N 1 3 389.588 3.414 20 0 GGADHO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])N1CC[NH+](C)CC1 ZINC000184977425 1431035038 /nfs/dbraw/zinc/03/50/38/1431035038.db2.gz YWHQSHYPLBGEDW-WMLDXEAASA-N 1 3 384.362 3.077 20 0 GGADHO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1(C)C ZINC000185242788 1431092340 /nfs/dbraw/zinc/09/23/40/1431092340.db2.gz SHEZUKZECIFXMQ-RTWAWAEBSA-N 1 3 387.568 3.194 20 0 GGADHO CN(C)CC1(C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CCCC1 ZINC000185291535 1431101395 /nfs/dbraw/zinc/10/13/95/1431101395.db2.gz PTDSZMDPWHMDLT-UHFFFAOYSA-N 1 3 398.551 3.460 20 0 GGADHO C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000185352801 1431123284 /nfs/dbraw/zinc/12/32/84/1431123284.db2.gz IKKABTSCECRCOF-CQSZACIVSA-N 1 3 384.362 3.079 20 0 GGADHO C[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1COc2ccccc21 ZINC000185545209 1431168136 /nfs/dbraw/zinc/16/81/36/1431168136.db2.gz ZZXBNQKJYXHVMI-PGRDOPGGSA-N 1 3 393.531 3.053 20 0 GGADHO Cc1cc2ncn(C[C@H](O)CN[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000185761144 1431227254 /nfs/dbraw/zinc/22/72/54/1431227254.db2.gz FYDFOTOHFTWOOG-QKNQBKEWSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@H](O)CN[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2cc1C ZINC000185761144 1431227257 /nfs/dbraw/zinc/22/72/57/1431227257.db2.gz FYDFOTOHFTWOOG-QKNQBKEWSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)[C@@H]3CCCN(C4CCC4)C3)c2cc1C ZINC000185761144 1431227260 /nfs/dbraw/zinc/22/72/60/1431227260.db2.gz FYDFOTOHFTWOOG-QKNQBKEWSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1ccc(-c2c[nH]cc2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000188833684 1431993062 /nfs/dbraw/zinc/99/30/62/1431993062.db2.gz MPKZJZUMSGQSFB-UHFFFAOYSA-N 1 3 386.565 3.340 20 0 GGADHO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCCN1CCCCC1 ZINC000189243829 1432070353 /nfs/dbraw/zinc/07/03/53/1432070353.db2.gz IKNVEESUXPHPKY-SFHVURJKSA-N 1 3 379.570 3.095 20 0 GGADHO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCCN1CCCCC1 ZINC000189243829 1432070359 /nfs/dbraw/zinc/07/03/59/1432070359.db2.gz IKNVEESUXPHPKY-SFHVURJKSA-N 1 3 379.570 3.095 20 0 GGADHO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCCN1CCCCC1 ZINC000189243849 1432070494 /nfs/dbraw/zinc/07/04/94/1432070494.db2.gz IKNVEESUXPHPKY-GOSISDBHSA-N 1 3 379.570 3.095 20 0 GGADHO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCCN1CCCCC1 ZINC000189243849 1432070501 /nfs/dbraw/zinc/07/05/01/1432070501.db2.gz IKNVEESUXPHPKY-GOSISDBHSA-N 1 3 379.570 3.095 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)CC2)CC1 ZINC000189781596 1432233779 /nfs/dbraw/zinc/23/37/79/1432233779.db2.gz JLHHGRPGTXBNQT-IRLDBZIGSA-N 1 3 398.595 3.256 20 0 GGADHO COc1cccc(CN(CCN(C)C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000191128982 1432573124 /nfs/dbraw/zinc/57/31/24/1432573124.db2.gz OKPVCEJPTGGXSJ-UHFFFAOYSA-N 1 3 390.572 3.031 20 0 GGADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000192232417 1432820364 /nfs/dbraw/zinc/82/03/64/1432820364.db2.gz VWCHSXOCSAJOQX-FYYLOGMGSA-N 1 3 399.579 3.048 20 0 GGADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000192232417 1432820365 /nfs/dbraw/zinc/82/03/65/1432820365.db2.gz VWCHSXOCSAJOQX-FYYLOGMGSA-N 1 3 399.579 3.048 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000192751925 1432884580 /nfs/dbraw/zinc/88/45/80/1432884580.db2.gz KMQOOOVKJGHXHB-WOJBJXKFSA-N 1 3 396.620 3.028 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000192751925 1432884582 /nfs/dbraw/zinc/88/45/82/1432884582.db2.gz KMQOOOVKJGHXHB-WOJBJXKFSA-N 1 3 396.620 3.028 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000192751937 1432884691 /nfs/dbraw/zinc/88/46/91/1432884691.db2.gz KMQOOOVKJGHXHB-VQTJNVASSA-N 1 3 396.620 3.028 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000192751937 1432884694 /nfs/dbraw/zinc/88/46/94/1432884694.db2.gz KMQOOOVKJGHXHB-VQTJNVASSA-N 1 3 396.620 3.028 20 0 GGADHO O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000192763059 1432886536 /nfs/dbraw/zinc/88/65/36/1432886536.db2.gz UHKNUBMGDPMUDF-NRFANRHFSA-N 1 3 393.535 3.143 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000192775118 1432888837 /nfs/dbraw/zinc/88/88/37/1432888837.db2.gz DVUUXOWOZICFRI-YADHBBJMSA-N 1 3 377.548 3.130 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000192775118 1432888839 /nfs/dbraw/zinc/88/88/39/1432888839.db2.gz DVUUXOWOZICFRI-YADHBBJMSA-N 1 3 377.548 3.130 20 0 GGADHO CC[C@](C)(COc1ncccc1Cl)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192775039 1432888877 /nfs/dbraw/zinc/88/88/77/1432888877.db2.gz KJIMRXCDHZLOAK-HXUWFJFHSA-N 1 3 382.980 3.288 20 0 GGADHO CC(C)[NH+]1CCN(CCCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000192776843 1432889156 /nfs/dbraw/zinc/88/91/56/1432889156.db2.gz GIDAIEGAJQQVKO-UHFFFAOYSA-N 1 3 398.517 3.244 20 0 GGADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000192848551 1432898562 /nfs/dbraw/zinc/89/85/62/1432898562.db2.gz SDZVIQXPFAZPKT-PMACEKPBSA-N 1 3 383.939 3.315 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000193844748 1433071593 /nfs/dbraw/zinc/07/15/93/1433071593.db2.gz NKWYECAPOALVLM-UHFFFAOYSA-N 1 3 376.545 3.148 20 0 GGADHO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000195132956 1433296876 /nfs/dbraw/zinc/29/68/76/1433296876.db2.gz MAJXMGLLTAWWSN-UYAOXDASSA-N 1 3 382.504 3.411 20 0 GGADHO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000195132824 1433297084 /nfs/dbraw/zinc/29/70/84/1433297084.db2.gz CFLJKGBLKKLFFZ-SJLPKXTDSA-N 1 3 390.524 3.402 20 0 GGADHO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000195136972 1433297627 /nfs/dbraw/zinc/29/76/27/1433297627.db2.gz SAKUSQFROFNARG-PKOBYXMFSA-N 1 3 387.549 3.231 20 0 GGADHO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000195136972 1433297631 /nfs/dbraw/zinc/29/76/31/1433297631.db2.gz SAKUSQFROFNARG-PKOBYXMFSA-N 1 3 387.549 3.231 20 0 GGADHO Cc1cc(N2CCCC2)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195342944 1433320710 /nfs/dbraw/zinc/32/07/10/1433320710.db2.gz YCOUPURJDQHUSN-UHFFFAOYSA-N 1 3 399.583 3.275 20 0 GGADHO COc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000195341342 1433320892 /nfs/dbraw/zinc/32/08/92/1433320892.db2.gz OYRVDGSZMAZUKK-UHFFFAOYSA-N 1 3 380.920 3.029 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000195341860 1433320913 /nfs/dbraw/zinc/32/09/13/1433320913.db2.gz AOUQIUSYHJRLDI-UHFFFAOYSA-N 1 3 384.446 3.386 20 0 GGADHO CCCOc1cc(C)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195344288 1433321221 /nfs/dbraw/zinc/32/12/21/1433321221.db2.gz VWIBJUIGIHMUSQ-UHFFFAOYSA-N 1 3 388.556 3.464 20 0 GGADHO CC[NH+](CC)CCOc1cc(NC(=O)C[C@@H](N)c2ccccc2)ccc1OC ZINC000236877389 1433381704 /nfs/dbraw/zinc/38/17/04/1433381704.db2.gz HDIFHKUJYAWUEL-LJQANCHMSA-N 1 3 385.508 3.444 20 0 GGADHO CCN(CC)[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236877535 1433381741 /nfs/dbraw/zinc/38/17/41/1433381741.db2.gz ABIGKGYUEKFVFF-LAUBAEHRSA-N 1 3 375.557 3.220 20 0 GGADHO CC[NH+](CC)CCOc1ccc(CNCc2cnc3c(c2)c(C)nn3C)cc1 ZINC000236891640 1433382217 /nfs/dbraw/zinc/38/22/17/1433382217.db2.gz XTWIGRYXJAGMGD-UHFFFAOYSA-N 1 3 381.524 3.287 20 0 GGADHO CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1OC ZINC000237005085 1433385747 /nfs/dbraw/zinc/38/57/47/1433385747.db2.gz WPZWLBBIIAKIPV-ZDUSSCGKSA-N 1 3 383.330 3.430 20 0 GGADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000237131219 1433390290 /nfs/dbraw/zinc/39/02/90/1433390290.db2.gz GGHNUCITGZUJPK-XMMPIXPASA-N 1 3 395.591 3.153 20 0 GGADHO COc1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc(OC)c1O ZINC000237257419 1433394555 /nfs/dbraw/zinc/39/45/55/1433394555.db2.gz KUJISRCCKTZWDS-UHFFFAOYSA-N 1 3 386.492 3.174 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000237364318 1433399229 /nfs/dbraw/zinc/39/92/29/1433399229.db2.gz QDDLQFLSMKAFQJ-HKUYNNGSSA-N 1 3 375.582 3.242 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000237480164 1433405607 /nfs/dbraw/zinc/40/56/07/1433405607.db2.gz WIFKORJLFWQQCJ-DENIHFKCSA-N 1 3 377.532 3.087 20 0 GGADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)C[C@H](C)O1 ZINC000237605465 1433412372 /nfs/dbraw/zinc/41/23/72/1433412372.db2.gz QANBHYUXEUHQPK-XQBPLPMBSA-N 1 3 387.568 3.205 20 0 GGADHO Cc1cccn2c(C[NH2+]CCCCN3CCN(Cc4ccccc4)CC3)cnc12 ZINC000237844239 1433428175 /nfs/dbraw/zinc/42/81/75/1433428175.db2.gz WNFDFCNTFQSVGL-UHFFFAOYSA-N 1 3 391.563 3.330 20 0 GGADHO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000237934486 1433435598 /nfs/dbraw/zinc/43/55/98/1433435598.db2.gz YVWWOJLGXHPNPC-NRFANRHFSA-N 1 3 381.564 3.423 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3cccc4[nH]ccc43)c2)C1 ZINC000237939382 1433435982 /nfs/dbraw/zinc/43/59/82/1433435982.db2.gz DLRJMEXXDQGKCG-FQEVSTJZSA-N 1 3 376.504 3.155 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc4[nH]ccc43)c2)C1 ZINC000237939382 1433435984 /nfs/dbraw/zinc/43/59/84/1433435984.db2.gz DLRJMEXXDQGKCG-FQEVSTJZSA-N 1 3 376.504 3.155 20 0 GGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000238075791 1433442095 /nfs/dbraw/zinc/44/20/95/1433442095.db2.gz LJTFUBWLKCARTG-UHFFFAOYSA-N 1 3 376.504 3.283 20 0 GGADHO C[C@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000245552671 1433483967 /nfs/dbraw/zinc/48/39/67/1433483967.db2.gz QOWZBZNXQLLMIG-XIBWBMNSSA-N 1 3 395.588 3.396 20 0 GGADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000245850900 1433525995 /nfs/dbraw/zinc/52/59/95/1433525995.db2.gz GIQIUUCGNQRQRJ-YTFSRNRJSA-N 1 3 385.596 3.378 20 0 GGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000245863418 1433529553 /nfs/dbraw/zinc/52/95/53/1433529553.db2.gz DCCGONBAFWBEHS-FGTMMUONSA-N 1 3 376.570 3.153 20 0 GGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000245863418 1433529558 /nfs/dbraw/zinc/52/95/58/1433529558.db2.gz DCCGONBAFWBEHS-FGTMMUONSA-N 1 3 376.570 3.153 20 0 GGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245918082 1433542349 /nfs/dbraw/zinc/54/23/49/1433542349.db2.gz FZUDDQWBKFRRJG-WIYYLYMNSA-N 1 3 387.572 3.171 20 0 GGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245918082 1433542354 /nfs/dbraw/zinc/54/23/54/1433542354.db2.gz FZUDDQWBKFRRJG-WIYYLYMNSA-N 1 3 387.572 3.171 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000245945958 1433548999 /nfs/dbraw/zinc/54/89/99/1433548999.db2.gz NVEFXRXRTFUFDA-CEXWTWQISA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000245945958 1433549004 /nfs/dbraw/zinc/54/90/04/1433549004.db2.gz NVEFXRXRTFUFDA-CEXWTWQISA-N 1 3 387.572 3.027 20 0 GGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000245972612 1433552215 /nfs/dbraw/zinc/55/22/15/1433552215.db2.gz OGFJMDJXDLQUSU-RCCFBDPRSA-N 1 3 376.570 3.011 20 0 GGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000245972612 1433552223 /nfs/dbraw/zinc/55/22/23/1433552223.db2.gz OGFJMDJXDLQUSU-RCCFBDPRSA-N 1 3 376.570 3.011 20 0 GGADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000245972595 1433552379 /nfs/dbraw/zinc/55/23/79/1433552379.db2.gz OGFJMDJXDLQUSU-KSZLIROESA-N 1 3 376.570 3.011 20 0 GGADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000245972595 1433552380 /nfs/dbraw/zinc/55/23/80/1433552380.db2.gz OGFJMDJXDLQUSU-KSZLIROESA-N 1 3 376.570 3.011 20 0 GGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245981310 1433553060 /nfs/dbraw/zinc/55/30/60/1433553060.db2.gz YKKIXZIVCFCVGK-GUDVDZBRSA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000245981310 1433553066 /nfs/dbraw/zinc/55/30/66/1433553066.db2.gz YKKIXZIVCFCVGK-GUDVDZBRSA-N 1 3 387.572 3.027 20 0 GGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)N2CCOCC2)ccc1OC ZINC000246028032 1433559358 /nfs/dbraw/zinc/55/93/58/1433559358.db2.gz LKGDUAZHFBTCQC-FHWLQOOXSA-N 1 3 377.573 3.297 20 0 GGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000246042840 1433560788 /nfs/dbraw/zinc/56/07/88/1433560788.db2.gz NZUMESYTYITNCV-QMMLZNLJSA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000246042840 1433560793 /nfs/dbraw/zinc/56/07/93/1433560793.db2.gz NZUMESYTYITNCV-QMMLZNLJSA-N 1 3 378.582 3.364 20 0 GGADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N2CCOCC2)cc1CN1CCCCC1 ZINC000246107743 1433570032 /nfs/dbraw/zinc/57/00/32/1433570032.db2.gz ZHICILWTXKTICF-AABGKKOBSA-N 1 3 389.584 3.441 20 0 GGADHO C[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000246135218 1433572895 /nfs/dbraw/zinc/57/28/95/1433572895.db2.gz BHRYCJULUIGJSK-YSNWRPKNSA-N 1 3 384.568 3.306 20 0 GGADHO C[C@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000246135218 1433572898 /nfs/dbraw/zinc/57/28/98/1433572898.db2.gz BHRYCJULUIGJSK-YSNWRPKNSA-N 1 3 384.568 3.306 20 0 GGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246297355 1433591751 /nfs/dbraw/zinc/59/17/51/1433591751.db2.gz IXKRDIQKOGWCSO-MDNUFGMLSA-N 1 3 396.579 3.482 20 0 GGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246297355 1433591754 /nfs/dbraw/zinc/59/17/54/1433591754.db2.gz IXKRDIQKOGWCSO-MDNUFGMLSA-N 1 3 396.579 3.482 20 0 GGADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(C)Cc1ccccc1 ZINC000246313209 1433593529 /nfs/dbraw/zinc/59/35/29/1433593529.db2.gz JZILQKCZPBNQQW-KAGYGMCKSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(C)Cc1ccccc1 ZINC000246313209 1433593532 /nfs/dbraw/zinc/59/35/32/1433593532.db2.gz JZILQKCZPBNQQW-KAGYGMCKSA-N 1 3 384.568 3.165 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000246348031 1433598693 /nfs/dbraw/zinc/59/86/93/1433598693.db2.gz HKNCVUGNSMDVBV-MSOLQXFVSA-N 1 3 391.556 3.379 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000246348031 1433598697 /nfs/dbraw/zinc/59/86/97/1433598697.db2.gz HKNCVUGNSMDVBV-MSOLQXFVSA-N 1 3 391.556 3.379 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000246348045 1433598775 /nfs/dbraw/zinc/59/87/75/1433598775.db2.gz HKNCVUGNSMDVBV-QZTJIDSGSA-N 1 3 391.556 3.379 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000246348045 1433598778 /nfs/dbraw/zinc/59/87/78/1433598778.db2.gz HKNCVUGNSMDVBV-QZTJIDSGSA-N 1 3 391.556 3.379 20 0 GGADHO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000246466426 1433616986 /nfs/dbraw/zinc/61/69/86/1433616986.db2.gz QFQSKYLHVJGUDZ-BMGDILEWSA-N 1 3 381.586 3.059 20 0 GGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000246578454 1433634028 /nfs/dbraw/zinc/63/40/28/1433634028.db2.gz WPKOZZNRQADKBL-TYPHKJRUSA-N 1 3 384.568 3.165 20 0 GGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000246578454 1433634029 /nfs/dbraw/zinc/63/40/29/1433634029.db2.gz WPKOZZNRQADKBL-TYPHKJRUSA-N 1 3 384.568 3.165 20 0 GGADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC[C@H]21 ZINC000246710689 1433653657 /nfs/dbraw/zinc/65/36/57/1433653657.db2.gz FFDYWEHTGVGFNE-KZNAEPCWSA-N 1 3 376.570 3.011 20 0 GGADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC[C@H]21 ZINC000246710689 1433653659 /nfs/dbraw/zinc/65/36/59/1433653659.db2.gz FFDYWEHTGVGFNE-KZNAEPCWSA-N 1 3 376.570 3.011 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246760675 1433661829 /nfs/dbraw/zinc/66/18/29/1433661829.db2.gz YCPNHNYCVPBRML-GMAHTHKFSA-N 1 3 396.579 3.093 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246760675 1433661832 /nfs/dbraw/zinc/66/18/32/1433661832.db2.gz YCPNHNYCVPBRML-GMAHTHKFSA-N 1 3 396.579 3.093 20 0 GGADHO CC1CCN(CCNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000247415921 1433719559 /nfs/dbraw/zinc/71/95/59/1433719559.db2.gz UAKUWUTXKKRGJZ-RBBKRZOGSA-N 1 3 386.584 3.413 20 0 GGADHO CC1CCN(CCNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000247415921 1433719563 /nfs/dbraw/zinc/71/95/63/1433719563.db2.gz UAKUWUTXKKRGJZ-RBBKRZOGSA-N 1 3 386.584 3.413 20 0 GGADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247432184 1433721363 /nfs/dbraw/zinc/72/13/63/1433721363.db2.gz WOWMRZDZTQQHJO-FCHUYYIVSA-N 1 3 384.568 3.311 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CN1C1CC1 ZINC000248035652 1433765108 /nfs/dbraw/zinc/76/51/08/1433765108.db2.gz RLRFSHKJOPMZBW-GGPKGHCWSA-N 1 3 376.589 3.298 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CN1C1CC1 ZINC000248035652 1433765114 /nfs/dbraw/zinc/76/51/14/1433765114.db2.gz RLRFSHKJOPMZBW-GGPKGHCWSA-N 1 3 376.589 3.298 20 0 GGADHO NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000248388859 1433793201 /nfs/dbraw/zinc/79/32/01/1433793201.db2.gz AGICXKDLKSHTFQ-XPWALMASSA-N 1 3 377.532 3.218 20 0 GGADHO Cc1ccccc1CNC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248399664 1433797095 /nfs/dbraw/zinc/79/70/95/1433797095.db2.gz PCPBLRIXEDFCGW-GZOXUSKESA-N 1 3 379.548 3.357 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000248430238 1433802066 /nfs/dbraw/zinc/80/20/66/1433802066.db2.gz BNJZKCNXLAWCRQ-DYESRHJHSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000248430238 1433802068 /nfs/dbraw/zinc/80/20/68/1433802068.db2.gz BNJZKCNXLAWCRQ-DYESRHJHSA-N 1 3 382.504 3.265 20 0 GGADHO COc1cc(C)c([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000248457325 1433804267 /nfs/dbraw/zinc/80/42/67/1433804267.db2.gz SXIPFLQPDNZNDH-FXAWDEMLSA-N 1 3 384.520 3.430 20 0 GGADHO COc1cc(C)c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000248457325 1433804269 /nfs/dbraw/zinc/80/42/69/1433804269.db2.gz SXIPFLQPDNZNDH-FXAWDEMLSA-N 1 3 384.520 3.430 20 0 GGADHO C[C@H](NC[C@@H](O)COCc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248577646 1433809541 /nfs/dbraw/zinc/80/95/41/1433809541.db2.gz NUMPTASHWXBNDB-ABSDTBQOSA-N 1 3 380.960 3.460 20 0 GGADHO C[C@H](NC[C@@H](O)COCc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248577646 1433809544 /nfs/dbraw/zinc/80/95/44/1433809544.db2.gz NUMPTASHWXBNDB-ABSDTBQOSA-N 1 3 380.960 3.460 20 0 GGADHO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000248577646 1433809545 /nfs/dbraw/zinc/80/95/45/1433809545.db2.gz NUMPTASHWXBNDB-ABSDTBQOSA-N 1 3 380.960 3.460 20 0 GGADHO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248582396 1433809621 /nfs/dbraw/zinc/80/96/21/1433809621.db2.gz WHDGZAYVKWPSPA-NJDAHSKKSA-N 1 3 378.582 3.092 20 0 GGADHO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248582401 1433809737 /nfs/dbraw/zinc/80/97/37/1433809737.db2.gz WHDGZAYVKWPSPA-PWRODBHTSA-N 1 3 378.582 3.092 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248722597 1433817621 /nfs/dbraw/zinc/81/76/21/1433817621.db2.gz CMDCDSRXKPBIQC-FCEUIQTBSA-N 1 3 384.568 3.167 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000248722585 1433817746 /nfs/dbraw/zinc/81/77/46/1433817746.db2.gz CMDCDSRXKPBIQC-BAGYTPMASA-N 1 3 384.568 3.167 20 0 GGADHO O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248788251 1433822540 /nfs/dbraw/zinc/82/25/40/1433822540.db2.gz CYTLLUSBFLXWBC-YFNKSVMNSA-N 1 3 389.543 3.185 20 0 GGADHO O=C1c2ccccc2CCN1CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248788251 1433822542 /nfs/dbraw/zinc/82/25/42/1433822542.db2.gz CYTLLUSBFLXWBC-YFNKSVMNSA-N 1 3 389.543 3.185 20 0 GGADHO O=C1c2ccccc2CCN1CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248788251 1433822543 /nfs/dbraw/zinc/82/25/43/1433822543.db2.gz CYTLLUSBFLXWBC-YFNKSVMNSA-N 1 3 389.543 3.185 20 0 GGADHO C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248826559 1433824367 /nfs/dbraw/zinc/82/43/67/1433824367.db2.gz MAMXYBSDHDYKRR-SQVLJLFZSA-N 1 3 398.595 3.459 20 0 GGADHO C[C@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248826559 1433824368 /nfs/dbraw/zinc/82/43/68/1433824368.db2.gz MAMXYBSDHDYKRR-SQVLJLFZSA-N 1 3 398.595 3.459 20 0 GGADHO C[C@@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248826566 1433824384 /nfs/dbraw/zinc/82/43/84/1433824384.db2.gz MAMXYBSDHDYKRR-URLVKDPJSA-N 1 3 398.595 3.459 20 0 GGADHO C[C@@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248826566 1433824385 /nfs/dbraw/zinc/82/43/85/1433824385.db2.gz MAMXYBSDHDYKRR-URLVKDPJSA-N 1 3 398.595 3.459 20 0 GGADHO CCOC(=O)C1CCC(O)(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000248833032 1433824791 /nfs/dbraw/zinc/82/47/91/1433824791.db2.gz MJLODTVIBUGZMX-KQLGTBKOSA-N 1 3 380.573 3.057 20 0 GGADHO CCOC(=O)C1CCC(O)(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000248833032 1433824793 /nfs/dbraw/zinc/82/47/93/1433824793.db2.gz MJLODTVIBUGZMX-KQLGTBKOSA-N 1 3 380.573 3.057 20 0 GGADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCn1cnc2ccccc2c1=O ZINC000248940555 1433829956 /nfs/dbraw/zinc/82/99/56/1433829956.db2.gz COJAFZDZUPBNAQ-MOJGAOKDSA-N 1 3 390.531 3.143 20 0 GGADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCn1cnc2ccccc2c1=O ZINC000248940555 1433829957 /nfs/dbraw/zinc/82/99/57/1433829957.db2.gz COJAFZDZUPBNAQ-MOJGAOKDSA-N 1 3 390.531 3.143 20 0 GGADHO CCN(C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249373825 1433841835 /nfs/dbraw/zinc/84/18/35/1433841835.db2.gz XLPVVYYVVUICMS-FGZHOGPDSA-N 1 3 386.584 3.413 20 0 GGADHO CCN(C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249373825 1433841837 /nfs/dbraw/zinc/84/18/37/1433841837.db2.gz XLPVVYYVVUICMS-FGZHOGPDSA-N 1 3 386.584 3.413 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccccc2C)[C@@H](C)C1 ZINC000249493293 1433844996 /nfs/dbraw/zinc/84/49/96/1433844996.db2.gz VSBICHTVFQGCMJ-KEZQHZCBSA-N 1 3 389.584 3.287 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccccc2C)[C@H](C)C1 ZINC000249493288 1433845063 /nfs/dbraw/zinc/84/50/63/1433845063.db2.gz VSBICHTVFQGCMJ-DYQZNNLLSA-N 1 3 389.584 3.287 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2ccccc2C)[C@H](C)C1 ZINC000249493295 1433845078 /nfs/dbraw/zinc/84/50/78/1433845078.db2.gz VSBICHTVFQGCMJ-VMBXEPDQSA-N 1 3 389.584 3.287 20 0 GGADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000249755385 1433851131 /nfs/dbraw/zinc/85/11/31/1433851131.db2.gz CTBOBKKOLOMHEL-ROUUACIJSA-N 1 3 376.545 3.006 20 0 GGADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000249755385 1433851133 /nfs/dbraw/zinc/85/11/33/1433851133.db2.gz CTBOBKKOLOMHEL-ROUUACIJSA-N 1 3 376.545 3.006 20 0 GGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000250658157 1433857114 /nfs/dbraw/zinc/85/71/14/1433857114.db2.gz XJUXHTDWBKZYLH-GMAHTHKFSA-N 1 3 395.522 3.428 20 0 GGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000250658157 1433857115 /nfs/dbraw/zinc/85/71/15/1433857115.db2.gz XJUXHTDWBKZYLH-GMAHTHKFSA-N 1 3 395.522 3.428 20 0 GGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000251573966 1433859133 /nfs/dbraw/zinc/85/91/33/1433859133.db2.gz VDWVQZYKVMACDS-WTIAFYNJSA-N 1 3 392.547 3.396 20 0 GGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000251573966 1433859135 /nfs/dbraw/zinc/85/91/35/1433859135.db2.gz VDWVQZYKVMACDS-WTIAFYNJSA-N 1 3 392.547 3.396 20 0 GGADHO CN(C/C=C\C[N@H+](C)[C@@H]1CCCc2c1cnn2C)[C@@H]1CCCc2c1cnn2C ZINC000255207397 1433878451 /nfs/dbraw/zinc/87/84/51/1433878451.db2.gz WGQRGNZXPRNQHK-SBUVDCAVSA-N 1 3 382.556 3.028 20 0 GGADHO CN(C/C=C\C[N@@H+](C)[C@@H]1CCCc2c1cnn2C)[C@@H]1CCCc2c1cnn2C ZINC000255207397 1433878452 /nfs/dbraw/zinc/87/84/52/1433878452.db2.gz WGQRGNZXPRNQHK-SBUVDCAVSA-N 1 3 382.556 3.028 20 0 GGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000255504853 1433883813 /nfs/dbraw/zinc/88/38/13/1433883813.db2.gz AQZSZWMHTZMWCK-SJBKTWHCSA-N 1 3 388.600 3.217 20 0 GGADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCc2ccccc2C1 ZINC000261479708 1433896807 /nfs/dbraw/zinc/89/68/07/1433896807.db2.gz ZXVYQMWRAZYYNP-NHCUHLMSSA-N 1 3 384.568 3.139 20 0 GGADHO CC[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCc2ccccc2C1 ZINC000261479708 1433896809 /nfs/dbraw/zinc/89/68/09/1433896809.db2.gz ZXVYQMWRAZYYNP-NHCUHLMSSA-N 1 3 384.568 3.139 20 0 GGADHO Cc1cc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1Oc1cccnc1 ZINC000262043242 1433924217 /nfs/dbraw/zinc/92/42/17/1433924217.db2.gz PJPFURHKKWPUPP-IBGZPJMESA-N 1 3 382.508 3.002 20 0 GGADHO CCOc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OCc1ccccc1 ZINC000262117768 1433927595 /nfs/dbraw/zinc/92/75/95/1433927595.db2.gz LPALATUONXVYEV-JOCHJYFZSA-N 1 3 395.547 3.144 20 0 GGADHO CCOc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)ccc1OCc1ccccc1 ZINC000262117771 1433927601 /nfs/dbraw/zinc/92/76/01/1433927601.db2.gz LPALATUONXVYEV-QFIPXVFZSA-N 1 3 395.547 3.144 20 0 GGADHO O=C(Nc1cccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1)c1ccc(Cl)cc1 ZINC000262136792 1433928270 /nfs/dbraw/zinc/92/82/70/1433928270.db2.gz OTZLQYCYZAXSGH-OAQYLSRUSA-N 1 3 398.938 3.072 20 0 GGADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C[C@H]1c1ccccc1 ZINC000262212117 1433930844 /nfs/dbraw/zinc/93/08/44/1433930844.db2.gz LSBBPSXLWUSSHC-XPNTWCBSSA-N 1 3 395.522 3.239 20 0 GGADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C[C@H]1c1ccccc1 ZINC000262212116 1433930911 /nfs/dbraw/zinc/93/09/11/1433930911.db2.gz LSBBPSXLWUSSHC-XJUOHMSHSA-N 1 3 395.522 3.239 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1(C)C ZINC000262468739 1433940304 /nfs/dbraw/zinc/94/03/04/1433940304.db2.gz GQAAKZIHPXFRGZ-NFBKMPQASA-N 1 3 387.568 3.067 20 0 GGADHO [NH3+][C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000262585101 1433944783 /nfs/dbraw/zinc/94/47/83/1433944783.db2.gz OEKQPZIVZZAXLI-QUCCMNQESA-N 1 3 391.437 3.257 20 0 GGADHO C[C@@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000262631430 1433947131 /nfs/dbraw/zinc/94/71/31/1433947131.db2.gz FITHHDVPNUVRBU-VGSWGCGISA-N 1 3 381.520 3.166 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000262762679 1433954284 /nfs/dbraw/zinc/95/42/84/1433954284.db2.gz DSGHPKFOJDVBST-LLBVYWAGSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000262762679 1433954287 /nfs/dbraw/zinc/95/42/87/1433954287.db2.gz DSGHPKFOJDVBST-LLBVYWAGSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1(C)C ZINC000262762683 1433954355 /nfs/dbraw/zinc/95/43/55/1433954355.db2.gz DSGHPKFOJDVBST-XTQVGHSUSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1(C)C ZINC000262762683 1433954359 /nfs/dbraw/zinc/95/43/59/1433954359.db2.gz DSGHPKFOJDVBST-XTQVGHSUSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000262761805 1433954457 /nfs/dbraw/zinc/95/44/57/1433954457.db2.gz DNEIPCUEABEYTG-YPIYEQTHSA-N 1 3 387.568 3.030 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000262761805 1433954462 /nfs/dbraw/zinc/95/44/62/1433954462.db2.gz DNEIPCUEABEYTG-YPIYEQTHSA-N 1 3 387.568 3.030 20 0 GGADHO CCO[C@H]1C[C@](N)(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1(C)C ZINC000262777285 1433955472 /nfs/dbraw/zinc/95/54/72/1433955472.db2.gz JSKBMYRKXQOQBD-REWPJTCUSA-N 1 3 387.568 3.211 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1(C)C ZINC000262777284 1433955673 /nfs/dbraw/zinc/95/56/73/1433955673.db2.gz JSKBMYRKXQOQBD-OFNKIYASSA-N 1 3 387.568 3.211 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1(C)C ZINC000262796211 1433956911 /nfs/dbraw/zinc/95/69/11/1433956911.db2.gz PPBYINUJIRFNRG-NFBKMPQASA-N 1 3 387.568 3.211 20 0 GGADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1(C)C ZINC000262796222 1433957106 /nfs/dbraw/zinc/95/71/06/1433957106.db2.gz PPBYINUJIRFNRG-REWPJTCUSA-N 1 3 387.568 3.211 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1(C)C ZINC000262812394 1433957992 /nfs/dbraw/zinc/95/79/92/1433957992.db2.gz VMFWESLMBLARIF-GEQKSPFYSA-N 1 3 387.568 3.299 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1(C)C ZINC000262816465 1433958537 /nfs/dbraw/zinc/95/85/37/1433958537.db2.gz WWJKYRHKIMRFMD-WGGBDISSSA-N 1 3 387.568 3.210 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1(C)C ZINC000262816465 1433958541 /nfs/dbraw/zinc/95/85/41/1433958541.db2.gz WWJKYRHKIMRFMD-WGGBDISSSA-N 1 3 387.568 3.210 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1(C)C ZINC000262816458 1433958623 /nfs/dbraw/zinc/95/86/23/1433958623.db2.gz WWJKYRHKIMRFMD-HCLVMJGWSA-N 1 3 387.568 3.210 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1(C)C ZINC000262816458 1433958627 /nfs/dbraw/zinc/95/86/27/1433958627.db2.gz WWJKYRHKIMRFMD-HCLVMJGWSA-N 1 3 387.568 3.210 20 0 GGADHO [NH3+]Cc1cc(NC(=O)CC2(N3CCOCC3)CCCC2)cc(C(F)(F)F)c1 ZINC000263039978 1433979302 /nfs/dbraw/zinc/97/93/02/1433979302.db2.gz VOTFPPJKKJOKMQ-UHFFFAOYSA-N 1 3 385.430 3.138 20 0 GGADHO COc1ccc([C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])N2CCCC2)cc1 ZINC000263225826 1433996979 /nfs/dbraw/zinc/99/69/79/1433996979.db2.gz GMGSDZLJJLKROJ-JITLKJJUSA-N 1 3 385.552 3.102 20 0 GGADHO CCOc1c(OC)cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000263667985 1434018008 /nfs/dbraw/zinc/01/80/08/1434018008.db2.gz IZPZLMWDWNTLEY-IAGOWNOFSA-N 1 3 380.529 3.082 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2)CC1 ZINC000264883890 1434162035 /nfs/dbraw/zinc/16/20/35/1434162035.db2.gz IPPDHIZMCLOABU-UHFFFAOYSA-N 1 3 386.584 3.021 20 0 GGADHO COCCN1CC[C@H](NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000265428214 1434233360 /nfs/dbraw/zinc/23/33/60/1434233360.db2.gz UGWCCQLKMVNPRI-IBGZPJMESA-N 1 3 388.556 3.293 20 0 GGADHO COCCN1CC[C@H](NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000265428214 1434233364 /nfs/dbraw/zinc/23/33/64/1434233364.db2.gz UGWCCQLKMVNPRI-IBGZPJMESA-N 1 3 388.556 3.293 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCc4c3cccc4F)c2)C1 ZINC000267078593 1434406037 /nfs/dbraw/zinc/40/60/37/1434406037.db2.gz UNPPQRIRBSDWRF-PGRDOPGGSA-N 1 3 381.495 3.300 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCc4c3cccc4F)c2)C1 ZINC000267078593 1434406038 /nfs/dbraw/zinc/40/60/38/1434406038.db2.gz UNPPQRIRBSDWRF-PGRDOPGGSA-N 1 3 381.495 3.300 20 0 GGADHO COc1ccc([C@@H](CNC(=O)c2sccc2CN(C)C)[NH+]2CCCC2)cc1 ZINC000268103865 1434494896 /nfs/dbraw/zinc/49/48/96/1434494896.db2.gz LGUFVIVENQIDFQ-LJQANCHMSA-N 1 3 387.549 3.385 20 0 GGADHO CCCOc1c(Cl)cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC000268431344 1434522035 /nfs/dbraw/zinc/52/20/35/1434522035.db2.gz PDKXPSNHHKDVFX-UHFFFAOYSA-N 1 3 384.948 3.462 20 0 GGADHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268770896 1434555352 /nfs/dbraw/zinc/55/53/52/1434555352.db2.gz SLCGIONEMPONKH-ZPMCFJSWSA-N 1 3 384.520 3.237 20 0 GGADHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268770896 1434555357 /nfs/dbraw/zinc/55/53/57/1434555357.db2.gz SLCGIONEMPONKH-ZPMCFJSWSA-N 1 3 384.520 3.237 20 0 GGADHO C[C@H]1C[C@@H](NCc2ccc(Cn3cncn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268775916 1434555892 /nfs/dbraw/zinc/55/58/92/1434555892.db2.gz VVJFGFBGSGUKAL-CVDCTZTESA-N 1 3 375.520 3.469 20 0 GGADHO C[C@H]1C[C@@H](NCc2ccc(Cn3cncn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268775916 1434555896 /nfs/dbraw/zinc/55/58/96/1434555896.db2.gz VVJFGFBGSGUKAL-CVDCTZTESA-N 1 3 375.520 3.469 20 0 GGADHO C[C@@H]1C[C@H](NCc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268839550 1434563145 /nfs/dbraw/zinc/56/31/45/1434563145.db2.gz QMSRHMPWNJLMAT-DYESRHJHSA-N 1 3 387.549 3.201 20 0 GGADHO C[C@@H]1C[C@H](NCc2ccc(NS(C)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268839550 1434563148 /nfs/dbraw/zinc/56/31/48/1434563148.db2.gz QMSRHMPWNJLMAT-DYESRHJHSA-N 1 3 387.549 3.201 20 0 GGADHO COCCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000268877742 1434567224 /nfs/dbraw/zinc/56/72/24/1434567224.db2.gz ZELPYGYSMIVVBB-QRVBRYPASA-N 1 3 394.556 3.260 20 0 GGADHO C[C@H](C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000269260057 1434615037 /nfs/dbraw/zinc/61/50/37/1434615037.db2.gz MCYIMHDESVQZQF-JTSKRJEESA-N 1 3 399.510 3.121 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269264510 1434615195 /nfs/dbraw/zinc/61/51/95/1434615195.db2.gz OOHOPEYCOHXUBQ-GCJKJVERSA-N 1 3 380.536 3.412 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269264509 1434615220 /nfs/dbraw/zinc/61/52/20/1434615220.db2.gz OOHOPEYCOHXUBQ-AVRDEDQJSA-N 1 3 380.536 3.412 20 0 GGADHO CCSc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000269740690 1434673335 /nfs/dbraw/zinc/67/33/35/1434673335.db2.gz JWPULPMZIALQLI-UHFFFAOYSA-N 1 3 375.582 3.016 20 0 GGADHO CC[C@H](C)[C@H]1CN(CCCn2ccnc2C)CC[N@@H+]1CCCn1ccnc1C ZINC000270619175 1434751465 /nfs/dbraw/zinc/75/14/65/1434751465.db2.gz JRFQHUQXHFABHZ-SIKLNZKXSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@H](C)[C@H]1CN(CCCn2ccnc2C)CC[N@H+]1CCCn1ccnc1C ZINC000270619175 1434751469 /nfs/dbraw/zinc/75/14/69/1434751469.db2.gz JRFQHUQXHFABHZ-SIKLNZKXSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@H](C)[C@H]1C[N@H+](CCCn2ccnc2C)CCN1CCCn1ccnc1C ZINC000270619175 1434751473 /nfs/dbraw/zinc/75/14/73/1434751473.db2.gz JRFQHUQXHFABHZ-SIKLNZKXSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@H](C)[C@H]1C[N@@H+](CCCn2ccnc2C)CCN1CCCn1ccnc1C ZINC000270619175 1434751478 /nfs/dbraw/zinc/75/14/78/1434751478.db2.gz JRFQHUQXHFABHZ-SIKLNZKXSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@@H](C)[C@H]1CN(CCCn2ccnc2C)CC[N@@H+]1CCCn1ccnc1C ZINC000270619170 1434751698 /nfs/dbraw/zinc/75/16/98/1434751698.db2.gz JRFQHUQXHFABHZ-DENIHFKCSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@@H](C)[C@H]1CN(CCCn2ccnc2C)CC[N@H+]1CCCn1ccnc1C ZINC000270619170 1434751703 /nfs/dbraw/zinc/75/17/03/1434751703.db2.gz JRFQHUQXHFABHZ-DENIHFKCSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@@H](C)[C@H]1C[N@H+](CCCn2ccnc2C)CCN1CCCn1ccnc1C ZINC000270619170 1434751710 /nfs/dbraw/zinc/75/17/10/1434751710.db2.gz JRFQHUQXHFABHZ-DENIHFKCSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@@H](C)[C@H]1C[N@@H+](CCCn2ccnc2C)CCN1CCCn1ccnc1C ZINC000270619170 1434751714 /nfs/dbraw/zinc/75/17/14/1434751714.db2.gz JRFQHUQXHFABHZ-DENIHFKCSA-N 1 3 386.588 3.209 20 0 GGADHO COCCCOc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000271179114 1434806485 /nfs/dbraw/zinc/80/64/85/1434806485.db2.gz JFDMFOZFMPSDPP-UHFFFAOYSA-N 1 3 376.541 3.179 20 0 GGADHO CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H](N4CC=CC4)C3)c2)CC1 ZINC000271394181 1434821595 /nfs/dbraw/zinc/82/15/95/1434821595.db2.gz LTZNXWZTSWTPNR-QFIPXVFZSA-N 1 3 382.552 3.439 20 0 GGADHO CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H](N4CC=CC4)C3)c2)CC1 ZINC000271394178 1434821621 /nfs/dbraw/zinc/82/16/21/1434821621.db2.gz LTZNXWZTSWTPNR-JOCHJYFZSA-N 1 3 382.552 3.439 20 0 GGADHO COCCc1nc(C)c([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000271452996 1434826029 /nfs/dbraw/zinc/82/60/29/1434826029.db2.gz ZCOXAOYKSRMOMK-HNNXBMFYSA-N 1 3 377.554 3.432 20 0 GGADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1OC(F)F ZINC000271537333 1434833043 /nfs/dbraw/zinc/83/30/43/1434833043.db2.gz SCRCHKFLAIRGNH-XKQJLSEDSA-N 1 3 384.467 3.325 20 0 GGADHO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272160667 1434875514 /nfs/dbraw/zinc/87/55/14/1434875514.db2.gz DMBSQJVDVIMLFY-JQHSSLGASA-N 1 3 383.458 3.040 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272341706 1434888580 /nfs/dbraw/zinc/88/85/80/1434888580.db2.gz BWTFKUSJKVNJHX-CTNGQTDRSA-N 1 3 398.551 3.263 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272341706 1434888581 /nfs/dbraw/zinc/88/85/81/1434888581.db2.gz BWTFKUSJKVNJHX-CTNGQTDRSA-N 1 3 398.551 3.263 20 0 GGADHO COCC[NH+]1CCC(N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000272508462 1434901924 /nfs/dbraw/zinc/90/19/24/1434901924.db2.gz FWEYALOVFFIKFP-VQTJNVASSA-N 1 3 389.540 3.398 20 0 GGADHO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272553212 1434906977 /nfs/dbraw/zinc/90/69/77/1434906977.db2.gz SWTQIEULIJWCBK-LQBOVUBWSA-N 1 3 384.520 3.237 20 0 GGADHO C[C@@H](NCc1ccc(Cn2cncn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668507 1434921228 /nfs/dbraw/zinc/92/12/28/1434921228.db2.gz OSHQSZFYVHHGTR-AUSIDOKSSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@@H](NCc1ccc(Cn2cncn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668507 1434921230 /nfs/dbraw/zinc/92/12/30/1434921230.db2.gz OSHQSZFYVHHGTR-AUSIDOKSSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272668507 1434921233 /nfs/dbraw/zinc/92/12/33/1434921233.db2.gz OSHQSZFYVHHGTR-AUSIDOKSSA-N 1 3 375.520 3.327 20 0 GGADHO CC(C)[NH+]1CCN(C2CCN(Cc3cc(Cl)cc4c3OCC4)CC2)CC1 ZINC000272841849 1434935286 /nfs/dbraw/zinc/93/52/86/1434935286.db2.gz JPOHCJISCOQFGQ-UHFFFAOYSA-N 1 3 377.960 3.265 20 0 GGADHO C[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000273000283 1434948536 /nfs/dbraw/zinc/94/85/36/1434948536.db2.gz RDGMFJMIANUKDP-JXFKEZNVSA-N 1 3 395.469 3.208 20 0 GGADHO C[C@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000273000283 1434948538 /nfs/dbraw/zinc/94/85/38/1434948538.db2.gz RDGMFJMIANUKDP-JXFKEZNVSA-N 1 3 395.469 3.208 20 0 GGADHO Cc1cccc([C@@H]2CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)c1 ZINC000273218226 1434973137 /nfs/dbraw/zinc/97/31/37/1434973137.db2.gz UTJLJYKNPZATNE-HXUWFJFHSA-N 1 3 384.568 3.053 20 0 GGADHO CS[C@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000273532601 1434994990 /nfs/dbraw/zinc/99/49/90/1434994990.db2.gz RKVLNNOBRVNBFG-HKUYNNGSSA-N 1 3 387.549 3.146 20 0 GGADHO CS[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000273532604 1434995028 /nfs/dbraw/zinc/99/50/28/1434995028.db2.gz RKVLNNOBRVNBFG-PKOBYXMFSA-N 1 3 387.549 3.146 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3c3ccccc3)CC2)CC1 ZINC000273987652 1435034776 /nfs/dbraw/zinc/03/47/76/1435034776.db2.gz JIRJBMVXFXSHSV-QFIPXVFZSA-N 1 3 384.568 3.482 20 0 GGADHO Cc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1NC(=O)CC[NH+](C)C ZINC000274425733 1435070216 /nfs/dbraw/zinc/07/02/16/1435070216.db2.gz PHRPGJNXOIMZMO-HXUWFJFHSA-N 1 3 386.540 3.231 20 0 GGADHO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274741651 1435088880 /nfs/dbraw/zinc/08/88/80/1435088880.db2.gz FIXLQNALLOWVGG-RRPUWOKSSA-N 1 3 392.547 3.073 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000274821180 1435095523 /nfs/dbraw/zinc/09/55/23/1435095523.db2.gz GXTBTBKFUKNMCY-VMBXEPDQSA-N 1 3 389.584 3.021 20 0 GGADHO CC(C)[NH+]1CCN(C2CCN(C[C@H](O)c3ccc(F)cc3Cl)CC2)CC1 ZINC000274844521 1435097418 /nfs/dbraw/zinc/09/74/18/1435097418.db2.gz PHFIGSGNXHYCPV-FQEVSTJZSA-N 1 3 383.939 3.003 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274872577 1435100070 /nfs/dbraw/zinc/10/00/70/1435100070.db2.gz GAQFUJFSMGCHGW-GCJKJVERSA-N 1 3 386.561 3.231 20 0 GGADHO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000274927830 1435104108 /nfs/dbraw/zinc/10/41/08/1435104108.db2.gz QFMRSGQCVFQHMV-LYHRCORUSA-N 1 3 384.520 3.237 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000274927830 1435104110 /nfs/dbraw/zinc/10/41/10/1435104110.db2.gz QFMRSGQCVFQHMV-LYHRCORUSA-N 1 3 384.520 3.237 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000274927830 1435104113 /nfs/dbraw/zinc/10/41/13/1435104113.db2.gz QFMRSGQCVFQHMV-LYHRCORUSA-N 1 3 384.520 3.237 20 0 GGADHO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000274927827 1435104128 /nfs/dbraw/zinc/10/41/28/1435104128.db2.gz QFMRSGQCVFQHMV-HFJQGTKSSA-N 1 3 384.520 3.237 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000274927827 1435104131 /nfs/dbraw/zinc/10/41/31/1435104131.db2.gz QFMRSGQCVFQHMV-HFJQGTKSSA-N 1 3 384.520 3.237 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000274927827 1435104133 /nfs/dbraw/zinc/10/41/33/1435104133.db2.gz QFMRSGQCVFQHMV-HFJQGTKSSA-N 1 3 384.520 3.237 20 0 GGADHO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000275532393 1435146192 /nfs/dbraw/zinc/14/61/92/1435146192.db2.gz LYUIFJZCXPHMQF-YWCCWUOUSA-N 1 3 394.563 3.481 20 0 GGADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000276355953 1435206706 /nfs/dbraw/zinc/20/67/06/1435206706.db2.gz IAOYHASGZODKNU-NRFANRHFSA-N 1 3 389.588 3.057 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000276748705 1435229805 /nfs/dbraw/zinc/22/98/05/1435229805.db2.gz HIKGUZKWDLUXIL-INIZCTEOSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000276748705 1435229806 /nfs/dbraw/zinc/22/98/06/1435229806.db2.gz HIKGUZKWDLUXIL-INIZCTEOSA-N 1 3 377.529 3.133 20 0 GGADHO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000277145314 1435268333 /nfs/dbraw/zinc/26/83/33/1435268333.db2.gz PSBIKGHVWXOXFC-HXUWFJFHSA-N 1 3 390.597 3.226 20 0 GGADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000278363130 1435384007 /nfs/dbraw/zinc/38/40/07/1435384007.db2.gz BMDUAHMERJCHLX-OALUTQOASA-N 1 3 386.540 3.151 20 0 GGADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000278363130 1435384010 /nfs/dbraw/zinc/38/40/10/1435384010.db2.gz BMDUAHMERJCHLX-OALUTQOASA-N 1 3 386.540 3.151 20 0 GGADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1Cn1cccn1 ZINC000278371584 1435384832 /nfs/dbraw/zinc/38/48/32/1435384832.db2.gz BZGHCNPNMKHCLI-MOPGFXCFSA-N 1 3 386.540 3.092 20 0 GGADHO COc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1Cn1cccn1 ZINC000278371584 1435384835 /nfs/dbraw/zinc/38/48/35/1435384835.db2.gz BZGHCNPNMKHCLI-MOPGFXCFSA-N 1 3 386.540 3.092 20 0 GGADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1Cn1cccn1 ZINC000278373408 1435385129 /nfs/dbraw/zinc/38/51/29/1435385129.db2.gz BZGHCNPNMKHCLI-RTBURBONSA-N 1 3 386.540 3.092 20 0 GGADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1Cn1cccn1 ZINC000278373408 1435385131 /nfs/dbraw/zinc/38/51/31/1435385131.db2.gz BZGHCNPNMKHCLI-RTBURBONSA-N 1 3 386.540 3.092 20 0 GGADHO CCCN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000279104960 1435460853 /nfs/dbraw/zinc/46/08/53/1435460853.db2.gz XRIXHNPNOULYBH-VQTJNVASSA-N 1 3 395.551 3.003 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000279783866 1435542493 /nfs/dbraw/zinc/54/24/93/1435542493.db2.gz CFKNRURHRTXBHT-NRFANRHFSA-N 1 3 388.531 3.061 20 0 GGADHO COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccc(CN3CCN(C)CC3)cc1)CC2 ZINC000280218768 1435610953 /nfs/dbraw/zinc/61/09/53/1435610953.db2.gz UNVRVQBKIIPRLI-QFIPXVFZSA-N 1 3 395.547 3.228 20 0 GGADHO CN(c1ccccc1)c1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000280542976 1435676860 /nfs/dbraw/zinc/67/68/60/1435676860.db2.gz DBDHXBCVGCWWOV-VXKWHMMOSA-N 1 3 380.536 3.317 20 0 GGADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000281919050 1435826803 /nfs/dbraw/zinc/82/68/03/1435826803.db2.gz GZRBVBORRKJJKU-UHFFFAOYSA-N 1 3 394.563 3.439 20 0 GGADHO Cc1nc2ccccc2n1C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000282059773 1435832976 /nfs/dbraw/zinc/83/29/76/1435832976.db2.gz MOJJHURKEZWTCO-UHFFFAOYSA-N 1 3 383.584 3.398 20 0 GGADHO CC(C)[NH+]1CCN(CCCN2CCC(C(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000282662637 1435855617 /nfs/dbraw/zinc/85/56/17/1435855617.db2.gz MCKTZOIYCFRCKN-UHFFFAOYSA-N 1 3 393.522 3.276 20 0 GGADHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000282994079 1435869369 /nfs/dbraw/zinc/86/93/69/1435869369.db2.gz FSQVKOLDUVOGOX-CIAFKFPVSA-N 1 3 386.536 3.136 20 0 GGADHO CCOC(=O)[C@H]1CC[C@H](NCC2([NH+]3CCCC3)CCOCC2)c2ccccc21 ZINC000283189478 1435878541 /nfs/dbraw/zinc/87/85/41/1435878541.db2.gz KLKHDXBMGSRYEZ-SFTDATJTSA-N 1 3 386.536 3.403 20 0 GGADHO O[C@@H]1[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC12CCOCC2 ZINC000283468535 1435891201 /nfs/dbraw/zinc/89/12/01/1435891201.db2.gz WAVSNMQABCCXSI-IACLWVNRSA-N 1 3 384.564 3.054 20 0 GGADHO CCOC(=O)[C@@H]1CC[C@H](NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000283489291 1435892233 /nfs/dbraw/zinc/89/22/33/1435892233.db2.gz XVSKQIJQVXAFSK-RTWAWAEBSA-N 1 3 397.519 3.293 20 0 GGADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CCOCC2)CC1 ZINC000283969449 1435964406 /nfs/dbraw/zinc/96/44/06/1435964406.db2.gz CICKDCFTNDPCFA-HXUWFJFHSA-N 1 3 399.579 3.048 20 0 GGADHO c1ccc(CN2CCCO[C@H](C[N@@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)C2)cc1 ZINC000284104639 1435990475 /nfs/dbraw/zinc/99/04/75/1435990475.db2.gz MSIQCXNVTXSKLY-XWGVYQGASA-N 1 3 383.580 3.226 20 0 GGADHO c1ccc(CN2CCCO[C@H](C[N@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)C2)cc1 ZINC000284104639 1435990476 /nfs/dbraw/zinc/99/04/76/1435990476.db2.gz MSIQCXNVTXSKLY-XWGVYQGASA-N 1 3 383.580 3.226 20 0 GGADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284293450 1436010653 /nfs/dbraw/zinc/01/06/53/1436010653.db2.gz YDGVYGDMIBRDLZ-ICSRJNTNSA-N 1 3 387.568 3.396 20 0 GGADHO Clc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2c(n1)CNCC2 ZINC001164629897 719093880 /nfs/dbraw/zinc/09/38/80/719093880.db2.gz UCNHHZGWWCFZSM-UTKZUKDTSA-N 1 3 382.939 3.482 20 0 GGADHO Clc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2c(n1)CNCC2 ZINC001164629897 719093890 /nfs/dbraw/zinc/09/38/90/719093890.db2.gz UCNHHZGWWCFZSM-UTKZUKDTSA-N 1 3 382.939 3.482 20 0 GGADHO CN(C)c1cccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842764 720666497 /nfs/dbraw/zinc/66/64/97/720666497.db2.gz UBKWJGZKKPTAFG-HXUWFJFHSA-N 1 3 380.536 3.408 20 0 GGADHO CN(C)c1cccc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842764 720666509 /nfs/dbraw/zinc/66/65/09/720666509.db2.gz UBKWJGZKKPTAFG-HXUWFJFHSA-N 1 3 380.536 3.408 20 0 GGADHO CN(Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1)C1CC1 ZINC001164908716 721557796 /nfs/dbraw/zinc/55/77/96/721557796.db2.gz RTIWCLSPQQSVHJ-IRLDBZIGSA-N 1 3 396.510 3.157 20 0 GGADHO CN(Cc1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1)C1CC1 ZINC001164908716 721557800 /nfs/dbraw/zinc/55/78/00/721557800.db2.gz RTIWCLSPQQSVHJ-IRLDBZIGSA-N 1 3 396.510 3.157 20 0 GGADHO CN(C)Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027564 721827616 /nfs/dbraw/zinc/82/76/16/721827616.db2.gz SQTJEPJGKZLPJF-ILWGZMRPSA-N 1 3 379.552 3.275 20 0 GGADHO CN(C)Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027564 721827618 /nfs/dbraw/zinc/82/76/18/721827618.db2.gz SQTJEPJGKZLPJF-ILWGZMRPSA-N 1 3 379.552 3.275 20 0 GGADHO Cc1nc(N2CCCC2)cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955404 722013107 /nfs/dbraw/zinc/01/31/07/722013107.db2.gz VNEZLPZPHQUQMN-UHFFFAOYSA-N 1 3 392.551 3.273 20 0 GGADHO Cc1nc(N2CCCC2)cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955404 722013108 /nfs/dbraw/zinc/01/31/08/722013108.db2.gz VNEZLPZPHQUQMN-UHFFFAOYSA-N 1 3 392.551 3.273 20 0 GGADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc(-c3cccs3)s1)C2 ZINC001550421872 1126206244 /nfs/dbraw/zinc/20/62/44/1126206244.db2.gz HHTQXMAYAIPDQR-MRHSLFKSSA-N 1 3 377.579 3.441 20 0 GGADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc(-c3cccs3)s1)C2 ZINC001550421872 1126206245 /nfs/dbraw/zinc/20/62/45/1126206245.db2.gz HHTQXMAYAIPDQR-MRHSLFKSSA-N 1 3 377.579 3.441 20 0 GGADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(-c4ccco4)s3)C2)[C@H]1C(C)C ZINC001550423934 1126206626 /nfs/dbraw/zinc/20/66/26/1126206626.db2.gz URDQNMREEXZIEJ-YTXYEVPYSA-N 1 3 375.538 3.363 20 0 GGADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(-c4ccco4)s3)C2)[C@H]1C(C)C ZINC001550423934 1126206628 /nfs/dbraw/zinc/20/66/28/1126206628.db2.gz URDQNMREEXZIEJ-YTXYEVPYSA-N 1 3 375.538 3.363 20 0 GGADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(-c4ccco4)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423932 1126206773 /nfs/dbraw/zinc/20/67/73/1126206773.db2.gz URDQNMREEXZIEJ-HNAWSFBYSA-N 1 3 375.538 3.363 20 0 GGADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(-c4ccco4)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423932 1126206775 /nfs/dbraw/zinc/20/67/75/1126206775.db2.gz URDQNMREEXZIEJ-HNAWSFBYSA-N 1 3 375.538 3.363 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000119727550 564284927 /nfs/dbraw/zinc/28/49/27/564284927.db2.gz RALGTRAHBAECAA-UHFFFAOYSA-N 1 3 380.842 3.316 20 0 GGADHO C[C@H](Cn1cc(Br)cn1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123035927 564436830 /nfs/dbraw/zinc/43/68/30/564436830.db2.gz FVDGXQRIYPREDD-OAHLLOKOSA-N 1 3 377.330 3.420 20 0 GGADHO C[NH+](C)CCCC1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000123602485 564454795 /nfs/dbraw/zinc/45/47/95/564454795.db2.gz ZDSQRTMCGNLLOS-GOSISDBHSA-N 1 3 399.373 3.243 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000050801929 564560014 /nfs/dbraw/zinc/56/00/14/564560014.db2.gz SGBNVVZQSDPBNM-UHFFFAOYSA-N 1 3 384.351 3.211 20 0 GGADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000128122537 564607099 /nfs/dbraw/zinc/60/70/99/564607099.db2.gz KCTLDZCRPYJNPM-WMLDXEAASA-N 1 3 381.973 3.444 20 0 GGADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000056523123 564650105 /nfs/dbraw/zinc/65/01/05/564650105.db2.gz FHRXPIXVXSPIME-MRXNPFEDSA-N 1 3 375.340 3.397 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000104533903 564956576 /nfs/dbraw/zinc/95/65/76/564956576.db2.gz QSCPDENXVINLET-UHFFFAOYSA-N 1 3 380.945 3.029 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152372902 564957042 /nfs/dbraw/zinc/95/70/42/564957042.db2.gz XRCCCVLKYREBGJ-UONOGXRCSA-N 1 3 380.330 3.240 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152372902 564957045 /nfs/dbraw/zinc/95/70/45/564957045.db2.gz XRCCCVLKYREBGJ-UONOGXRCSA-N 1 3 380.330 3.240 20 0 GGADHO COc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1Br ZINC000154337331 565035367 /nfs/dbraw/zinc/03/53/67/565035367.db2.gz FNRFEGNAXHLMEA-HNNXBMFYSA-N 1 3 384.362 3.136 20 0 GGADHO CN1CCN(CCCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000154418659 565038385 /nfs/dbraw/zinc/03/83/85/565038385.db2.gz NRSKOOSXFWNGSW-GOSISDBHSA-N 1 3 396.373 3.280 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000155557111 565068910 /nfs/dbraw/zinc/06/89/10/565068910.db2.gz KTIUTJJCQBWVSM-LSDHHAIUSA-N 1 3 384.362 3.134 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000155557007 565069088 /nfs/dbraw/zinc/06/90/88/565069088.db2.gz KTIUTJJCQBWVSM-CABCVRRESA-N 1 3 384.362 3.134 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000155557237 565069098 /nfs/dbraw/zinc/06/90/98/565069098.db2.gz KTIUTJJCQBWVSM-HUUCEWRRSA-N 1 3 384.362 3.134 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000155591462 565069473 /nfs/dbraw/zinc/06/94/73/565069473.db2.gz MULYXGGIHPTOHC-FZKQIMNGSA-N 1 3 384.337 3.191 20 0 GGADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccccc3Br)C2)C1 ZINC000293133305 565152311 /nfs/dbraw/zinc/15/23/11/565152311.db2.gz ZXJSKOKRULEJOO-GOSISDBHSA-N 1 3 380.330 3.195 20 0 GGADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccccc3Br)C2)C1 ZINC000293133305 565152315 /nfs/dbraw/zinc/15/23/15/565152315.db2.gz ZXJSKOKRULEJOO-GOSISDBHSA-N 1 3 380.330 3.195 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295122603 565246766 /nfs/dbraw/zinc/24/67/66/565246766.db2.gz XLZVWLAQYIVVTG-FCLXEUQJSA-N 1 3 380.330 3.381 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295122603 565246769 /nfs/dbraw/zinc/24/67/69/565246769.db2.gz XLZVWLAQYIVVTG-FCLXEUQJSA-N 1 3 380.330 3.381 20 0 GGADHO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000165315627 565369079 /nfs/dbraw/zinc/36/90/79/565369079.db2.gz QKOAQPCUPAATDB-SJLPKXTDSA-N 1 3 391.357 3.188 20 0 GGADHO C[C@H](Cn1cc(Br)cn1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165315627 565369084 /nfs/dbraw/zinc/36/90/84/565369084.db2.gz QKOAQPCUPAATDB-SJLPKXTDSA-N 1 3 391.357 3.188 20 0 GGADHO C[C@H](Cn1cc(Br)cn1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165315627 565369091 /nfs/dbraw/zinc/36/90/91/565369091.db2.gz QKOAQPCUPAATDB-SJLPKXTDSA-N 1 3 391.357 3.188 20 0 GGADHO OC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(Br)cc1 ZINC000297639194 565380241 /nfs/dbraw/zinc/38/02/41/565380241.db2.gz MOIWAAFJEJRWLC-SFHVURJKSA-N 1 3 376.298 3.136 20 0 GGADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)cc1Cl ZINC000168942930 565381684 /nfs/dbraw/zinc/38/16/84/565381684.db2.gz RYRBUDSFDSHPIC-LJQANCHMSA-N 1 3 388.383 3.424 20 0 GGADHO Brc1cnn(CCCC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298068836 565398326 /nfs/dbraw/zinc/39/83/26/565398326.db2.gz KTVFRODFXATRIH-UHFFFAOYSA-N 1 3 378.318 3.079 20 0 GGADHO CC[NH+]1CCN([C@@H](C)CNc2ccnc3cc(Br)ccc32)CC1 ZINC000301534789 565493490 /nfs/dbraw/zinc/49/34/90/565493490.db2.gz QMNSFWZUDNPQMN-AWEZNQCLSA-N 1 3 377.330 3.435 20 0 GGADHO Cc1c(Br)cccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000172929585 565513779 /nfs/dbraw/zinc/51/37/79/565513779.db2.gz BZOIDGAIQQLAPL-UHFFFAOYSA-N 1 3 394.357 3.046 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)CC1 ZINC000278605549 565568783 /nfs/dbraw/zinc/56/87/83/565568783.db2.gz JBTKKUJBWGAPOA-HZPDHXFCSA-N 1 3 381.973 3.180 20 0 GGADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc3ccc(Br)cn23)C[C@H](C)O1 ZINC000174316469 565629166 /nfs/dbraw/zinc/62/91/66/565629166.db2.gz YTNCJIRCXLYLMV-GJZGRUSLSA-N 1 3 395.345 3.076 20 0 GGADHO CC(C)N1CCN(CCC[NH2+]C2(c3ccc(Br)cc3)CC2)CC1 ZINC000192787192 565709951 /nfs/dbraw/zinc/70/99/51/565709951.db2.gz CJEVEXMTPQTZOI-UHFFFAOYSA-N 1 3 380.374 3.444 20 0 GGADHO CN1CCN(CC[NH2+]Cc2ccc(Br)c3cccnc23)CC1(C)C ZINC000282493883 565783187 /nfs/dbraw/zinc/78/31/87/565783187.db2.gz WEUUQKBVJCRGMZ-UHFFFAOYSA-N 1 3 391.357 3.113 20 0 GGADHO CC[C@@H](C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)N(C)C ZINC000413826416 565876555 /nfs/dbraw/zinc/87/65/55/565876555.db2.gz QLBPHCMJQSNHHU-SFHVURJKSA-N 1 3 396.373 3.212 20 0 GGADHO O=C1CC[C@@H](N[C@H]2CCSc3ccc(Cl)cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333348168 565878584 /nfs/dbraw/zinc/87/85/84/565878584.db2.gz ZSSMHEMKZKGMBE-FCEWJHQRSA-N 1 3 379.957 3.113 20 0 GGADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000414188747 565901502 /nfs/dbraw/zinc/90/15/02/565901502.db2.gz JFWCJADIGUKJAW-HNNXBMFYSA-N 1 3 386.367 3.441 20 0 GGADHO CC[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414192572 565902981 /nfs/dbraw/zinc/90/29/81/565902981.db2.gz SLGRMIQANZERQR-YOEHRIQHSA-N 1 3 387.977 3.021 20 0 GGADHO CC[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414192572 565902984 /nfs/dbraw/zinc/90/29/84/565902984.db2.gz SLGRMIQANZERQR-YOEHRIQHSA-N 1 3 387.977 3.021 20 0 GGADHO CC(C)N1CCN(CCC[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000285560802 565914365 /nfs/dbraw/zinc/91/43/65/565914365.db2.gz NATYPDWXMXLQDX-IBGZPJMESA-N 1 3 388.383 3.423 20 0 GGADHO CC(C)(C)N1CCC([NH2+]CCNC(=O)c2ccc(Br)cc2)CC1 ZINC000178440954 565918805 /nfs/dbraw/zinc/91/88/05/565918805.db2.gz VTMBAAYYGCLABU-UHFFFAOYSA-N 1 3 382.346 3.031 20 0 GGADHO C[NH+]1CCC(CNCc2ccc(F)c(Cl)c2Cl)(N2CCOCC2)CC1 ZINC000414485922 565941369 /nfs/dbraw/zinc/94/13/69/565941369.db2.gz QAAHMAAKKJPTRM-UHFFFAOYSA-N 1 3 390.330 3.019 20 0 GGADHO COc1ccc(Br)cc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000237130290 565952716 /nfs/dbraw/zinc/95/27/16/565952716.db2.gz AFBLLVRUAAQYEN-GASCZTMLSA-N 1 3 385.346 3.437 20 0 GGADHO Cc1cc([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)ccc1Br ZINC000414755708 565959034 /nfs/dbraw/zinc/95/90/34/565959034.db2.gz PLAVOQKAVGSLDK-CRAIPNDOSA-N 1 3 394.357 3.092 20 0 GGADHO Cc1cc([C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)ccc1Br ZINC000414755708 565959039 /nfs/dbraw/zinc/95/90/39/565959039.db2.gz PLAVOQKAVGSLDK-CRAIPNDOSA-N 1 3 394.357 3.092 20 0 GGADHO CCCOc1ccc(Br)cc1CNCC1(COC)CC[NH2+]CC1 ZINC000414955763 565967147 /nfs/dbraw/zinc/96/71/47/565967147.db2.gz NJYLDAXNJYOTTE-UHFFFAOYSA-N 1 3 385.346 3.344 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC000414948817 565967418 /nfs/dbraw/zinc/96/74/18/565967418.db2.gz MOFIUWGDQIVYJU-PBHICJAKSA-N 1 3 394.357 3.092 20 0 GGADHO [NH3+][C@H]1CCC[C@@H](CNCc2c(F)ccc(I)c2F)C1 ZINC000414990670 565968141 /nfs/dbraw/zinc/96/81/41/565968141.db2.gz AJVBLNFCFXEKRK-ZJUUUORDSA-N 1 3 380.220 3.177 20 0 GGADHO [NH3+][C@H]1CCC[C@H](CNCc2c(F)ccc(I)c2F)C1 ZINC000414990665 565968585 /nfs/dbraw/zinc/96/85/85/565968585.db2.gz AJVBLNFCFXEKRK-UWVGGRQHSA-N 1 3 380.220 3.177 20 0 GGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2ncc(Br)cc2Br)C1 ZINC000415008856 565969441 /nfs/dbraw/zinc/96/94/41/565969441.db2.gz SSJCHHLKJNHLMY-MWLCHTKSSA-N 1 3 377.124 3.214 20 0 GGADHO CCOc1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(Br)c1OC ZINC000415004837 565969746 /nfs/dbraw/zinc/96/97/46/565969746.db2.gz INHBSJOLJKCYNL-GOEBONIOSA-N 1 3 383.330 3.334 20 0 GGADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000415086684 565973251 /nfs/dbraw/zinc/97/32/51/565973251.db2.gz SLUGWYBGACTMAT-LIRRHRJNSA-N 1 3 394.357 3.077 20 0 GGADHO Brc1cccc(N2CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000246408319 566028698 /nfs/dbraw/zinc/02/86/98/566028698.db2.gz HZMMWLWQRMXBMY-SUMDDJOVSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1cccc(N2CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000246408319 566028701 /nfs/dbraw/zinc/02/87/01/566028701.db2.gz HZMMWLWQRMXBMY-SUMDDJOVSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCN4CCC[C@H]4C3)C2)c1 ZINC000246408319 566028703 /nfs/dbraw/zinc/02/87/03/566028703.db2.gz HZMMWLWQRMXBMY-SUMDDJOVSA-N 1 3 378.358 3.492 20 0 GGADHO CC[N@@H+]1CC[C@H](NCCC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000248217485 566074879 /nfs/dbraw/zinc/07/48/79/566074879.db2.gz ZWVMJQAVYRKUTI-YJBOKZPZSA-N 1 3 396.373 3.118 20 0 GGADHO CC[N@H+]1CC[C@H](NCCC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000248217485 566074880 /nfs/dbraw/zinc/07/48/80/566074880.db2.gz ZWVMJQAVYRKUTI-YJBOKZPZSA-N 1 3 396.373 3.118 20 0 GGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000180829939 566093413 /nfs/dbraw/zinc/09/34/13/566093413.db2.gz QRMGUPHIGVOTFX-LZWOXQAQSA-N 1 3 382.346 3.404 20 0 GGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000180829939 566093414 /nfs/dbraw/zinc/09/34/14/566093414.db2.gz QRMGUPHIGVOTFX-LZWOXQAQSA-N 1 3 382.346 3.404 20 0 GGADHO O=C(NC[C@@H]1CCCN(CCSc2ccc(Cl)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261845759 566138071 /nfs/dbraw/zinc/13/80/71/566138071.db2.gz LYGFQDRQVTXANR-YJBOKZPZSA-N 1 3 381.973 3.012 20 0 GGADHO O=C(Nc1ccc(Br)cc1)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261961155 566141227 /nfs/dbraw/zinc/14/12/27/566141227.db2.gz PHYKBHQVSWPVGU-CQSZACIVSA-N 1 3 380.330 3.099 20 0 GGADHO O=C(Nc1ccccc1Br)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261935902 566141636 /nfs/dbraw/zinc/14/16/36/566141636.db2.gz MBGHTTQGUGRSEG-CQSZACIVSA-N 1 3 380.330 3.099 20 0 GGADHO O=C(Nc1cccc(Br)c1)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262045374 566145689 /nfs/dbraw/zinc/14/56/89/566145689.db2.gz YWZHVXOGWJSJCD-CQSZACIVSA-N 1 3 380.330 3.099 20 0 GGADHO COc1ccc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000181856594 566169899 /nfs/dbraw/zinc/16/98/99/566169899.db2.gz XBWICVNLPYCQDV-CQSZACIVSA-N 1 3 384.362 3.134 20 0 GGADHO C[N@H+](CCCCNCc1ccc(F)cc1I)C1CC1 ZINC000418084909 566196411 /nfs/dbraw/zinc/19/64/11/566196411.db2.gz SISLPMWUXFHVIN-UHFFFAOYSA-N 1 3 376.257 3.394 20 0 GGADHO C[N@@H+](CCCCNCc1ccc(F)cc1I)C1CC1 ZINC000418084909 566196415 /nfs/dbraw/zinc/19/64/15/566196415.db2.gz SISLPMWUXFHVIN-UHFFFAOYSA-N 1 3 376.257 3.394 20 0 GGADHO C[C@H](CC[NH3+])NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418524456 566215310 /nfs/dbraw/zinc/21/53/10/566215310.db2.gz LISCFXUHXAEFMQ-CQSZACIVSA-N 1 3 387.355 3.338 20 0 GGADHO [NH3+]CCCCNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418510681 566215461 /nfs/dbraw/zinc/21/54/61/566215461.db2.gz OIOHLPTUYVDJJV-UHFFFAOYSA-N 1 3 387.355 3.340 20 0 GGADHO CC[NH+](CC)CCSCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000266146118 566246505 /nfs/dbraw/zinc/24/65/05/566246505.db2.gz MTVYKNDBJMDCQY-QGZVFWFLSA-N 1 3 383.627 3.151 20 0 GGADHO [NH3+]C[C@H](NCCC(=O)Nc1ccc(Br)cc1F)C1CCCCC1 ZINC000420377653 566273292 /nfs/dbraw/zinc/27/32/92/566273292.db2.gz WILXQSSNBFXZLZ-INIZCTEOSA-N 1 3 386.309 3.414 20 0 GGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000420372307 566274620 /nfs/dbraw/zinc/27/46/20/566274620.db2.gz FARLKMSOXKSOIN-QZTJIDSGSA-N 1 3 383.330 3.046 20 0 GGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccc(Br)cc3)CC2)C1 ZINC000420389545 566276103 /nfs/dbraw/zinc/27/61/03/566276103.db2.gz MESFWYKECGQMIH-FUHWJXTLSA-N 1 3 383.330 3.046 20 0 GGADHO CC[C@H](CSc1ccc(Cl)cc1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000482539749 566316600 /nfs/dbraw/zinc/31/66/00/566316600.db2.gz SLBSYBXPBFOSSE-DOTOQJQBSA-N 1 3 383.989 3.388 20 0 GGADHO CC[C@H](CSc1ccc(Cl)cc1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000482539749 566316608 /nfs/dbraw/zinc/31/66/08/566316608.db2.gz SLBSYBXPBFOSSE-DOTOQJQBSA-N 1 3 383.989 3.388 20 0 GGADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2)CC1 ZINC000669847281 566332535 /nfs/dbraw/zinc/33/25/35/566332535.db2.gz XQNNDWZHTKGICT-LPHOPBHVSA-N 1 3 378.358 3.195 20 0 GGADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4ccc(Br)cc43)C2)CC1 ZINC000669847280 566332755 /nfs/dbraw/zinc/33/27/55/566332755.db2.gz XQNNDWZHTKGICT-APWZRJJASA-N 1 3 378.358 3.195 20 0 GGADHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000482874691 566339251 /nfs/dbraw/zinc/33/92/51/566339251.db2.gz JKJDYVBZWNFVPQ-GOSISDBHSA-N 1 3 396.373 3.433 20 0 GGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000483862395 566405257 /nfs/dbraw/zinc/40/52/57/566405257.db2.gz LOQBXOBMEMJLMA-UONOGXRCSA-N 1 3 379.492 3.431 20 0 GGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc(C(F)(F)F)cs2)[C@@H](C)C1 ZINC000483862395 566405266 /nfs/dbraw/zinc/40/52/66/566405266.db2.gz LOQBXOBMEMJLMA-UONOGXRCSA-N 1 3 379.492 3.431 20 0 GGADHO CN(C)CCOCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000447600816 566418092 /nfs/dbraw/zinc/41/80/92/566418092.db2.gz NTSGFPKNPGKVTA-GOSISDBHSA-N 1 3 385.346 3.085 20 0 GGADHO Fc1cc(Br)ccc1CCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422751610 566462640 /nfs/dbraw/zinc/46/26/40/566462640.db2.gz BSUAEFOEEUKGAS-BPQIPLTHSA-N 1 3 385.321 3.268 20 0 GGADHO Fc1cc(Br)ccc1CCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422751613 566462775 /nfs/dbraw/zinc/46/27/75/566462775.db2.gz BSUAEFOEEUKGAS-RYQLBKOJSA-N 1 3 385.321 3.268 20 0 GGADHO Brc1cccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422748359 566463024 /nfs/dbraw/zinc/46/30/24/566463024.db2.gz UFBDNXMTGXUKOU-KZNAEPCWSA-N 1 3 379.342 3.227 20 0 GGADHO O=C(NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422859598 566463171 /nfs/dbraw/zinc/46/31/71/566463171.db2.gz KMUJAUXHHBOEOU-KSZLIROESA-N 1 3 394.357 3.079 20 0 GGADHO Brc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422785994 566463520 /nfs/dbraw/zinc/46/35/20/566463520.db2.gz QAMJTNDZYRSOIG-BMGDILEWSA-N 1 3 379.342 3.227 20 0 GGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422736283 566463575 /nfs/dbraw/zinc/46/35/75/566463575.db2.gz VUENEEZIZOESBS-URKNILKWSA-N 1 3 386.367 3.300 20 0 GGADHO O=C(NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422876895 566464622 /nfs/dbraw/zinc/46/46/22/566464622.db2.gz GQCXBGUIADJUOA-KSZLIROESA-N 1 3 394.357 3.079 20 0 GGADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422883864 566464924 /nfs/dbraw/zinc/46/49/24/566464924.db2.gz VTGHYAJZOREPGA-YJBOKZPZSA-N 1 3 381.358 3.475 20 0 GGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880871 566465019 /nfs/dbraw/zinc/46/50/19/566465019.db2.gz PDMITSYPORHSNZ-YEWWUXTCSA-N 1 3 387.351 3.384 20 0 GGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880871 566465025 /nfs/dbraw/zinc/46/50/25/566465025.db2.gz PDMITSYPORHSNZ-YEWWUXTCSA-N 1 3 387.351 3.384 20 0 GGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880868 566465072 /nfs/dbraw/zinc/46/50/72/566465072.db2.gz PDMITSYPORHSNZ-DHSIGJKJSA-N 1 3 387.351 3.384 20 0 GGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880868 566465075 /nfs/dbraw/zinc/46/50/75/566465075.db2.gz PDMITSYPORHSNZ-DHSIGJKJSA-N 1 3 387.351 3.384 20 0 GGADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422875930 566465257 /nfs/dbraw/zinc/46/52/57/566465257.db2.gz DNVVUSDHQSJFCH-RCCFBDPRSA-N 1 3 381.358 3.473 20 0 GGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422883863 566465816 /nfs/dbraw/zinc/46/58/16/566465816.db2.gz VTGHYAJZOREPGA-QAPCUYQASA-N 1 3 381.358 3.475 20 0 GGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423033920 566469192 /nfs/dbraw/zinc/46/91/92/566469192.db2.gz PDKWZFYRLXUHCA-FASAQXTFSA-N 1 3 386.367 3.300 20 0 GGADHO Clc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423043307 566471669 /nfs/dbraw/zinc/47/16/69/566471669.db2.gz OHBSZIHGIDOXTE-ARKSPBFVSA-N 1 3 384.351 3.319 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000423073504 566472897 /nfs/dbraw/zinc/47/28/97/566472897.db2.gz IUJAJMQOEXOKEJ-WZGPROSRSA-N 1 3 381.358 3.110 20 0 GGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000423075369 566473155 /nfs/dbraw/zinc/47/31/55/566473155.db2.gz OKDCYULGRVOGBO-CVAIRZPRSA-N 1 3 391.353 3.148 20 0 GGADHO Clc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000423074139 566473899 /nfs/dbraw/zinc/47/38/99/566473899.db2.gz UBWYXTREKLSCAS-CIRFHOKZSA-N 1 3 384.351 3.319 20 0 GGADHO CN(C)CCOCC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000577895556 566474931 /nfs/dbraw/zinc/47/49/31/566474931.db2.gz NPIIUXOGGWNFED-KRWDZBQOSA-N 1 3 380.330 3.476 20 0 GGADHO COc1cc(I)c(Cl)cc1CN[C@H](C)CCC[NH3+] ZINC000423102610 566475039 /nfs/dbraw/zinc/47/50/39/566475039.db2.gz XGGHFYURGIECGD-SECBINFHSA-N 1 3 382.673 3.170 20 0 GGADHO COc1cc(I)c(Cl)cc1CN[C@@H](C)CCC[NH3+] ZINC000423102611 566475624 /nfs/dbraw/zinc/47/56/24/566475624.db2.gz XGGHFYURGIECGD-VIFPVBQESA-N 1 3 382.673 3.170 20 0 GGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000423127327 566477418 /nfs/dbraw/zinc/47/74/18/566477418.db2.gz BVSFCQYXEILXCT-NORZTCDRSA-N 1 3 387.749 3.476 20 0 GGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000423127327 566477423 /nfs/dbraw/zinc/47/74/23/566477423.db2.gz BVSFCQYXEILXCT-NORZTCDRSA-N 1 3 387.749 3.476 20 0 GGADHO Brc1ccc([C@@H](NCCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423181969 566480812 /nfs/dbraw/zinc/48/08/12/566480812.db2.gz KBHDOSLQJCLJMQ-FQEVSTJZSA-N 1 3 388.353 3.423 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1cc(F)cc(Br)c1 ZINC000423169977 566480870 /nfs/dbraw/zinc/48/08/70/566480870.db2.gz KTOSFFHEKXXBPI-KLIQENQMSA-N 1 3 399.348 3.250 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cc(F)cc(Br)c1 ZINC000423169978 566480879 /nfs/dbraw/zinc/48/08/79/566480879.db2.gz KTOSFFHEKXXBPI-UDTPNQRGSA-N 1 3 399.348 3.250 20 0 GGADHO Brc1ccc([C@@H](NCC[C@H]2CCC[NH2+]C2)c2cncnc2)cc1 ZINC000423259329 566484598 /nfs/dbraw/zinc/48/45/98/566484598.db2.gz NXFMCOQDPNAMCP-RDTXWAMCSA-N 1 3 375.314 3.308 20 0 GGADHO CSC1(C[NH2+]Cc2ccc(I)s2)CCN(C)CC1 ZINC000602665474 566485326 /nfs/dbraw/zinc/48/53/26/566485326.db2.gz CCHUZWXSPGCEEK-UHFFFAOYSA-N 1 3 396.363 3.270 20 0 GGADHO FC(F)(F)[C@H](CN[C@@H]1CCSc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423382428 566486891 /nfs/dbraw/zinc/48/68/91/566486891.db2.gz INFYEXIXUGYNKB-HIFRSBDPSA-N 1 3 379.879 3.303 20 0 GGADHO CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000423417411 566488735 /nfs/dbraw/zinc/48/87/35/566488735.db2.gz FHJBLDLDNZXHLB-ZQIUZPCESA-N 1 3 387.977 3.054 20 0 GGADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404213 566489057 /nfs/dbraw/zinc/48/90/57/566489057.db2.gz ZMNZRTJWRHMCLN-YPMHNXCESA-N 1 3 378.508 3.236 20 0 GGADHO FC(F)(F)[C@H](CN[C@H]1CCSc2c(Cl)cccc21)N1CC[NH2+]CC1 ZINC000423403666 566489143 /nfs/dbraw/zinc/48/91/43/566489143.db2.gz ZHHVEXFYCNTUMB-KBPBESRZSA-N 1 3 379.879 3.303 20 0 GGADHO Cc1cc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)sc1Br ZINC000512050878 566508270 /nfs/dbraw/zinc/50/82/70/566508270.db2.gz FGTAELLBTWPOTD-QWHCGFSZSA-N 1 3 388.375 3.057 20 0 GGADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000578303950 566509302 /nfs/dbraw/zinc/50/93/02/566509302.db2.gz DMEPPAFCLLZVPS-GYABFAJESA-N 1 3 375.314 3.445 20 0 GGADHO C[C@H]1CC2(CN1Cc1cc3c(cc1Br)OCCO3)CC[NH2+]CC2 ZINC000424283214 566525204 /nfs/dbraw/zinc/52/52/04/566525204.db2.gz BBJRXKBPBBFPTC-ZDUSSCGKSA-N 1 3 381.314 3.184 20 0 GGADHO C[C@H]1CC2(CN1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC000424286054 566525402 /nfs/dbraw/zinc/52/54/02/566525402.db2.gz GVWREHYVYLXYCH-AWEZNQCLSA-N 1 3 384.351 3.416 20 0 GGADHO C[C@H]1CC2(CN1CC(=O)NCCc1cccc(Cl)c1Cl)CC[NH2+]CC2 ZINC000424294430 566527108 /nfs/dbraw/zinc/52/71/08/566527108.db2.gz QIOFJMMLHFUWFH-AWEZNQCLSA-N 1 3 384.351 3.116 20 0 GGADHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000424301177 566527272 /nfs/dbraw/zinc/52/72/72/566527272.db2.gz XJKIJVBDXNFNSP-LSDHHAIUSA-N 1 3 394.357 3.090 20 0 GGADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000673601879 566546682 /nfs/dbraw/zinc/54/66/82/566546682.db2.gz BKFLLZPUUMBCTO-PBHICJAKSA-N 1 3 398.364 3.277 20 0 GGADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000539308160 566572433 /nfs/dbraw/zinc/57/24/33/566572433.db2.gz HVCFSAOIXILTKM-HACGYAERSA-N 1 3 385.371 3.278 20 0 GGADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000539308163 566572617 /nfs/dbraw/zinc/57/26/17/566572617.db2.gz HVCFSAOIXILTKM-MRRJBJDNSA-N 1 3 385.371 3.278 20 0 GGADHO C[NH+](C)CCCC(C)(C)NCc1cn(-c2ccccc2Br)nn1 ZINC000449529493 566573390 /nfs/dbraw/zinc/57/33/90/566573390.db2.gz XPBBGFPPKGDGLK-UHFFFAOYSA-N 1 3 380.334 3.240 20 0 GGADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000449601401 566582470 /nfs/dbraw/zinc/58/24/70/566582470.db2.gz RLRVQKBNGARNGR-CQSZACIVSA-N 1 3 387.337 3.202 20 0 GGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2cc(Br)ccc2OC)CC1 ZINC000449683634 566590924 /nfs/dbraw/zinc/59/09/24/566590924.db2.gz PYAHFTCSBLDJLQ-OAHLLOKOSA-N 1 3 399.373 3.073 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CNC1CC[NH+](C(C)C)CC1 ZINC000449682513 566591552 /nfs/dbraw/zinc/59/15/52/566591552.db2.gz LSBLODFZJCZOHU-INIZCTEOSA-N 1 3 383.374 3.371 20 0 GGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000449686226 566593110 /nfs/dbraw/zinc/59/31/10/566593110.db2.gz VUWNCXCQBGQBEH-INIZCTEOSA-N 1 3 383.374 3.373 20 0 GGADHO Cc1cc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)sc1Br ZINC000513572548 566609545 /nfs/dbraw/zinc/60/95/45/566609545.db2.gz NHFOYCCIHIHCLG-ZDUSSCGKSA-N 1 3 375.376 3.344 20 0 GGADHO CSc1cc(Br)ccc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000674878696 566615138 /nfs/dbraw/zinc/61/51/38/566615138.db2.gz OJXCPJIKVDSMNZ-UHFFFAOYSA-N 1 3 386.403 3.288 20 0 GGADHO CSc1cc(Br)ccc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000674878696 566615141 /nfs/dbraw/zinc/61/51/41/566615141.db2.gz OJXCPJIKVDSMNZ-UHFFFAOYSA-N 1 3 386.403 3.288 20 0 GGADHO Brc1cnn(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000560580592 566640773 /nfs/dbraw/zinc/64/07/73/566640773.db2.gz KVUIMZZSTNZZAT-QXAKKESOSA-N 1 3 389.341 3.146 20 0 GGADHO Brc1cnn(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000560580592 566640779 /nfs/dbraw/zinc/64/07/79/566640779.db2.gz KVUIMZZSTNZZAT-QXAKKESOSA-N 1 3 389.341 3.146 20 0 GGADHO Brc1cnn(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000560580592 566640784 /nfs/dbraw/zinc/64/07/84/566640784.db2.gz KVUIMZZSTNZZAT-QXAKKESOSA-N 1 3 389.341 3.146 20 0 GGADHO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000540416456 566650908 /nfs/dbraw/zinc/65/09/08/566650908.db2.gz NLZOOPRKHBPEGK-MLGOLLRUSA-N 1 3 385.371 3.278 20 0 GGADHO C[NH+](C)CCOc1ccc(CNCCOc2ncc(Cl)cc2Cl)cc1 ZINC000675552927 566653812 /nfs/dbraw/zinc/65/38/12/566653812.db2.gz VVUGIKDJLLAUMF-UHFFFAOYSA-N 1 3 384.307 3.497 20 0 GGADHO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533130 566664388 /nfs/dbraw/zinc/66/43/88/566664388.db2.gz ITYGZQYMNVTZNB-DAYGRLMNSA-N 1 3 392.341 3.024 20 0 GGADHO O[C@H](CNC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)C[NH+]1CCCC1 ZINC000629574374 566668133 /nfs/dbraw/zinc/66/81/33/566668133.db2.gz NHIXZHHGCWUTNA-LJQANCHMSA-N 1 3 386.367 3.004 20 0 GGADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4cc(Br)ccc43)C2)CC1 ZINC000675872757 566668910 /nfs/dbraw/zinc/66/89/10/566668910.db2.gz NYJLWPKWQZXJHO-APWZRJJASA-N 1 3 378.358 3.195 20 0 GGADHO Brc1cc2c(cc1CN1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)OCCO2 ZINC000580312397 566682853 /nfs/dbraw/zinc/68/28/53/566682853.db2.gz MQBRBVCHPRUNOL-KGLIPLIRSA-N 1 3 381.314 3.042 20 0 GGADHO Brc1cc2c(cc1CN1CCC[C@H]([C@H]3CC[NH2+]C3)C1)OCCO2 ZINC000580312396 566683227 /nfs/dbraw/zinc/68/32/27/566683227.db2.gz MQBRBVCHPRUNOL-KBPBESRZSA-N 1 3 381.314 3.042 20 0 GGADHO Brc1ccc(-n2cc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000515061150 566689024 /nfs/dbraw/zinc/68/90/24/566689024.db2.gz TXHXVEFOWSQLPO-SJORKVTESA-N 1 3 389.341 3.456 20 0 GGADHO Brc1ccc(-n2cc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000515061147 566690018 /nfs/dbraw/zinc/69/00/18/566690018.db2.gz TXHXVEFOWSQLPO-DLBZAZTESA-N 1 3 389.341 3.456 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000581053815 566745624 /nfs/dbraw/zinc/74/56/24/566745624.db2.gz NLUSKVMNASCYCN-GASCZTMLSA-N 1 3 395.345 3.076 20 0 GGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000542152328 566778517 /nfs/dbraw/zinc/77/85/17/566778517.db2.gz SCRIQRWHNMEXGE-LJQANCHMSA-N 1 3 380.374 3.444 20 0 GGADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)Cc1ccccc1Br ZINC000562368492 566784573 /nfs/dbraw/zinc/78/45/73/566784573.db2.gz DRBBHVPEUKKNCU-MRXNPFEDSA-N 1 3 381.358 3.064 20 0 GGADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc(I)cc1 ZINC000542666459 566816499 /nfs/dbraw/zinc/81/64/99/566816499.db2.gz ZSONELFVNVVRMS-CQSZACIVSA-N 1 3 390.309 3.300 20 0 GGADHO C[NH2+]CCC1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000469854164 566819847 /nfs/dbraw/zinc/81/98/47/566819847.db2.gz VQSXZZYVYGJZEY-UHFFFAOYSA-N 1 3 377.330 3.456 20 0 GGADHO Cc1nn(-c2ccccc2Br)cc1CNCC1CC[NH+](C)CC1 ZINC000655729868 566839890 /nfs/dbraw/zinc/83/98/90/566839890.db2.gz OHKFDPDWWGBNLB-UHFFFAOYSA-N 1 3 377.330 3.375 20 0 GGADHO COc1sc(CNCC2(SC)CC[NH+](C)CC2)cc1Br ZINC000582330569 566853514 /nfs/dbraw/zinc/85/35/14/566853514.db2.gz YYSBKCACXMSRGH-UHFFFAOYSA-N 1 3 379.389 3.436 20 0 GGADHO COc1sc(C[NH2+]CC2(SC)CCN(C)CC2)cc1Br ZINC000582330569 566853517 /nfs/dbraw/zinc/85/35/17/566853517.db2.gz YYSBKCACXMSRGH-UHFFFAOYSA-N 1 3 379.389 3.436 20 0 GGADHO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000563155262 566860516 /nfs/dbraw/zinc/86/05/16/566860516.db2.gz DNZILTLRJISPKB-OALUTQOASA-N 1 3 377.326 3.202 20 0 GGADHO CC[N@H+](Cc1cccc(Br)c1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000563155262 566860519 /nfs/dbraw/zinc/86/05/19/566860519.db2.gz DNZILTLRJISPKB-OALUTQOASA-N 1 3 377.326 3.202 20 0 GGADHO CC[C@H](NCCC[N@H+](C)CCOC)c1ccc(I)cc1 ZINC000610799195 566865514 /nfs/dbraw/zinc/86/55/14/566865514.db2.gz IYQJLZBPQDGLLX-INIZCTEOSA-N 1 3 390.309 3.300 20 0 GGADHO CC[C@H](NCCC[N@@H+](C)CCOC)c1ccc(I)cc1 ZINC000610799195 566865523 /nfs/dbraw/zinc/86/55/23/566865523.db2.gz IYQJLZBPQDGLLX-INIZCTEOSA-N 1 3 390.309 3.300 20 0 GGADHO C[C@@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490632673 566872602 /nfs/dbraw/zinc/87/26/02/566872602.db2.gz SXSGUEIPFWJIMG-DNVCBOLYSA-N 1 3 386.367 3.330 20 0 GGADHO C[C@@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490632673 566872607 /nfs/dbraw/zinc/87/26/07/566872607.db2.gz SXSGUEIPFWJIMG-DNVCBOLYSA-N 1 3 386.367 3.330 20 0 GGADHO CC[NH+](CC)CCOCCNCc1ccc(Br)c2cccnc12 ZINC000543620999 566893618 /nfs/dbraw/zinc/89/36/18/566893618.db2.gz ATJQEOZWUWYQOQ-UHFFFAOYSA-N 1 3 380.330 3.445 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000491587717 566911954 /nfs/dbraw/zinc/91/19/54/566911954.db2.gz BDCCLXSZLOKODU-CQSZACIVSA-N 1 3 396.373 3.149 20 0 GGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000583217368 566930124 /nfs/dbraw/zinc/93/01/24/566930124.db2.gz XWJZJHLHEUDLFK-RBSFLKMASA-N 1 3 385.371 3.465 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000519381456 566937007 /nfs/dbraw/zinc/93/70/07/566937007.db2.gz KDGZMBXHJGHUFM-RCCFBDPRSA-N 1 3 394.357 3.079 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000519381454 566937498 /nfs/dbraw/zinc/93/74/98/566937498.db2.gz KDGZMBXHJGHUFM-KZNAEPCWSA-N 1 3 394.357 3.079 20 0 GGADHO C[C@H](NCCn1cc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519544905 566947444 /nfs/dbraw/zinc/94/74/44/566947444.db2.gz MLFNIRXEOXVXBP-RDJZCZTQSA-N 1 3 377.330 3.146 20 0 GGADHO C[C@H](NCCn1cc(Br)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519544905 566947450 /nfs/dbraw/zinc/94/74/50/566947450.db2.gz MLFNIRXEOXVXBP-RDJZCZTQSA-N 1 3 377.330 3.146 20 0 GGADHO CC1CC[NH+](C[C@@H](O)CNC2CC(c3ccc(Br)cc3)C2)CC1 ZINC000493891254 566958496 /nfs/dbraw/zinc/95/84/96/566958496.db2.gz LHUBWYHDVMMFAP-KVZIAJEVSA-N 1 3 381.358 3.378 20 0 GGADHO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCN1CCCN(C)CC1)CC2 ZINC000493975044 566966422 /nfs/dbraw/zinc/96/64/22/566966422.db2.gz DWZMGPUNMPFAHG-SFHVURJKSA-N 1 3 380.374 3.362 20 0 GGADHO Clc1cnc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000472041060 566996854 /nfs/dbraw/zinc/99/68/54/566996854.db2.gz CHSTVYXYYWKQGD-UHFFFAOYSA-N 1 3 378.973 3.484 20 0 GGADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430598480 567024801 /nfs/dbraw/zinc/02/48/01/567024801.db2.gz OKROCLMMWKOYEZ-HNNXBMFYSA-N 1 3 396.373 3.118 20 0 GGADHO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000564988724 567028093 /nfs/dbraw/zinc/02/80/93/567028093.db2.gz OSFCSYXZFCNQJL-ILXRZTDVSA-N 1 3 380.330 3.098 20 0 GGADHO Brc1ccc(-n2cc(CN3CCC4(CC[NH2+]C4)CC3)cn2)cc1 ZINC000430965607 567042059 /nfs/dbraw/zinc/04/20/59/567042059.db2.gz LPVFRTVFMWWBOZ-UHFFFAOYSA-N 1 3 375.314 3.210 20 0 GGADHO Brc1cncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000657612880 567076934 /nfs/dbraw/zinc/07/69/34/567076934.db2.gz DFVFKZJORSVFEW-UHFFFAOYSA-N 1 3 375.314 3.241 20 0 GGADHO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CCCN(C)CC[NH+](C)C ZINC000565680733 567089940 /nfs/dbraw/zinc/08/99/40/567089940.db2.gz GSHQLDUNDZMGID-CQSZACIVSA-N 1 3 389.371 3.136 20 0 GGADHO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000657872544 567101634 /nfs/dbraw/zinc/10/16/34/567101634.db2.gz OAFMMCZEJKWTFF-IBGZPJMESA-N 1 3 382.390 3.387 20 0 GGADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565834278 567104272 /nfs/dbraw/zinc/10/42/72/567104272.db2.gz DTYKUCAZSXKNHS-HZPDHXFCSA-N 1 3 384.351 3.273 20 0 GGADHO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000658003835 567114037 /nfs/dbraw/zinc/11/40/37/567114037.db2.gz USKMMPOFYXTUNR-GOSISDBHSA-N 1 3 382.390 3.386 20 0 GGADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000615462740 567185476 /nfs/dbraw/zinc/18/54/76/567185476.db2.gz GHUZBIVGNYTYRF-OAHLLOKOSA-N 1 3 375.340 3.397 20 0 GGADHO CN(CCCN(C)Cc1cc(Br)c(Cl)s1)CC[NH+](C)C ZINC000566824698 567193953 /nfs/dbraw/zinc/19/39/53/567193953.db2.gz VDMFITQZDXSVHV-UHFFFAOYSA-N 1 3 382.799 3.479 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000524931188 567222729 /nfs/dbraw/zinc/22/27/29/567222729.db2.gz VWVGRLWIFWYWDE-INIZCTEOSA-N 1 3 384.977 3.012 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000524931189 567222929 /nfs/dbraw/zinc/22/29/29/567222929.db2.gz VWVGRLWIFWYWDE-MRXNPFEDSA-N 1 3 384.977 3.012 20 0 GGADHO C[NH2+]C[C@H](C)NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000659645533 567223468 /nfs/dbraw/zinc/22/34/68/567223468.db2.gz JXJQUKYHOHDZIB-AWEZNQCLSA-N 1 3 387.355 3.209 20 0 GGADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cnn2cc(Br)cnc12 ZINC000638366620 567244645 /nfs/dbraw/zinc/24/46/45/567244645.db2.gz PSGKSDSPOPDHRM-CQSZACIVSA-N 1 3 380.334 3.236 20 0 GGADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cnn2cc(Br)cnc12 ZINC000638366620 567244649 /nfs/dbraw/zinc/24/46/49/567244649.db2.gz PSGKSDSPOPDHRM-CQSZACIVSA-N 1 3 380.334 3.236 20 0 GGADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000590787268 567247535 /nfs/dbraw/zinc/24/75/35/567247535.db2.gz XQAWSWMATUMRQN-GOSISDBHSA-N 1 3 399.373 3.241 20 0 GGADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000590787268 567247538 /nfs/dbraw/zinc/24/75/38/567247538.db2.gz XQAWSWMATUMRQN-GOSISDBHSA-N 1 3 399.373 3.241 20 0 GGADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1Br ZINC000638734699 567265899 /nfs/dbraw/zinc/26/58/99/567265899.db2.gz MOFXKFWEMMDZAF-CQSZACIVSA-N 1 3 385.346 3.041 20 0 GGADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccc(Br)cc1 ZINC000638699994 567266062 /nfs/dbraw/zinc/26/60/62/567266062.db2.gz UZMCFTQVXLCSMH-AWEZNQCLSA-N 1 3 385.346 3.041 20 0 GGADHO C[N@@H+]1CC[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000591865692 567302577 /nfs/dbraw/zinc/30/25/77/567302577.db2.gz LYXHBVMUVWAHST-INIZCTEOSA-N 1 3 384.351 3.370 20 0 GGADHO C[N@H+]1CC[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000591865692 567302581 /nfs/dbraw/zinc/30/25/81/567302581.db2.gz LYXHBVMUVWAHST-INIZCTEOSA-N 1 3 384.351 3.370 20 0 GGADHO Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCN(C3CC3)C2)s1 ZINC000527638566 567354462 /nfs/dbraw/zinc/35/44/62/567354462.db2.gz XLKIRCZHNCSZGS-NSHDSACASA-N 1 3 381.343 3.475 20 0 GGADHO CN1CCN(CCCC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000569531942 567410487 /nfs/dbraw/zinc/41/04/87/567410487.db2.gz BLUINDCODKWXOQ-UHFFFAOYSA-N 1 3 380.374 3.312 20 0 GGADHO C[C@@H](NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccc(Br)cc1 ZINC000662315851 567427629 /nfs/dbraw/zinc/42/76/29/567427629.db2.gz UECLXFVXTWGBPT-IIDMSEBBSA-N 1 3 396.373 3.466 20 0 GGADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2c(s1)CCNC2 ZINC000662426477 567434766 /nfs/dbraw/zinc/43/47/66/567434766.db2.gz RWWURNBWWFQQRC-CQSZACIVSA-N 1 3 375.563 3.097 20 0 GGADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2c(s1)CCNC2 ZINC000662426477 567434770 /nfs/dbraw/zinc/43/47/70/567434770.db2.gz RWWURNBWWFQQRC-CQSZACIVSA-N 1 3 375.563 3.097 20 0 GGADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc2c(s1)CCNC2 ZINC000662505602 567443313 /nfs/dbraw/zinc/44/33/13/567443313.db2.gz YBMDBMDSDRXNCN-UHFFFAOYSA-N 1 3 377.476 3.130 20 0 GGADHO CN(CCCOc1cccc(I)c1)[C@@H]1CCC[NH2+]CC1 ZINC000478552456 567467193 /nfs/dbraw/zinc/46/71/93/567467193.db2.gz SPYHQRKJPUMGKY-OAHLLOKOSA-N 1 3 388.293 3.134 20 0 GGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644529878 567555891 /nfs/dbraw/zinc/55/58/91/567555891.db2.gz HLYDSFZTTPJJTF-OAHLLOKOSA-N 1 3 375.340 3.443 20 0 GGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644532070 567556143 /nfs/dbraw/zinc/55/61/43/567556143.db2.gz YTJVTNUMHHBKMZ-HUUCEWRRSA-N 1 3 375.340 3.443 20 0 GGADHO C[C@H](CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)N1CCCCC1 ZINC000644621027 567564395 /nfs/dbraw/zinc/56/43/95/567564395.db2.gz NULYSOSDCLYUII-NVXWUHKLSA-N 1 3 385.346 3.043 20 0 GGADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000459713777 567653548 /nfs/dbraw/zinc/65/35/48/567653548.db2.gz XCYJKBAYIPFXDN-OAHLLOKOSA-N 1 3 387.337 3.202 20 0 GGADHO C[N@@H+]1CCC[C@@H](CCNCc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000459730177 567656731 /nfs/dbraw/zinc/65/67/31/567656731.db2.gz JXUQTHIIRSCQOA-AWEZNQCLSA-N 1 3 383.330 3.432 20 0 GGADHO C[N@H+]1CCC[C@@H](CCNCc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000459730177 567656736 /nfs/dbraw/zinc/65/67/36/567656736.db2.gz JXUQTHIIRSCQOA-AWEZNQCLSA-N 1 3 383.330 3.432 20 0 GGADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000459780900 567659451 /nfs/dbraw/zinc/65/94/51/567659451.db2.gz LTTZLIZEMQJENN-INIZCTEOSA-N 1 3 396.373 3.107 20 0 GGADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000459780900 567659459 /nfs/dbraw/zinc/65/94/59/567659459.db2.gz LTTZLIZEMQJENN-INIZCTEOSA-N 1 3 396.373 3.107 20 0 GGADHO O=C(C[C@@H]1CC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000646254003 567702810 /nfs/dbraw/zinc/70/28/10/567702810.db2.gz INWOZKJBLQAIOZ-HNNXBMFYSA-N 1 3 384.351 3.417 20 0 GGADHO Cc1cc(CNCCc2ccc(OCC[NH+](C)C)cc2)ncc1Br ZINC000623405520 567707928 /nfs/dbraw/zinc/70/79/28/567707928.db2.gz LLFWZHGXQYJUNB-UHFFFAOYSA-N 1 3 392.341 3.425 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995105 567717677 /nfs/dbraw/zinc/71/76/77/567717677.db2.gz DKAPXLFLSAWQEZ-BBRMVZONSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995105 567717683 /nfs/dbraw/zinc/71/76/83/567717683.db2.gz DKAPXLFLSAWQEZ-BBRMVZONSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@H](CN[C@H](C)CC(=O)Nc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000532474130 567718812 /nfs/dbraw/zinc/71/88/12/567718812.db2.gz UKSXNGUMCQBSCC-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)CN1CCCC1 ZINC000532474130 567718819 /nfs/dbraw/zinc/71/88/19/567718819.db2.gz UKSXNGUMCQBSCC-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000574080946 567754822 /nfs/dbraw/zinc/75/48/22/567754822.db2.gz BEUDSJZDZYHKMP-CABCVRRESA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000574080946 567754826 /nfs/dbraw/zinc/75/48/26/567754826.db2.gz BEUDSJZDZYHKMP-CABCVRRESA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000574080946 567754830 /nfs/dbraw/zinc/75/48/30/567754830.db2.gz BEUDSJZDZYHKMP-CABCVRRESA-N 1 3 382.346 3.486 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119670 567760920 /nfs/dbraw/zinc/76/09/20/567760920.db2.gz GVFOFJHQDFXRSL-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624119670 567760924 /nfs/dbraw/zinc/76/09/24/567760924.db2.gz GVFOFJHQDFXRSL-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624119670 567760927 /nfs/dbraw/zinc/76/09/27/567760927.db2.gz GVFOFJHQDFXRSL-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO Brc1cncc(Br)c1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798837 567802245 /nfs/dbraw/zinc/80/22/45/567802245.db2.gz XZSURWKBYADAND-HBNTYKKESA-N 1 3 389.135 3.084 20 0 GGADHO Brc1cncc(Br)c1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798838 567801741 /nfs/dbraw/zinc/80/17/41/567801741.db2.gz XZSURWKBYADAND-OUAUKWLOSA-N 1 3 389.135 3.084 20 0 GGADHO COc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1OC ZINC000647986875 567809952 /nfs/dbraw/zinc/80/99/52/567809952.db2.gz ILBXBQPZEVYFFN-KBPBESRZSA-N 1 3 383.330 3.288 20 0 GGADHO COc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Br)c1OC ZINC000647986877 567810083 /nfs/dbraw/zinc/81/00/83/567810083.db2.gz ILBXBQPZEVYFFN-UONOGXRCSA-N 1 3 383.330 3.288 20 0 GGADHO CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000821197897 599396029 /nfs/dbraw/zinc/39/60/29/599396029.db2.gz NRWQCSYMAPZTAM-UHFFFAOYSA-N 1 3 380.496 3.007 20 0 GGADHO c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(-c4nnn[n-]4)cc2)CC3)cc1 ZINC000826521823 608105604 /nfs/dbraw/zinc/10/56/04/608105604.db2.gz ZSQOLQJTMCFSHO-UHFFFAOYSA-N 1 3 388.519 3.355 20 0 GGADHO c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(-c4nnn[n-]4)cc2)CC3)cc1 ZINC000826521823 608105605 /nfs/dbraw/zinc/10/56/05/608105605.db2.gz ZSQOLQJTMCFSHO-UHFFFAOYSA-N 1 3 388.519 3.355 20 0 GGADHO c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(-c4nn[n-]n4)cc2)CC3)cc1 ZINC000826521823 608105606 /nfs/dbraw/zinc/10/56/06/608105606.db2.gz ZSQOLQJTMCFSHO-UHFFFAOYSA-N 1 3 388.519 3.355 20 0 GGADHO c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(-c4nn[n-]n4)cc2)CC3)cc1 ZINC000826521823 608105607 /nfs/dbraw/zinc/10/56/07/608105607.db2.gz ZSQOLQJTMCFSHO-UHFFFAOYSA-N 1 3 388.519 3.355 20 0 GGADHO C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825918931 608207525 /nfs/dbraw/zinc/20/75/25/608207525.db2.gz PJJJSVIPCRTCRR-UHFFFAOYSA-N 1 3 377.496 3.000 20 0 GGADHO C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825918931 608207526 /nfs/dbraw/zinc/20/75/26/608207526.db2.gz PJJJSVIPCRTCRR-UHFFFAOYSA-N 1 3 377.496 3.000 20 0 GGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054044785 1406602776 /nfs/dbraw/zinc/60/27/76/1406602776.db2.gz CFJVKDXVPHAQGO-HSZRJFAPSA-N 1 3 392.547 3.225 20 0 GGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000054720622 1406812828 /nfs/dbraw/zinc/81/28/28/1406812828.db2.gz ZDHBVNLWLZRABM-CTNGQTDRSA-N 1 3 384.568 3.482 20 0 GGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000054777642 1406822786 /nfs/dbraw/zinc/82/27/86/1406822786.db2.gz KWFYSSXLCIMCJG-UHFFFAOYSA-N 1 3 394.563 3.391 20 0 GGADHO Cn1cc(C[NH2+]CCCN2CCCCC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000028310426 1400149681 /nfs/dbraw/zinc/14/96/81/1400149681.db2.gz MHDZVZIUMADARE-UHFFFAOYSA-N 1 3 384.524 3.214 20 0 GGADHO O=C(NCCC[NH2+]C1CCCCC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000043038007 1403694775 /nfs/dbraw/zinc/69/47/75/1403694775.db2.gz HBIBSQUESBCQQN-GOSISDBHSA-N 1 3 378.586 3.497 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+](C(C)C)CC3)c(C)c2)CC1 ZINC000043526562 1403779854 /nfs/dbraw/zinc/77/98/54/1403779854.db2.gz PPQGETUEHLWJST-UHFFFAOYSA-N 1 3 387.572 3.131 20 0 GGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047301917 1404795738 /nfs/dbraw/zinc/79/57/38/1404795738.db2.gz GMMNGELRDSIWLE-QHCPKHFHSA-N 1 3 377.532 3.289 20 0 GGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000047929657 1405001245 /nfs/dbraw/zinc/00/12/45/1405001245.db2.gz BYMHUAVFLQJJQI-HSZRJFAPSA-N 1 3 396.579 3.499 20 0 GGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000047929657 1405001252 /nfs/dbraw/zinc/00/12/52/1405001252.db2.gz BYMHUAVFLQJJQI-HSZRJFAPSA-N 1 3 396.579 3.499 20 0 GGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000047964776 1405012909 /nfs/dbraw/zinc/01/29/09/1405012909.db2.gz FRRHNAIRKLSBHY-QHCPKHFHSA-N 1 3 392.547 3.356 20 0 GGADHO COc1cccc(-c2n[nH]cc2CNCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000048717343 1405266702 /nfs/dbraw/zinc/26/67/02/1405266702.db2.gz PTMDTDFZPFGXSS-UHFFFAOYSA-N 1 3 380.492 3.316 20 0 GGADHO CC[C@@H](C)c1ccccc1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050799533 1405656943 /nfs/dbraw/zinc/65/69/43/1405656943.db2.gz KTNPJILCMLRRHS-GOSISDBHSA-N 1 3 387.568 3.254 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3c4c(nc5ccccc53)CCC4)CC2)CC1 ZINC000050799393 1405657055 /nfs/dbraw/zinc/65/70/55/1405657055.db2.gz HXMVNCVHBCTMHM-UHFFFAOYSA-N 1 3 392.547 3.012 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccc(F)cc4)CCCC3)CC2)CC1 ZINC000050799390 1405657383 /nfs/dbraw/zinc/65/73/83/1405657383.db2.gz HMTHJYSHRHOKHR-UHFFFAOYSA-N 1 3 387.543 3.312 20 0 GGADHO Cc1ccc2nc(C)c(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2c1 ZINC000050800066 1405658258 /nfs/dbraw/zinc/65/82/58/1405658258.db2.gz UVTUJKXWFRONDE-UHFFFAOYSA-N 1 3 380.536 3.140 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)CC2)CC1 ZINC000050799996 1405658567 /nfs/dbraw/zinc/65/85/67/1405658567.db2.gz MQVIZEVMORRNGE-RTBURBONSA-N 1 3 375.944 3.118 20 0 GGADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)n1Cc1ccco1 ZINC000050801446 1405659970 /nfs/dbraw/zinc/65/99/70/1405659970.db2.gz LQXPGVQZHXTUGS-UHFFFAOYSA-N 1 3 398.551 3.035 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000051280039 1405773221 /nfs/dbraw/zinc/77/32/21/1405773221.db2.gz RMSFSLPWKKZQOD-UHFFFAOYSA-N 1 3 398.473 3.063 20 0 GGADHO CCc1ccc(CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C2CC2)cc1 ZINC000051758708 1405860639 /nfs/dbraw/zinc/86/06/39/1405860639.db2.gz VCNJELRWTBILSB-UHFFFAOYSA-N 1 3 398.595 3.482 20 0 GGADHO CN(Cc1cccc(Cl)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759732 1405860670 /nfs/dbraw/zinc/86/06/70/1405860670.db2.gz ILDSVVPOUJZEFN-UHFFFAOYSA-N 1 3 378.948 3.040 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000051758625 1405860774 /nfs/dbraw/zinc/86/07/74/1405860774.db2.gz NIDICQMZSKIXOP-VQTJNVASSA-N 1 3 378.605 3.449 20 0 GGADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCCc2ccccc21 ZINC000051759513 1405860899 /nfs/dbraw/zinc/86/08/99/1405860899.db2.gz XSQOPFSLLAIQOL-JOCHJYFZSA-N 1 3 384.568 3.264 20 0 GGADHO CSc1ccc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051760074 1405861126 /nfs/dbraw/zinc/86/11/26/1405861126.db2.gz SBYBIHXMYAWJNG-INIZCTEOSA-N 1 3 390.597 3.327 20 0 GGADHO Cc1cc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000051760940 1405861328 /nfs/dbraw/zinc/86/13/28/1405861328.db2.gz HULOAHCCAMWQBF-HNNXBMFYSA-N 1 3 378.586 3.284 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCCC[C@H]3c3ccncc3)CC2)CC1 ZINC000051759954 1405861358 /nfs/dbraw/zinc/86/13/58/1405861358.db2.gz XUZFCXNGASKPHX-QFIPXVFZSA-N 1 3 399.583 3.267 20 0 GGADHO CN(CCCCc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777849 1405862546 /nfs/dbraw/zinc/86/25/46/1405862546.db2.gz DPLFGRDRSZBIIK-UHFFFAOYSA-N 1 3 386.584 3.209 20 0 GGADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000056796627 1407435741 /nfs/dbraw/zinc/43/57/41/1407435741.db2.gz LKECMLMQBJMVBP-QFIPXVFZSA-N 1 3 398.526 3.173 20 0 GGADHO COc1ccc([C@@H](CNC(=O)NC[C@H](C)[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000057166099 1407540717 /nfs/dbraw/zinc/54/07/17/1407540717.db2.gz DPZKGLDZBIGCKH-GHTZIAJQSA-N 1 3 388.556 3.006 20 0 GGADHO Cc1ccc2nc(CN3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc(=O)n2c1 ZINC000057843783 1407736225 /nfs/dbraw/zinc/73/62/25/1407736225.db2.gz ZNSYHHYWQVZJNX-UHFFFAOYSA-N 1 3 390.531 3.347 20 0 GGADHO Cc1ccc2nc(CN3CCC(C[N@H+](C)Cc4ccccc4)CC3)cc(=O)n2c1 ZINC000057843783 1407736231 /nfs/dbraw/zinc/73/62/31/1407736231.db2.gz ZNSYHHYWQVZJNX-UHFFFAOYSA-N 1 3 390.531 3.347 20 0 GGADHO CN(C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000060954759 1408055800 /nfs/dbraw/zinc/05/58/00/1408055800.db2.gz BPXCIIUHTSEUCC-QFIPXVFZSA-N 1 3 380.536 3.385 20 0 GGADHO CC[C@@H](Cc1ccccc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176381897 1428286964 /nfs/dbraw/zinc/28/69/64/1428286964.db2.gz XTOPWRYWBHISTQ-NRFANRHFSA-N 1 3 386.584 3.208 20 0 GGADHO C[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)Sc1ccccc1 ZINC000176382717 1428287831 /nfs/dbraw/zinc/28/78/31/1428287831.db2.gz ZRASAXBFVHACIL-QGZVFWFLSA-N 1 3 390.597 3.025 20 0 GGADHO C[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)Sc1ccccc1 ZINC000176382700 1428288188 /nfs/dbraw/zinc/28/81/88/1428288188.db2.gz ZRASAXBFVHACIL-KRWDZBQOSA-N 1 3 390.597 3.025 20 0 GGADHO C[N@H+](CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)Cc1ccccc1 ZINC000061501797 1408138006 /nfs/dbraw/zinc/13/80/06/1408138006.db2.gz SFWPAFGZHVMJOE-HSZRJFAPSA-N 1 3 394.563 3.472 20 0 GGADHO C[N@@H+](CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)Cc1ccccc1 ZINC000061501797 1408138016 /nfs/dbraw/zinc/13/80/16/1408138016.db2.gz SFWPAFGZHVMJOE-HSZRJFAPSA-N 1 3 394.563 3.472 20 0 GGADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C[C@H](C)O1 ZINC000062252949 1408224625 /nfs/dbraw/zinc/22/46/25/1408224625.db2.gz ONLIDKZWWKQUIX-HOTGVXAUSA-N 1 3 382.932 3.480 20 0 GGADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)C(C)C ZINC000062474153 1408262752 /nfs/dbraw/zinc/26/27/52/1408262752.db2.gz RQLSCXOSKHCOIO-UHFFFAOYSA-N 1 3 384.515 3.157 20 0 GGADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000062473662 1408263111 /nfs/dbraw/zinc/26/31/11/1408263111.db2.gz TWFCKJCUGZUWAK-UHFFFAOYSA-N 1 3 396.526 3.347 20 0 GGADHO CN(C)[C@H](CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000063143305 1408307470 /nfs/dbraw/zinc/30/74/70/1408307470.db2.gz KKWKLUUFZAGPSO-JOCHJYFZSA-N 1 3 396.604 3.418 20 0 GGADHO CN1CCC(NC(=S)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC1 ZINC000063147094 1408308058 /nfs/dbraw/zinc/30/80/58/1408308058.db2.gz AWGGUOFOKHQPMW-UHFFFAOYSA-N 1 3 396.604 3.474 20 0 GGADHO C[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000063150088 1408309666 /nfs/dbraw/zinc/30/96/66/1408309666.db2.gz OFOBMNXAYCESAB-LJQANCHMSA-N 1 3 388.625 3.237 20 0 GGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)c1 ZINC000064229450 1408515701 /nfs/dbraw/zinc/51/57/01/1408515701.db2.gz PXRRBBXIYGIUKZ-UHFFFAOYSA-N 1 3 386.540 3.313 20 0 GGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(C)o2)c1 ZINC000064229450 1408515720 /nfs/dbraw/zinc/51/57/20/1408515720.db2.gz PXRRBBXIYGIUKZ-UHFFFAOYSA-N 1 3 386.540 3.313 20 0 GGADHO Cc1ccc([C@H](CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)N(C)C)cc1 ZINC000065469874 1408673821 /nfs/dbraw/zinc/67/38/21/1408673821.db2.gz ISNJDSBZFDIVFD-QFIPXVFZSA-N 1 3 398.551 3.038 20 0 GGADHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000066921545 1408952406 /nfs/dbraw/zinc/95/24/06/1408952406.db2.gz ZFXAVDRLEYGAGN-UHFFFAOYSA-N 1 3 381.564 3.413 20 0 GGADHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000066921545 1408952409 /nfs/dbraw/zinc/95/24/09/1408952409.db2.gz ZFXAVDRLEYGAGN-UHFFFAOYSA-N 1 3 381.564 3.413 20 0 GGADHO O=C1OCCN1c1cccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000066974106 1408969438 /nfs/dbraw/zinc/96/94/38/1408969438.db2.gz OFVQBKAYPCBHPZ-UHFFFAOYSA-N 1 3 395.503 3.408 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000067671624 1409203744 /nfs/dbraw/zinc/20/37/44/1409203744.db2.gz JHPWDEGTYAUAQJ-ZDUSSCGKSA-N 1 3 393.425 3.005 20 0 GGADHO CCN1CCN(CCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000067672513 1409203896 /nfs/dbraw/zinc/20/38/96/1409203896.db2.gz JZCNIKXBLDQLCJ-UHFFFAOYSA-N 1 3 395.473 3.008 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000067704226 1409209859 /nfs/dbraw/zinc/20/98/59/1409209859.db2.gz PPPPRNQOBXAJSM-JOCHJYFZSA-N 1 3 398.551 3.497 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000067704228 1409209949 /nfs/dbraw/zinc/20/99/49/1409209949.db2.gz PPPPRNQOBXAJSM-QFIPXVFZSA-N 1 3 398.551 3.497 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC1 ZINC000068580511 1409444799 /nfs/dbraw/zinc/44/47/99/1409444799.db2.gz DBLJIEZDLHRGEE-UHFFFAOYSA-N 1 3 396.526 3.158 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000068580510 1409444882 /nfs/dbraw/zinc/44/48/82/1409444882.db2.gz NKNHSFYSPMKDJC-UHFFFAOYSA-N 1 3 396.526 3.158 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CCC[N@@H+](C(C)C)CC3)c(C)c2)CC1 ZINC000069224665 1409589783 /nfs/dbraw/zinc/58/97/83/1409589783.db2.gz ZGYYNCDLXISMMS-UHFFFAOYSA-N 1 3 387.572 3.085 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CCC[N@H+](C(C)C)CC3)c(C)c2)CC1 ZINC000069224665 1409589789 /nfs/dbraw/zinc/58/97/89/1409589789.db2.gz ZGYYNCDLXISMMS-UHFFFAOYSA-N 1 3 387.572 3.085 20 0 GGADHO C[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044420 1409840819 /nfs/dbraw/zinc/84/08/19/1409840819.db2.gz OINOHNPYLYKKOJ-ROUUACIJSA-N 1 3 378.586 3.305 20 0 GGADHO Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)c(C[NH+](C)C)c1 ZINC000073129100 1409858263 /nfs/dbraw/zinc/85/82/63/1409858263.db2.gz FIJWGRFWKCCCBM-UHFFFAOYSA-N 1 3 380.536 3.056 20 0 GGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000074833176 1409877072 /nfs/dbraw/zinc/87/70/72/1409877072.db2.gz GMTJJQWYKGQYOL-UNMCSNQZSA-N 1 3 386.584 3.225 20 0 GGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000074833176 1409877075 /nfs/dbraw/zinc/87/70/75/1409877075.db2.gz GMTJJQWYKGQYOL-UNMCSNQZSA-N 1 3 386.584 3.225 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000077545856 1409897193 /nfs/dbraw/zinc/89/71/93/1409897193.db2.gz ILFNGRQUTHVMNW-HXUWFJFHSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000077545857 1409897324 /nfs/dbraw/zinc/89/73/24/1409897324.db2.gz ILFNGRQUTHVMNW-FQEVSTJZSA-N 1 3 386.584 3.413 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000079076696 1409954946 /nfs/dbraw/zinc/95/49/46/1409954946.db2.gz JXASRRWRJAKGBD-UHFFFAOYSA-N 1 3 376.545 3.195 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000079188759 1409962460 /nfs/dbraw/zinc/96/24/60/1409962460.db2.gz CNGDHCHRQUHMKC-UHFFFAOYSA-N 1 3 376.545 3.150 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000079224095 1409963876 /nfs/dbraw/zinc/96/38/76/1409963876.db2.gz NDQIANLCMURCQH-GOSISDBHSA-N 1 3 378.586 3.305 20 0 GGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000079394070 1409974738 /nfs/dbraw/zinc/97/47/38/1409974738.db2.gz WHJWSXIDGVBIHE-OAQYLSRUSA-N 1 3 386.584 3.416 20 0 GGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000079394070 1409974763 /nfs/dbraw/zinc/97/47/63/1409974763.db2.gz WHJWSXIDGVBIHE-OAQYLSRUSA-N 1 3 386.584 3.416 20 0 GGADHO C[NH+](C)CCC1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000079572795 1409982355 /nfs/dbraw/zinc/98/23/55/1409982355.db2.gz KJCBMCAIWZZHDW-GOSISDBHSA-N 1 3 378.586 3.258 20 0 GGADHO CC[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)N1CCc2ccccc2C1 ZINC000079599328 1409982645 /nfs/dbraw/zinc/98/26/45/1409982645.db2.gz RZVPRYOCSYFHHB-QFIPXVFZSA-N 1 3 386.584 3.197 20 0 GGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000079627283 1409984449 /nfs/dbraw/zinc/98/44/49/1409984449.db2.gz KWRJGWSILIBWRY-JOCHJYFZSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000079627283 1409984464 /nfs/dbraw/zinc/98/44/64/1409984464.db2.gz KWRJGWSILIBWRY-JOCHJYFZSA-N 1 3 386.584 3.413 20 0 GGADHO CC[C@H](CNC(=O)N1CCC([NH+](CC)CC)CC1)N1CCc2ccccc2C1 ZINC000079982774 1409996220 /nfs/dbraw/zinc/99/62/20/1409996220.db2.gz VYHACJIZMCNCIT-OAQYLSRUSA-N 1 3 386.584 3.339 20 0 GGADHO CC[NH+](CC)C1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000080012324 1409998570 /nfs/dbraw/zinc/99/85/70/1409998570.db2.gz FIBJZUDYODQMMW-UHFFFAOYSA-N 1 3 386.584 3.339 20 0 GGADHO C[C@H](c1ccncc1)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000081156068 1410015608 /nfs/dbraw/zinc/01/56/08/1410015608.db2.gz WTMSIKFUEBIGRW-LJQANCHMSA-N 1 3 380.536 3.103 20 0 GGADHO Cc1ccccc1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000081156151 1410015940 /nfs/dbraw/zinc/01/59/40/1410015940.db2.gz XGLJPZWNTGGLNT-UHFFFAOYSA-N 1 3 379.548 3.455 20 0 GGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000081363203 1410018428 /nfs/dbraw/zinc/01/84/28/1410018428.db2.gz ZMUPRHNFQQMFOQ-VQTJNVASSA-N 1 3 375.532 3.228 20 0 GGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000081363203 1410018436 /nfs/dbraw/zinc/01/84/36/1410018436.db2.gz ZMUPRHNFQQMFOQ-VQTJNVASSA-N 1 3 375.532 3.228 20 0 GGADHO CC[NH+](CC)Cc1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000085456473 1410042252 /nfs/dbraw/zinc/04/22/52/1410042252.db2.gz GIKAVQORIAVDKK-OALUTQOASA-N 1 3 375.557 3.148 20 0 GGADHO COc1cc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090526331 1410063959 /nfs/dbraw/zinc/06/39/59/1410063959.db2.gz FBNLTXAIYNSYTF-DBVUQKKJSA-N 1 3 376.541 3.431 20 0 GGADHO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000090526741 1410065259 /nfs/dbraw/zinc/06/52/59/1410065259.db2.gz QFQSKYLHVJGUDZ-QGTPRVQTSA-N 1 3 381.586 3.059 20 0 GGADHO C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)C1 ZINC000091949132 1410094276 /nfs/dbraw/zinc/09/42/76/1410094276.db2.gz FDAZULPOCGXOKB-IBGZPJMESA-N 1 3 387.568 3.098 20 0 GGADHO Cc1nccn1C[C@@H](C)C[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000092389206 1410149365 /nfs/dbraw/zinc/14/93/65/1410149365.db2.gz QJPUKSADDUNOQH-INIZCTEOSA-N 1 3 375.948 3.023 20 0 GGADHO CCOc1cccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000092426235 1410156759 /nfs/dbraw/zinc/15/67/59/1410156759.db2.gz QCNBDFGMNNFYTM-UHFFFAOYSA-N 1 3 375.557 3.001 20 0 GGADHO CCOc1cc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1OC ZINC000092587250 1410176538 /nfs/dbraw/zinc/17/65/38/1410176538.db2.gz IVLIKTXMDAFHOR-QZTJIDSGSA-N 1 3 376.541 3.415 20 0 GGADHO CCOc1cc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000092587251 1410177258 /nfs/dbraw/zinc/17/72/58/1410177258.db2.gz IVLIKTXMDAFHOR-ROUUACIJSA-N 1 3 376.541 3.415 20 0 GGADHO C[C@H](C(=O)NCc1ccccc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820975 1410203843 /nfs/dbraw/zinc/20/38/43/1410203843.db2.gz SINWJUGWAIBLNQ-LJQANCHMSA-N 1 3 380.536 3.325 20 0 GGADHO C[C@H](C1CC1)N(C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000092821387 1410204560 /nfs/dbraw/zinc/20/45/60/1410204560.db2.gz GORLGDOMYYVKIN-GOSISDBHSA-N 1 3 384.568 3.409 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3-c3cccnc3)CC2)C[C@H](C)O1 ZINC000093844268 1410275143 /nfs/dbraw/zinc/27/51/43/1410275143.db2.gz OLQLCEKPLRIFNF-KDURUIRLSA-N 1 3 397.567 3.193 20 0 GGADHO CCc1nn(C)c(CC)c1C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093844493 1410275212 /nfs/dbraw/zinc/27/52/12/1410275212.db2.gz KCRNICMDOWDHLT-HDICACEKSA-N 1 3 376.589 3.256 20 0 GGADHO COc1ccc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000093844372 1410275286 /nfs/dbraw/zinc/27/52/86/1410275286.db2.gz SFGFWESNXLPDJP-QZTJIDSGSA-N 1 3 376.541 3.415 20 0 GGADHO COc1ccc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000093844372 1410275289 /nfs/dbraw/zinc/27/52/89/1410275289.db2.gz SFGFWESNXLPDJP-QZTJIDSGSA-N 1 3 376.541 3.415 20 0 GGADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000097437696 1410369807 /nfs/dbraw/zinc/36/98/07/1410369807.db2.gz SBTJACVOGUXDLE-LJQANCHMSA-N 1 3 396.645 3.302 20 0 GGADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000097437696 1410369816 /nfs/dbraw/zinc/36/98/16/1410369816.db2.gz SBTJACVOGUXDLE-LJQANCHMSA-N 1 3 396.645 3.302 20 0 GGADHO Cc1ccc([C@H](CNC(=O)NCc2ccccc2OCC[NH+](C)C)N(C)C)cc1 ZINC000102005364 1410541441 /nfs/dbraw/zinc/54/14/41/1410541441.db2.gz PVQVECIZCCEFLK-NRFANRHFSA-N 1 3 398.551 3.038 20 0 GGADHO C[NH+]1CCC(CCNC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000102640331 1410681885 /nfs/dbraw/zinc/68/18/85/1410681885.db2.gz ISBWVBRXMHDICL-FQEVSTJZSA-N 1 3 397.485 3.289 20 0 GGADHO COc1cccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000102781537 1410751818 /nfs/dbraw/zinc/75/18/18/1410751818.db2.gz RUDZOZKLMDPYIC-UHFFFAOYSA-N 1 3 384.520 3.475 20 0 GGADHO COc1cccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000102781537 1410751831 /nfs/dbraw/zinc/75/18/31/1410751831.db2.gz RUDZOZKLMDPYIC-UHFFFAOYSA-N 1 3 384.520 3.475 20 0 GGADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)c1ccccc1 ZINC000102807155 1410771412 /nfs/dbraw/zinc/77/14/12/1410771412.db2.gz ZFFLUYFXYONCJS-GOSISDBHSA-N 1 3 386.584 3.211 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)CC2)CC1 ZINC000103077365 1410826138 /nfs/dbraw/zinc/82/61/38/1410826138.db2.gz XHYSVMJTQTVMNR-IBGZPJMESA-N 1 3 397.485 3.397 20 0 GGADHO Cc1cccc2nc(CN3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc(=O)n12 ZINC000103143168 1410831626 /nfs/dbraw/zinc/83/16/26/1410831626.db2.gz LPJHAFUQXWFWHB-UHFFFAOYSA-N 1 3 390.531 3.347 20 0 GGADHO Cc1cccc2nc(CN3CCC(C[N@H+](C)Cc4ccccc4)CC3)cc(=O)n12 ZINC000103143168 1410831628 /nfs/dbraw/zinc/83/16/28/1410831628.db2.gz LPJHAFUQXWFWHB-UHFFFAOYSA-N 1 3 390.531 3.347 20 0 GGADHO CN(C)Cc1cccc(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000103175895 1410834755 /nfs/dbraw/zinc/83/47/55/1410834755.db2.gz BDXRCXNPGAGXCK-UHFFFAOYSA-N 1 3 384.524 3.400 20 0 GGADHO CCN(CC)[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000103301028 1410844313 /nfs/dbraw/zinc/84/43/13/1410844313.db2.gz NKFHKHXIMJVGGR-OAQYLSRUSA-N 1 3 390.572 3.109 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](c3ccccc3)C3CCC3)CC2)CC1 ZINC000103870119 1410877861 /nfs/dbraw/zinc/87/78/61/1410877861.db2.gz SJIPXBGOPVYTSN-QFIPXVFZSA-N 1 3 384.568 3.386 20 0 GGADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000104213902 1410887364 /nfs/dbraw/zinc/88/73/64/1410887364.db2.gz FSHFLJYJPIYKSK-LJQANCHMSA-N 1 3 385.474 3.145 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000105273533 1411048589 /nfs/dbraw/zinc/04/85/89/1411048589.db2.gz QHGQBDUBOPDONS-IBGZPJMESA-N 1 3 378.536 3.019 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000105273533 1411048601 /nfs/dbraw/zinc/04/86/01/1411048601.db2.gz QHGQBDUBOPDONS-IBGZPJMESA-N 1 3 378.536 3.019 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000105275687 1411049165 /nfs/dbraw/zinc/04/91/65/1411049165.db2.gz AYHNTBISZODVRZ-SFHVURJKSA-N 1 3 376.545 3.006 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000105275687 1411049176 /nfs/dbraw/zinc/04/91/76/1411049176.db2.gz AYHNTBISZODVRZ-SFHVURJKSA-N 1 3 376.545 3.006 20 0 GGADHO CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)CN2CCN(CC)CC2)cc1OC ZINC000105442374 1411067294 /nfs/dbraw/zinc/06/72/94/1411067294.db2.gz LYKOTVKEIPNVMZ-MRXNPFEDSA-N 1 3 383.964 3.111 20 0 GGADHO CCOc1cc(C[NH2+]C[C@H](C)CN2CCN(CC)CC2)cc(Cl)c1OC ZINC000105442351 1411067355 /nfs/dbraw/zinc/06/73/55/1411067355.db2.gz KDABWGCZPYWWKR-INIZCTEOSA-N 1 3 383.964 3.111 20 0 GGADHO COc1ccc(CN[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(OC)c1 ZINC000105463073 1411069038 /nfs/dbraw/zinc/06/90/38/1411069038.db2.gz QUKIPUQGWJLISB-MRXNPFEDSA-N 1 3 387.499 3.446 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000107745860 1411405205 /nfs/dbraw/zinc/40/52/05/1411405205.db2.gz ZIHKSGQSLOIPQV-VQTJNVASSA-N 1 3 390.959 3.054 20 0 GGADHO CC[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCc2ccccc2C1 ZINC000107834164 1411417309 /nfs/dbraw/zinc/41/73/09/1411417309.db2.gz KZQCUAKIOOWRTO-JOCHJYFZSA-N 1 3 386.584 3.435 20 0 GGADHO CCOc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420999 1411495976 /nfs/dbraw/zinc/49/59/76/1411495976.db2.gz PBVNHUBPCJIIFU-NRFANRHFSA-N 1 3 381.520 3.072 20 0 GGADHO CCOc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420999 1411495995 /nfs/dbraw/zinc/49/59/95/1411495995.db2.gz PBVNHUBPCJIIFU-NRFANRHFSA-N 1 3 381.520 3.072 20 0 GGADHO CC(C)Oc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420587 1411496494 /nfs/dbraw/zinc/49/64/94/1411496494.db2.gz ZPGLAGMPLJTUIB-QFIPXVFZSA-N 1 3 395.547 3.461 20 0 GGADHO CC(C)Oc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420587 1411496505 /nfs/dbraw/zinc/49/65/05/1411496505.db2.gz ZPGLAGMPLJTUIB-QFIPXVFZSA-N 1 3 395.547 3.461 20 0 GGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000108815639 1411620535 /nfs/dbraw/zinc/62/05/35/1411620535.db2.gz VDWVQZYKVMACDS-PTUXOGIPSA-N 1 3 392.547 3.396 20 0 GGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000108815639 1411620549 /nfs/dbraw/zinc/62/05/49/1411620549.db2.gz VDWVQZYKVMACDS-PTUXOGIPSA-N 1 3 392.547 3.396 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)cc2)CC1 ZINC000109900342 1411817285 /nfs/dbraw/zinc/81/72/85/1411817285.db2.gz FRYBBSKZHZDDBG-HXUWFJFHSA-N 1 3 386.584 3.067 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000111491609 1411980651 /nfs/dbraw/zinc/98/06/51/1411980651.db2.gz VORCBEUYANAPRW-VXKWHMMOSA-N 1 3 384.568 3.181 20 0 GGADHO CC1(C)CC(NC(=O)CCCN2CCN(c3ccccc3)CC2)CC(C)(C)[NH2+]1 ZINC000111548022 1411990006 /nfs/dbraw/zinc/99/00/06/1411990006.db2.gz NJDXEQQMNXGYNT-UHFFFAOYSA-N 1 3 386.584 3.014 20 0 GGADHO CN(C)CC[NH+]1CCC(CNCc2csc(COc3ccccc3)n2)CC1 ZINC000113336097 1412294477 /nfs/dbraw/zinc/29/44/77/1412294477.db2.gz VHTWCVXHSGSHQO-UHFFFAOYSA-N 1 3 388.581 3.085 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@H](C)C1 ZINC000115628214 1412739099 /nfs/dbraw/zinc/73/90/99/1412739099.db2.gz VDTKGJZWSVSCRN-QAPCUYQASA-N 1 3 382.932 3.338 20 0 GGADHO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000115675712 1412758410 /nfs/dbraw/zinc/75/84/10/1412758410.db2.gz JKPBRGPXRMPZOO-AZUAARDMSA-N 1 3 384.568 3.133 20 0 GGADHO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000115675709 1412758785 /nfs/dbraw/zinc/75/87/85/1412758785.db2.gz JKPBRGPXRMPZOO-ICSRJNTNSA-N 1 3 384.568 3.133 20 0 GGADHO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000115675707 1412759083 /nfs/dbraw/zinc/75/90/83/1412759083.db2.gz JKPBRGPXRMPZOO-QUCCMNQESA-N 1 3 384.568 3.133 20 0 GGADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccccc2CC1 ZINC000116299224 1412848078 /nfs/dbraw/zinc/84/80/78/1412848078.db2.gz RLKOXORIAMXZPV-FQEVSTJZSA-N 1 3 391.559 3.257 20 0 GGADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000116395723 1412854574 /nfs/dbraw/zinc/85/45/74/1412854574.db2.gz ZQVVQELBAKALIT-OAQYLSRUSA-N 1 3 398.526 3.023 20 0 GGADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000116395725 1412854769 /nfs/dbraw/zinc/85/47/69/1412854769.db2.gz ZQVVQELBAKALIT-NRFANRHFSA-N 1 3 398.526 3.023 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116566858 1412878654 /nfs/dbraw/zinc/87/86/54/1412878654.db2.gz DKFRQNXFKLKNJV-LJQANCHMSA-N 1 3 378.561 3.252 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)Cc3ccccc3)CC2)CC1 ZINC000117407942 1413033740 /nfs/dbraw/zinc/03/37/40/1413033740.db2.gz MYVUTJNKWRVQJE-UHFFFAOYSA-N 1 3 386.584 3.113 20 0 GGADHO CC(C)[NH+](CCNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000177345149 1428700622 /nfs/dbraw/zinc/70/06/22/1428700622.db2.gz IPARYFNDUJLLGC-PMACEKPBSA-N 1 3 396.620 3.026 20 0 GGADHO C[N@H+](CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CCCC1 ZINC000118017400 1413096292 /nfs/dbraw/zinc/09/62/92/1413096292.db2.gz LBDVUJUCYLYZIL-UHFFFAOYSA-N 1 3 390.597 3.274 20 0 GGADHO C[N@@H+](CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CCCC1 ZINC000118017400 1413096298 /nfs/dbraw/zinc/09/62/98/1413096298.db2.gz LBDVUJUCYLYZIL-UHFFFAOYSA-N 1 3 390.597 3.274 20 0 GGADHO O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000118756775 1413215597 /nfs/dbraw/zinc/21/55/97/1413215597.db2.gz UUXGUUUVLYMEAZ-GOSISDBHSA-N 1 3 391.581 3.036 20 0 GGADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000118814008 1413230519 /nfs/dbraw/zinc/23/05/19/1413230519.db2.gz NZXGCVBRZNXYTJ-LJQANCHMSA-N 1 3 390.597 3.083 20 0 GGADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000118814008 1413230526 /nfs/dbraw/zinc/23/05/26/1413230526.db2.gz NZXGCVBRZNXYTJ-LJQANCHMSA-N 1 3 390.597 3.083 20 0 GGADHO CN(C)c1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000120106928 1413690198 /nfs/dbraw/zinc/69/01/98/1413690198.db2.gz CTSLEPAACMHQGP-UHFFFAOYSA-N 1 3 393.963 3.086 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CN1C1CC1 ZINC000120416697 1413813042 /nfs/dbraw/zinc/81/30/42/1413813042.db2.gz RLRFSHKJOPMZBW-WSTZPKSXSA-N 1 3 376.589 3.298 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CN1C1CC1 ZINC000120416697 1413813044 /nfs/dbraw/zinc/81/30/44/1413813044.db2.gz RLRFSHKJOPMZBW-WSTZPKSXSA-N 1 3 376.589 3.298 20 0 GGADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000120713331 1413882762 /nfs/dbraw/zinc/88/27/62/1413882762.db2.gz UWDGZCNGHXXLQF-AVRDEDQJSA-N 1 3 380.536 3.210 20 0 GGADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000177496006 1428769483 /nfs/dbraw/zinc/76/94/83/1428769483.db2.gz JPDFNFFBYADZPG-ROUUACIJSA-N 1 3 391.531 3.366 20 0 GGADHO C[C@H]1CN(CCC2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C[C@H](C)O1 ZINC000177501121 1428771536 /nfs/dbraw/zinc/77/15/36/1428771536.db2.gz VYBMLSJZKHIJOX-ROUUACIJSA-N 1 3 383.536 3.239 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c(OC)c1 ZINC000121109672 1414010962 /nfs/dbraw/zinc/01/09/62/1414010962.db2.gz CGBZBNXGCONCCI-IAGOWNOFSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC000121109672 1414010967 /nfs/dbraw/zinc/01/09/67/1414010967.db2.gz CGBZBNXGCONCCI-IAGOWNOFSA-N 1 3 377.529 3.133 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)C[C@H](C)O1 ZINC000177508496 1428775434 /nfs/dbraw/zinc/77/54/34/1428775434.db2.gz DRCNFVWLRQHSQA-HDICACEKSA-N 1 3 391.531 3.366 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)C(C)(C)C[NH+](C)C ZINC000121245728 1414057113 /nfs/dbraw/zinc/05/71/13/1414057113.db2.gz ULEIIMAXIXTQEM-OAHLLOKOSA-N 1 3 384.515 3.014 20 0 GGADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(CC)C2)cc1 ZINC000121815462 1414266172 /nfs/dbraw/zinc/26/61/72/1414266172.db2.gz SQBVQCVDOZFXLY-ROUUACIJSA-N 1 3 381.586 3.100 20 0 GGADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCCN(CC)C2)cc1 ZINC000121815291 1414266449 /nfs/dbraw/zinc/26/64/49/1414266449.db2.gz SQBVQCVDOZFXLY-ZWKOTPCHSA-N 1 3 381.586 3.100 20 0 GGADHO O=c1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)nc2ccc(Cl)cn12 ZINC000121890389 1414292860 /nfs/dbraw/zinc/29/28/60/1414292860.db2.gz GBCZIEYZMOHMKU-UHFFFAOYSA-N 1 3 388.943 3.436 20 0 GGADHO Cc1ccc(C(=O)NCCNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000177565594 1428796057 /nfs/dbraw/zinc/79/60/57/1428796057.db2.gz LESVHDRZXRYYIV-UHFFFAOYSA-N 1 3 394.563 3.045 20 0 GGADHO C[C@H](C(=O)NCCc1cccs1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122074211 1414355819 /nfs/dbraw/zinc/35/58/19/1414355819.db2.gz UPASBKCHRQWBJO-GOSISDBHSA-N 1 3 377.598 3.383 20 0 GGADHO C[C@@H](C(=O)NCCc1cccs1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122073966 1414355913 /nfs/dbraw/zinc/35/59/13/1414355913.db2.gz UPASBKCHRQWBJO-SFHVURJKSA-N 1 3 377.598 3.383 20 0 GGADHO COCc1c(Cl)cccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122196452 1414385643 /nfs/dbraw/zinc/38/56/43/1414385643.db2.gz NZOLGUJXSXCPIR-UHFFFAOYSA-N 1 3 394.947 3.167 20 0 GGADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1-c1ncco1 ZINC000122225838 1414393973 /nfs/dbraw/zinc/39/39/73/1414393973.db2.gz FMPKIIQOSLBVMF-UHFFFAOYSA-N 1 3 397.523 3.330 20 0 GGADHO Cc1cc(CCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000177629807 1428816575 /nfs/dbraw/zinc/81/65/75/1428816575.db2.gz UNOVIGMQAFOGMF-UHFFFAOYSA-N 1 3 377.598 3.362 20 0 GGADHO CC[NH2+]Cc1cccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c1 ZINC000123077929 1414635091 /nfs/dbraw/zinc/63/50/91/1414635091.db2.gz WIAKXJNHWKHVEL-UHFFFAOYSA-N 1 3 380.536 3.337 20 0 GGADHO CC[NH+](CC)CCSCC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000123267771 1414682898 /nfs/dbraw/zinc/68/28/98/1414682898.db2.gz PZKHCTYBWFVVRK-UHFFFAOYSA-N 1 3 392.613 3.231 20 0 GGADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(CCC[NH+](C)C)CC2)cc1F ZINC000123427426 1414727337 /nfs/dbraw/zinc/72/73/37/1414727337.db2.gz ZFSKEGNLLHHSML-QGZVFWFLSA-N 1 3 393.547 3.235 20 0 GGADHO C[C@H]1CN(CCCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H](C)O1 ZINC000123481666 1414747951 /nfs/dbraw/zinc/74/79/51/1414747951.db2.gz IMZDMBMRHKSNAM-IRXDYDNUSA-N 1 3 387.524 3.114 20 0 GGADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000123633661 1414801367 /nfs/dbraw/zinc/80/13/67/1414801367.db2.gz FOSXUHVDPRLLHJ-KRWDZBQOSA-N 1 3 387.549 3.139 20 0 GGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000123740731 1414818354 /nfs/dbraw/zinc/81/83/54/1414818354.db2.gz IXKRDIQKOGWCSO-YMPZKCBVSA-N 1 3 396.579 3.482 20 0 GGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000123740731 1414818356 /nfs/dbraw/zinc/81/83/56/1414818356.db2.gz IXKRDIQKOGWCSO-YMPZKCBVSA-N 1 3 396.579 3.482 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000123847648 1414833722 /nfs/dbraw/zinc/83/37/22/1414833722.db2.gz QIAZZEOLJXRKSN-UHFFFAOYSA-N 1 3 379.426 3.287 20 0 GGADHO COc1ccc2ccccc2c1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000123853162 1414835684 /nfs/dbraw/zinc/83/56/84/1414835684.db2.gz QRTLNGBUGBUHCA-UHFFFAOYSA-N 1 3 391.515 3.430 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cccc(C(F)(F)F)c2)cc1 ZINC000123867693 1414838911 /nfs/dbraw/zinc/83/89/11/1414838911.db2.gz HUDSKEZNYGAGRB-UHFFFAOYSA-N 1 3 379.426 3.287 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000177749853 1428849371 /nfs/dbraw/zinc/84/93/71/1428849371.db2.gz JWWCRKAAXZSSJL-HDICACEKSA-N 1 3 383.577 3.113 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000177749887 1428849525 /nfs/dbraw/zinc/84/95/25/1428849525.db2.gz JWWCRKAAXZSSJL-QZTJIDSGSA-N 1 3 383.577 3.113 20 0 GGADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000125671451 1415250850 /nfs/dbraw/zinc/25/08/50/1415250850.db2.gz DWTWRAOBNHSKMH-HXUWFJFHSA-N 1 3 394.510 3.274 20 0 GGADHO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000125670337 1415250969 /nfs/dbraw/zinc/25/09/69/1415250969.db2.gz FXKLMANBXCGQDD-VQTJNVASSA-N 1 3 398.595 3.441 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000125672824 1415251437 /nfs/dbraw/zinc/25/14/37/1415251437.db2.gz FTHAOPYGOMINME-NZQKXSOJSA-N 1 3 398.595 3.256 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000125720831 1415262441 /nfs/dbraw/zinc/26/24/41/1415262441.db2.gz QTQHQPWZCKRKPU-DLBZAZTESA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000125720831 1415262449 /nfs/dbraw/zinc/26/24/49/1415262449.db2.gz QTQHQPWZCKRKPU-DLBZAZTESA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000125720831 1415262455 /nfs/dbraw/zinc/26/24/55/1415262455.db2.gz QTQHQPWZCKRKPU-DLBZAZTESA-N 1 3 377.529 3.131 20 0 GGADHO C[NH+]1CCN(c2cc(CNCc3cc(Br)ccc3F)ccn2)CC1 ZINC000126054254 1415346381 /nfs/dbraw/zinc/34/63/81/1415346381.db2.gz MPCUGPXAXIOSGO-UHFFFAOYSA-N 1 3 393.304 3.025 20 0 GGADHO O=C(COc1ccc(CCNC2CC[NH+](C3CCCCC3)CC2)cc1)NC1CC1 ZINC000126131146 1415366407 /nfs/dbraw/zinc/36/64/07/1415366407.db2.gz JLCFBRRFUJMMQU-UHFFFAOYSA-N 1 3 399.579 3.273 20 0 GGADHO O=C(COc1ccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)cc1)NC1CC1 ZINC000126131146 1415366409 /nfs/dbraw/zinc/36/64/09/1415366409.db2.gz JLCFBRRFUJMMQU-UHFFFAOYSA-N 1 3 399.579 3.273 20 0 GGADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000126679384 1415524479 /nfs/dbraw/zinc/52/44/79/1415524479.db2.gz KCBSBUSRYJRTBA-QFIPXVFZSA-N 1 3 395.547 3.446 20 0 GGADHO CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(CCO)CC1)CCCO2 ZINC000126692522 1415527902 /nfs/dbraw/zinc/52/79/02/1415527902.db2.gz LMYSXKKUEJJISW-JOCHJYFZSA-N 1 3 389.584 3.003 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000126713592 1415536040 /nfs/dbraw/zinc/53/60/40/1415536040.db2.gz SFSYULYRQDDOOU-CLYVBNDRSA-N 1 3 385.577 3.022 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000126717023 1415536998 /nfs/dbraw/zinc/53/69/98/1415536998.db2.gz HWCVEUNVUYKKOS-FQEVSTJZSA-N 1 3 389.547 3.471 20 0 GGADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000178036378 1428948665 /nfs/dbraw/zinc/94/86/65/1428948665.db2.gz OZZJFINVIPSFRR-QRVBRYPASA-N 1 3 375.557 3.500 20 0 GGADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c2cccs2)CC1 ZINC000126776049 1415555564 /nfs/dbraw/zinc/55/55/64/1415555564.db2.gz QSHGJCBEVXYOGH-IEBWSBKVSA-N 1 3 390.597 3.305 20 0 GGADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c2cccs2)CC1 ZINC000126776049 1415555571 /nfs/dbraw/zinc/55/55/71/1415555571.db2.gz QSHGJCBEVXYOGH-IEBWSBKVSA-N 1 3 390.597 3.305 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000126797462 1415562676 /nfs/dbraw/zinc/56/26/76/1415562676.db2.gz GMWZQOVCKWKRBH-OAQYLSRUSA-N 1 3 398.551 3.058 20 0 GGADHO COc1cc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000178036158 1428949068 /nfs/dbraw/zinc/94/90/68/1428949068.db2.gz OYSQPOJWUVQUHL-BBWFWOEESA-N 1 3 380.529 3.252 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000178036907 1428949393 /nfs/dbraw/zinc/94/93/93/1428949393.db2.gz QSWMBUKASPVDLH-WOJBJXKFSA-N 1 3 391.575 3.312 20 0 GGADHO C[C@H]1CN(CCCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[C@H](C)O1 ZINC000178040325 1428951839 /nfs/dbraw/zinc/95/18/39/1428951839.db2.gz CBJCPHSEMQKKBR-MDECGGOYSA-N 1 3 385.552 3.298 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCC(C)(C)C3CCCCC3)CC2)CC1 ZINC000127355576 1415750160 /nfs/dbraw/zinc/75/01/60/1415750160.db2.gz XAZJSFCSQZYFCF-UHFFFAOYSA-N 1 3 378.605 3.451 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3C(F)(F)F)CC2)CC1 ZINC000127473295 1415792728 /nfs/dbraw/zinc/79/27/28/1415792728.db2.gz FNDPVEFNWFCVRU-UHFFFAOYSA-N 1 3 384.446 3.386 20 0 GGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127749157 1415843609 /nfs/dbraw/zinc/84/36/09/1415843609.db2.gz CMBGZQKEVWIWOM-AKIFATBCSA-N 1 3 396.579 3.482 20 0 GGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127749157 1415843613 /nfs/dbraw/zinc/84/36/13/1415843613.db2.gz CMBGZQKEVWIWOM-AKIFATBCSA-N 1 3 396.579 3.482 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CN1C1CC1 ZINC000127969284 1415885327 /nfs/dbraw/zinc/88/53/27/1415885327.db2.gz CDZYEZWESHVYKM-GHTZIAJQSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CN1C1CC1 ZINC000127969284 1415885331 /nfs/dbraw/zinc/88/53/31/1415885331.db2.gz CDZYEZWESHVYKM-GHTZIAJQSA-N 1 3 384.568 3.165 20 0 GGADHO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000128140976 1415922670 /nfs/dbraw/zinc/92/26/70/1415922670.db2.gz MQXKQLFEANYXEP-YJBOKZPZSA-N 1 3 386.565 3.357 20 0 GGADHO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C[C@H](C)O1 ZINC000178259188 1429035984 /nfs/dbraw/zinc/03/59/84/1429035984.db2.gz SQDXTQVDGRSFTN-OALUTQOASA-N 1 3 387.568 3.100 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC000128662570 1416036813 /nfs/dbraw/zinc/03/68/13/1416036813.db2.gz AMBKKDPQGFCYPX-APWZRJJASA-N 1 3 377.529 3.131 20 0 GGADHO C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000178296870 1429045237 /nfs/dbraw/zinc/04/52/37/1429045237.db2.gz NVPYOARXKMBUSG-QGZVFWFLSA-N 1 3 390.549 3.022 20 0 GGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000130217839 1416341133 /nfs/dbraw/zinc/34/11/33/1416341133.db2.gz QGAXWCWTBBPBEH-IAGOWNOFSA-N 1 3 378.586 3.227 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000130255053 1416347133 /nfs/dbraw/zinc/34/71/33/1416347133.db2.gz BHRYCJULUIGJSK-BAYUQKDNSA-N 1 3 384.568 3.306 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000130255053 1416347136 /nfs/dbraw/zinc/34/71/36/1416347136.db2.gz BHRYCJULUIGJSK-BAYUQKDNSA-N 1 3 384.568 3.306 20 0 GGADHO c1cc(COc2ccc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)cc2)ccn1 ZINC000130402776 1416372211 /nfs/dbraw/zinc/37/22/11/1416372211.db2.gz IUPBSVACPUPRBO-OAQYLSRUSA-N 1 3 381.520 3.251 20 0 GGADHO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1OC(F)F ZINC000130532016 1416394596 /nfs/dbraw/zinc/39/45/96/1416394596.db2.gz ZNCOLLVLJZOCFB-AWEZNQCLSA-N 1 3 394.441 3.425 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(F)cc1OC(F)F ZINC000130532016 1416394600 /nfs/dbraw/zinc/39/46/00/1416394600.db2.gz ZNCOLLVLJZOCFB-AWEZNQCLSA-N 1 3 394.441 3.425 20 0 GGADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C[NH+]1CCCC1 ZINC000130693382 1416426321 /nfs/dbraw/zinc/42/63/21/1416426321.db2.gz QAKIIWLGTFKZKE-GOSISDBHSA-N 1 3 390.597 3.131 20 0 GGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000130790620 1416451675 /nfs/dbraw/zinc/45/16/75/1416451675.db2.gz IGPMNGLSIHECMJ-LJQANCHMSA-N 1 3 392.563 3.267 20 0 GGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000130790620 1416451687 /nfs/dbraw/zinc/45/16/87/1416451687.db2.gz IGPMNGLSIHECMJ-LJQANCHMSA-N 1 3 392.563 3.267 20 0 GGADHO CN(C)CCN(Cc1ccco1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000131183515 1416520462 /nfs/dbraw/zinc/52/04/62/1416520462.db2.gz WBISVDTVQSKYJP-UHFFFAOYSA-N 1 3 376.545 3.150 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000131557500 1416576100 /nfs/dbraw/zinc/57/61/00/1416576100.db2.gz NUOQMBLRYFXRJY-GOSISDBHSA-N 1 3 395.551 3.168 20 0 GGADHO C[C@H]1CCC[C@](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)([NH+](C)C)C1 ZINC000131766044 1416615629 /nfs/dbraw/zinc/61/56/29/1416615629.db2.gz RXSRRAZKOQOWQU-AVRDEDQJSA-N 1 3 390.572 3.396 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000131942142 1416656263 /nfs/dbraw/zinc/65/62/63/1416656263.db2.gz HWGRIBIQKDYBLH-GOSISDBHSA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000132166720 1416710853 /nfs/dbraw/zinc/71/08/53/1416710853.db2.gz GYLMHLJJUUMEHH-KRWDZBQOSA-N 1 3 381.586 3.100 20 0 GGADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000132708445 1416806585 /nfs/dbraw/zinc/80/65/85/1416806585.db2.gz YVVTVJZONXPDJN-QGZVFWFLSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000132861325 1416824419 /nfs/dbraw/zinc/82/44/19/1416824419.db2.gz NVEFXRXRTFUFDA-FHWLQOOXSA-N 1 3 387.572 3.027 20 0 GGADHO C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000132861325 1416824420 /nfs/dbraw/zinc/82/44/20/1416824420.db2.gz NVEFXRXRTFUFDA-FHWLQOOXSA-N 1 3 387.572 3.027 20 0 GGADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000132882490 1416826863 /nfs/dbraw/zinc/82/68/63/1416826863.db2.gz SCOFXRYFAZLNQF-RTBURBONSA-N 1 3 398.551 3.151 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000132928806 1416832303 /nfs/dbraw/zinc/83/23/03/1416832303.db2.gz WWADCTKYJLGFRD-YLJYHZDGSA-N 1 3 389.588 3.273 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000133422727 1416888451 /nfs/dbraw/zinc/88/84/51/1416888451.db2.gz ZFMQNMWOPPYGFW-PGRDOPGGSA-N 1 3 399.583 3.171 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000133422727 1416888453 /nfs/dbraw/zinc/88/84/53/1416888453.db2.gz ZFMQNMWOPPYGFW-PGRDOPGGSA-N 1 3 399.583 3.171 20 0 GGADHO COCCCN1CCC([NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000133730974 1416952801 /nfs/dbraw/zinc/95/28/01/1416952801.db2.gz JWHAQZFXOPYMBU-UHFFFAOYSA-N 1 3 386.492 3.324 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000133831436 1416971635 /nfs/dbraw/zinc/97/16/35/1416971635.db2.gz WPOCNBQBNWTUTD-RBUKOAKNSA-N 1 3 387.572 3.028 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000133834382 1416972529 /nfs/dbraw/zinc/97/25/29/1416972529.db2.gz ZHBRPRWXHFPQSG-IRLDBZIGSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000133834382 1416972533 /nfs/dbraw/zinc/97/25/33/1416972533.db2.gz ZHBRPRWXHFPQSG-IRLDBZIGSA-N 1 3 386.584 3.270 20 0 GGADHO C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000133883234 1416987907 /nfs/dbraw/zinc/98/79/07/1416987907.db2.gz NSDYFFLTWULFOZ-OALUTQOASA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000133883797 1416987985 /nfs/dbraw/zinc/98/79/85/1416987985.db2.gz NSDYFFLTWULFOZ-RTBURBONSA-N 1 3 387.572 3.027 20 0 GGADHO CN(C)Cc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1F ZINC000134481739 1417075076 /nfs/dbraw/zinc/07/50/76/1417075076.db2.gz NDRCQCHRBKLXAC-LJQANCHMSA-N 1 3 388.487 3.117 20 0 GGADHO CS[C@H]1CCCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000134561168 1417087528 /nfs/dbraw/zinc/08/75/28/1417087528.db2.gz GBKMLCSPUTYFBC-FQEVSTJZSA-N 1 3 375.582 3.116 20 0 GGADHO O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134879441 1417138737 /nfs/dbraw/zinc/13/87/37/1417138737.db2.gz JYCPHTHWAFMFGY-NZRJUOQRSA-N 1 3 384.564 3.390 20 0 GGADHO O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134879441 1417138742 /nfs/dbraw/zinc/13/87/42/1417138742.db2.gz JYCPHTHWAFMFGY-NZRJUOQRSA-N 1 3 384.564 3.390 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000136047533 1417288550 /nfs/dbraw/zinc/28/85/50/1417288550.db2.gz OWUAPLPSCRBBPZ-CQSZACIVSA-N 1 3 388.781 3.466 20 0 GGADHO CN(C)Cc1ccc(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)cc1F ZINC000136083297 1417290663 /nfs/dbraw/zinc/29/06/63/1417290663.db2.gz LRXFQZNPFDDYIW-UHFFFAOYSA-N 1 3 399.510 3.178 20 0 GGADHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000136586945 1417330089 /nfs/dbraw/zinc/33/00/89/1417330089.db2.gz SQHBBTAVMDWGIQ-OALUTQOASA-N 1 3 386.458 3.485 20 0 GGADHO CCN1CCCC[C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000136694656 1417339261 /nfs/dbraw/zinc/33/92/61/1417339261.db2.gz AWGPEQBRXRUHLJ-HXUWFJFHSA-N 1 3 393.959 3.174 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000178808630 1429177076 /nfs/dbraw/zinc/17/70/76/1429177076.db2.gz JPLHBMJIIARBMC-LJQANCHMSA-N 1 3 399.583 3.267 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000178808630 1429177082 /nfs/dbraw/zinc/17/70/82/1429177082.db2.gz JPLHBMJIIARBMC-LJQANCHMSA-N 1 3 399.583 3.267 20 0 GGADHO C[C@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[NH+]1CCCCC1 ZINC000139912422 1417479868 /nfs/dbraw/zinc/47/98/68/1417479868.db2.gz OMYLXWNLZPGNIF-GOSISDBHSA-N 1 3 390.597 3.274 20 0 GGADHO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000139919457 1417480880 /nfs/dbraw/zinc/48/08/80/1417480880.db2.gz BZCWJKASKLOYQP-KRWDZBQOSA-N 1 3 378.586 3.130 20 0 GGADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000142715957 1417595525 /nfs/dbraw/zinc/59/55/25/1417595525.db2.gz TXCPVBYGPGCFDA-QGZVFWFLSA-N 1 3 383.492 3.434 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000150736824 1417794761 /nfs/dbraw/zinc/79/47/61/1417794761.db2.gz KHQKDOJTWLBODI-IRLDBZIGSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000150736824 1417794765 /nfs/dbraw/zinc/79/47/65/1417794765.db2.gz KHQKDOJTWLBODI-IRLDBZIGSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000150746039 1417796309 /nfs/dbraw/zinc/79/63/09/1417796309.db2.gz IXESIPMKEDIQKN-GOSISDBHSA-N 1 3 396.526 3.016 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000150746039 1417796319 /nfs/dbraw/zinc/79/63/19/1417796319.db2.gz IXESIPMKEDIQKN-GOSISDBHSA-N 1 3 396.526 3.016 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000150762563 1417802041 /nfs/dbraw/zinc/80/20/41/1417802041.db2.gz SRHNTUGMGOOWOT-IBGZPJMESA-N 1 3 394.991 3.391 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000150762563 1417802042 /nfs/dbraw/zinc/80/20/42/1417802042.db2.gz SRHNTUGMGOOWOT-IBGZPJMESA-N 1 3 394.991 3.391 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000151005714 1417854020 /nfs/dbraw/zinc/85/40/20/1417854020.db2.gz ZJILQSRISMNNPZ-OAQYLSRUSA-N 1 3 384.568 3.267 20 0 GGADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000151139209 1417880392 /nfs/dbraw/zinc/88/03/92/1417880392.db2.gz GMEBMHQXJIPTJP-GOSISDBHSA-N 1 3 382.552 3.442 20 0 GGADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000151139209 1417880395 /nfs/dbraw/zinc/88/03/95/1417880395.db2.gz GMEBMHQXJIPTJP-GOSISDBHSA-N 1 3 382.552 3.442 20 0 GGADHO CCN(CC)C(=O)Nc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000151354382 1417934211 /nfs/dbraw/zinc/93/42/11/1417934211.db2.gz BCVGQFHCBKJUNU-KRWDZBQOSA-N 1 3 376.545 3.058 20 0 GGADHO COc1ccc(C[C@@H](NCCC[NH+]2CCC(O)CC2)c2ccc(OC)cc2)cc1 ZINC000151363798 1417937157 /nfs/dbraw/zinc/93/71/57/1417937157.db2.gz QOSDDELKVYBRQS-XMMPIXPASA-N 1 3 398.547 3.424 20 0 GGADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(F)c4cccnc34)cc2)CC1 ZINC000151399492 1417949678 /nfs/dbraw/zinc/94/96/78/1417949678.db2.gz QSMHWZGKRMUIPT-UHFFFAOYSA-N 1 3 378.495 3.411 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3Cl)CC2)CC1 ZINC000151435426 1417967138 /nfs/dbraw/zinc/96/71/38/1417967138.db2.gz PWHNREKAXVZBQC-IRXDYDNUSA-N 1 3 393.934 3.257 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3Cl)CC2)CC1 ZINC000151435551 1417967296 /nfs/dbraw/zinc/96/72/96/1417967296.db2.gz PWHNREKAXVZBQC-SJORKVTESA-N 1 3 393.934 3.257 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3Cl)CC2)CC1 ZINC000151435486 1417967676 /nfs/dbraw/zinc/96/76/76/1417967676.db2.gz PWHNREKAXVZBQC-IAGOWNOFSA-N 1 3 393.934 3.257 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000152071974 1418137646 /nfs/dbraw/zinc/13/76/46/1418137646.db2.gz GQYBVWUZETWVKM-OALUTQOASA-N 1 3 387.572 3.027 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000152071974 1418137654 /nfs/dbraw/zinc/13/76/54/1418137654.db2.gz GQYBVWUZETWVKM-OALUTQOASA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H](C(=O)NCc1ccccc1F)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391753 1429356101 /nfs/dbraw/zinc/35/61/01/1429356101.db2.gz RWDNENSKUNTWOU-GOSISDBHSA-N 1 3 398.526 3.464 20 0 GGADHO C[C@H](C(=O)NCc1ccc(F)cc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179392437 1429356261 /nfs/dbraw/zinc/35/62/61/1429356261.db2.gz UODYUCODAWEFRK-GOSISDBHSA-N 1 3 398.526 3.464 20 0 GGADHO CC(C)n1nccc1NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393239 1429356805 /nfs/dbraw/zinc/35/68/05/1429356805.db2.gz YZJXIBQACGNLFF-SFHVURJKSA-N 1 3 398.555 3.425 20 0 GGADHO Cc1nccn1-c1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000179509928 1429402566 /nfs/dbraw/zinc/40/25/66/1429402566.db2.gz ZURWFJYSONCPPZ-KRWDZBQOSA-N 1 3 379.508 3.367 20 0 GGADHO CC[NH+]1CCC(NC(=O)CN(CCc2cccc(F)c2)C2CCCC2)CC1 ZINC000152615545 1422166377 /nfs/dbraw/zinc/16/63/77/1422166377.db2.gz FMEFTLCBIKRTRI-UHFFFAOYSA-N 1 3 375.532 3.213 20 0 GGADHO CN(C)CCN(Cc1ccco1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000153997043 1422822776 /nfs/dbraw/zinc/82/27/76/1422822776.db2.gz CCHYPVMOIZRVPI-UHFFFAOYSA-N 1 3 384.524 3.149 20 0 GGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000154089647 1422839154 /nfs/dbraw/zinc/83/91/54/1422839154.db2.gz BPAPXLZQKJFJCQ-GOSISDBHSA-N 1 3 376.545 3.150 20 0 GGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000154089647 1422839156 /nfs/dbraw/zinc/83/91/56/1422839156.db2.gz BPAPXLZQKJFJCQ-GOSISDBHSA-N 1 3 376.545 3.150 20 0 GGADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000154218576 1422857261 /nfs/dbraw/zinc/85/72/61/1422857261.db2.gz DOAGHWFUIRRWJD-LJQANCHMSA-N 1 3 389.588 3.239 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4cccc(Cl)c4)CC3)CC2)CC1 ZINC000154332454 1422873902 /nfs/dbraw/zinc/87/39/02/1422873902.db2.gz MHQIOLVRASRYSH-UHFFFAOYSA-N 1 3 390.959 3.187 20 0 GGADHO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000154381746 1422881202 /nfs/dbraw/zinc/88/12/02/1422881202.db2.gz DVRRYKYDTFFJKM-QHCPKHFHSA-N 1 3 392.547 3.421 20 0 GGADHO C[C@H]1C[NH+](CC2CCN(Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000179884285 1429624433 /nfs/dbraw/zinc/62/44/33/1429624433.db2.gz YFUHJZKMZGYSOE-IRXDYDNUSA-N 1 3 388.581 3.470 20 0 GGADHO C[S@](=O)c1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000155541062 1423409095 /nfs/dbraw/zinc/40/90/95/1423409095.db2.gz SJGVBFAEQSJWLP-MUUNZHRXSA-N 1 3 399.604 3.112 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000155619330 1423450247 /nfs/dbraw/zinc/45/02/47/1423450247.db2.gz CGVUYZOKSYEPQE-QUCCMNQESA-N 1 3 384.568 3.378 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000155619330 1423450257 /nfs/dbraw/zinc/45/02/57/1423450257.db2.gz CGVUYZOKSYEPQE-QUCCMNQESA-N 1 3 384.568 3.378 20 0 GGADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000155676479 1423481567 /nfs/dbraw/zinc/48/15/67/1423481567.db2.gz OTJKIHMWAFCMSN-OAQYLSRUSA-N 1 3 393.531 3.466 20 0 GGADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000155770770 1423526568 /nfs/dbraw/zinc/52/65/68/1423526568.db2.gz CQAAFFKVPDFJIO-LJQANCHMSA-N 1 3 387.568 3.267 20 0 GGADHO Cc1ccc(S(=O)(=O)N2CCC(NCCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC000155822965 1423549103 /nfs/dbraw/zinc/54/91/03/1423549103.db2.gz FMZQGKLMCRWLMP-UHFFFAOYSA-N 1 3 395.613 3.247 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC2)CC1 ZINC000156011153 1423632407 /nfs/dbraw/zinc/63/24/07/1423632407.db2.gz IPZJJSDPVGYAQF-MRXNPFEDSA-N 1 3 392.510 3.211 20 0 GGADHO CN(C)Cc1cccc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000156409476 1423806877 /nfs/dbraw/zinc/80/68/77/1423806877.db2.gz NTJGWSLRUAIKMV-UHFFFAOYSA-N 1 3 375.582 3.230 20 0 GGADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156791804 1423865882 /nfs/dbraw/zinc/86/58/82/1423865882.db2.gz WOWMRZDZTQQHJO-YADHBBJMSA-N 1 3 384.568 3.311 20 0 GGADHO C[C@@H]1Cc2ccccc2[C@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156911794 1423884971 /nfs/dbraw/zinc/88/49/71/1423884971.db2.gz FWVLCBNMXSOIPA-FHZYATBESA-N 1 3 377.532 3.407 20 0 GGADHO C[C@@H]1Cc2ccccc2[C@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156911794 1423884974 /nfs/dbraw/zinc/88/49/74/1423884974.db2.gz FWVLCBNMXSOIPA-FHZYATBESA-N 1 3 377.532 3.407 20 0 GGADHO COc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156949439 1423892061 /nfs/dbraw/zinc/89/20/61/1423892061.db2.gz CNPAHJPERKAYOI-UWJYYQICSA-N 1 3 381.520 3.243 20 0 GGADHO COc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156949439 1423892068 /nfs/dbraw/zinc/89/20/68/1423892068.db2.gz CNPAHJPERKAYOI-UWJYYQICSA-N 1 3 381.520 3.243 20 0 GGADHO C[C@H]1C[C@H]([N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 ZINC000157067816 1423916013 /nfs/dbraw/zinc/91/60/13/1423916013.db2.gz ZYKKUEUYROBXJD-CGTJXYLNSA-N 1 3 383.458 3.135 20 0 GGADHO C[C@H]1C[C@H]([N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 ZINC000157067816 1423916020 /nfs/dbraw/zinc/91/60/20/1423916020.db2.gz ZYKKUEUYROBXJD-CGTJXYLNSA-N 1 3 383.458 3.135 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CSc3nccc4ccccc43)CC2)CC1 ZINC000157138532 1423934365 /nfs/dbraw/zinc/93/43/65/1423934365.db2.gz MFPBWDXZQHFDNX-UHFFFAOYSA-N 1 3 398.576 3.002 20 0 GGADHO Cc1ccccc1CN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000157163162 1423942095 /nfs/dbraw/zinc/94/20/95/1423942095.db2.gz DSAQAHBCPOZICZ-SFHVURJKSA-N 1 3 389.565 3.076 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)c1ccsc1 ZINC000157263687 1423969606 /nfs/dbraw/zinc/96/96/06/1423969606.db2.gz PYFGZILLVMIYHF-RBUKOAKNSA-N 1 3 381.586 3.040 20 0 GGADHO CC(C)CS(=O)(=O)N1CCC([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000180015485 1429693022 /nfs/dbraw/zinc/69/30/22/1429693022.db2.gz ZAPBXPWBZGDIFG-GHTZIAJQSA-N 1 3 399.645 3.069 20 0 GGADHO C[C@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000157715255 1424072852 /nfs/dbraw/zinc/07/28/52/1424072852.db2.gz FFOLKXOEUMJCIK-OALUTQOASA-N 1 3 398.551 3.098 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)c3cccc(Cl)c3)CC2)CC1 ZINC000158198278 1424192475 /nfs/dbraw/zinc/19/24/75/1424192475.db2.gz MEEVFCDXNYWFPT-UHFFFAOYSA-N 1 3 392.975 3.433 20 0 GGADHO CN1CCN(c2ncccc2C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000158496667 1424272549 /nfs/dbraw/zinc/27/25/49/1424272549.db2.gz KQBKPNRDEXWVBZ-HXUWFJFHSA-N 1 3 378.520 3.370 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000158582777 1424295927 /nfs/dbraw/zinc/29/59/27/1424295927.db2.gz ZELZFCBMNMDLBK-SFHVURJKSA-N 1 3 378.586 3.449 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000158707186 1424323534 /nfs/dbraw/zinc/32/35/34/1424323534.db2.gz YZOAIINUGNUWAA-UHFFFAOYSA-N 1 3 378.536 3.163 20 0 GGADHO C[NH+](C)CCN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000159186315 1424438890 /nfs/dbraw/zinc/43/88/90/1424438890.db2.gz MOCLIIBQZYXSFO-SFHVURJKSA-N 1 3 378.586 3.401 20 0 GGADHO O=C(NCCNC1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000162365633 1424842060 /nfs/dbraw/zinc/84/20/60/1424842060.db2.gz ZCHDJDRRNAFJON-UHFFFAOYSA-N 1 3 385.939 3.367 20 0 GGADHO Cc1cccc2c(CCC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c[nH]c21 ZINC000162473542 1424856918 /nfs/dbraw/zinc/85/69/18/1424856918.db2.gz YRJGGBOBICMDGB-UHFFFAOYSA-N 1 3 382.552 3.084 20 0 GGADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCOC2=O)cc1 ZINC000162543112 1424864397 /nfs/dbraw/zinc/86/43/97/1424864397.db2.gz LBERKZJJZHDQAV-KRWDZBQOSA-N 1 3 383.492 3.434 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@H](C)C1 ZINC000163031839 1424926908 /nfs/dbraw/zinc/92/69/08/1424926908.db2.gz IYHOWYQCUGFXIR-RTWAWAEBSA-N 1 3 397.673 3.465 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@H](C)C1 ZINC000163031952 1424927077 /nfs/dbraw/zinc/92/70/77/1424927077.db2.gz IYHOWYQCUGFXIR-NHCUHLMSSA-N 1 3 397.673 3.465 20 0 GGADHO C[C@@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163671147 1425031699 /nfs/dbraw/zinc/03/16/99/1425031699.db2.gz DFRWSBCLDBRZQZ-YKSBVNFPSA-N 1 3 397.563 3.351 20 0 GGADHO c1ccc(CC[NH+]2CCC(NCc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000163704803 1425036121 /nfs/dbraw/zinc/03/61/21/1425036121.db2.gz VIVKAKQECZVUSO-UHFFFAOYSA-N 1 3 393.575 3.316 20 0 GGADHO CCCN1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC1 ZINC000163995592 1425066764 /nfs/dbraw/zinc/06/67/64/1425066764.db2.gz PWBIDICMKGWQLH-SFHVURJKSA-N 1 3 393.597 3.071 20 0 GGADHO CCCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000164444779 1425113175 /nfs/dbraw/zinc/11/31/75/1425113175.db2.gz VHJOMIRBERPJQY-INIZCTEOSA-N 1 3 377.529 3.275 20 0 GGADHO CCCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000164444923 1425113509 /nfs/dbraw/zinc/11/35/09/1425113509.db2.gz VHJOMIRBERPJQY-MRXNPFEDSA-N 1 3 377.529 3.275 20 0 GGADHO CCCCN1CCC([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000164464641 1425114552 /nfs/dbraw/zinc/11/45/52/1425114552.db2.gz BUAHNUWMTBYUNG-KRWDZBQOSA-N 1 3 379.570 3.142 20 0 GGADHO O=C(c1ccoc1)N1CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000165297606 1425174559 /nfs/dbraw/zinc/17/45/59/1425174559.db2.gz QFWIPKSDYZPZJO-FQEVSTJZSA-N 1 3 381.520 3.038 20 0 GGADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165338616 1425175080 /nfs/dbraw/zinc/17/50/80/1425175080.db2.gz OYWDBGIAYFVFTE-VTZPFEBOSA-N 1 3 392.591 3.446 20 0 GGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000165587099 1425186204 /nfs/dbraw/zinc/18/62/04/1425186204.db2.gz FYHOVVDUMSIGBQ-GJYPPUQNSA-N 1 3 398.517 3.276 20 0 GGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000165587099 1425186209 /nfs/dbraw/zinc/18/62/09/1425186209.db2.gz FYHOVVDUMSIGBQ-GJYPPUQNSA-N 1 3 398.517 3.276 20 0 GGADHO C[C@@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC[N@@H+]1C ZINC000165579377 1425186676 /nfs/dbraw/zinc/18/66/76/1425186676.db2.gz HRFHGQVQMILADD-CRAIPNDOSA-N 1 3 384.490 3.030 20 0 GGADHO C[C@@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC[N@H+]1C ZINC000165579377 1425186677 /nfs/dbraw/zinc/18/66/77/1425186677.db2.gz HRFHGQVQMILADD-CRAIPNDOSA-N 1 3 384.490 3.030 20 0 GGADHO C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CN1C1CC1 ZINC000165597111 1425187194 /nfs/dbraw/zinc/18/71/94/1425187194.db2.gz SHEVDVRMPAJPNZ-YJBOKZPZSA-N 1 3 396.501 3.172 20 0 GGADHO Clc1ccccc1N1CCN(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166317763 1425210943 /nfs/dbraw/zinc/21/09/43/1425210943.db2.gz NYFLIZYQNZQXTQ-RBUKOAKNSA-N 1 3 376.976 3.069 20 0 GGADHO Clc1ccccc1N1CCN(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166317763 1425210947 /nfs/dbraw/zinc/21/09/47/1425210947.db2.gz NYFLIZYQNZQXTQ-RBUKOAKNSA-N 1 3 376.976 3.069 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(OC(F)F)c(F)c2)cc1 ZINC000168362803 1425236879 /nfs/dbraw/zinc/23/68/79/1425236879.db2.gz JJDAEIUHHUKHOG-UHFFFAOYSA-N 1 3 395.425 3.008 20 0 GGADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000168929214 1425241352 /nfs/dbraw/zinc/24/13/52/1425241352.db2.gz XUARKGIMQQBWIX-NRFANRHFSA-N 1 3 379.976 3.087 20 0 GGADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000168929125 1425241412 /nfs/dbraw/zinc/24/14/12/1425241412.db2.gz XUARKGIMQQBWIX-OAQYLSRUSA-N 1 3 379.976 3.087 20 0 GGADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000171138943 1425502694 /nfs/dbraw/zinc/50/26/94/1425502694.db2.gz UJGWBICMWMUFKG-NRFANRHFSA-N 1 3 380.536 3.434 20 0 GGADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000171138943 1425502703 /nfs/dbraw/zinc/50/27/03/1425502703.db2.gz UJGWBICMWMUFKG-NRFANRHFSA-N 1 3 380.536 3.434 20 0 GGADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000171304579 1425605873 /nfs/dbraw/zinc/60/58/73/1425605873.db2.gz IGGPOXUIFIBKLY-CALCHBBNSA-N 1 3 393.959 3.490 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccccc3F)C3CC3)CC2)CC1 ZINC000171323032 1425616775 /nfs/dbraw/zinc/61/67/75/1425616775.db2.gz AHHNPDGBMYFXLA-UHFFFAOYSA-N 1 3 388.531 3.058 20 0 GGADHO Cc1cccc(N2CC[NH+](CCCCNCc3cn4ccccc4n3)CC2)c1 ZINC000171379307 1425649628 /nfs/dbraw/zinc/64/96/28/1425649628.db2.gz YKUGVWLJIZLCMI-UHFFFAOYSA-N 1 3 377.536 3.335 20 0 GGADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cn4ccccc4n3)CC2)c1 ZINC000171379307 1425649635 /nfs/dbraw/zinc/64/96/35/1425649635.db2.gz YKUGVWLJIZLCMI-UHFFFAOYSA-N 1 3 377.536 3.335 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccsc1 ZINC000171620332 1425760382 /nfs/dbraw/zinc/76/03/82/1425760382.db2.gz HJLYNEHWQLBVGU-RTBURBONSA-N 1 3 378.586 3.401 20 0 GGADHO CN(CCc1ccc(Cl)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000172148549 1425919952 /nfs/dbraw/zinc/91/99/52/1425919952.db2.gz RAEUHSXIESUZDA-UHFFFAOYSA-N 1 3 392.975 3.083 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172542610 1426080326 /nfs/dbraw/zinc/08/03/26/1426080326.db2.gz NZLGMTBRLAHLBO-UHFFFAOYSA-N 1 3 384.568 3.095 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172542610 1426080329 /nfs/dbraw/zinc/08/03/29/1426080329.db2.gz NZLGMTBRLAHLBO-UHFFFAOYSA-N 1 3 384.568 3.095 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172694749 1426147221 /nfs/dbraw/zinc/14/72/21/1426147221.db2.gz ISNSWGOCIZZTDV-LJQANCHMSA-N 1 3 384.568 3.167 20 0 GGADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)(N2CCCCC2)CC1 ZINC000172749734 1426172902 /nfs/dbraw/zinc/17/29/02/1426172902.db2.gz WSSIVUILFHSBER-OALUTQOASA-N 1 3 391.506 3.135 20 0 GGADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)(N2CCCCC2)CC1 ZINC000172749727 1426172932 /nfs/dbraw/zinc/17/29/32/1426172932.db2.gz WSSIVUILFHSBER-MOPGFXCFSA-N 1 3 391.506 3.135 20 0 GGADHO C[C@H](CCc1cccc(F)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000172929705 1426269625 /nfs/dbraw/zinc/26/96/25/1426269625.db2.gz KWHVPBCDZFQYNB-QGZVFWFLSA-N 1 3 375.532 3.069 20 0 GGADHO CN(C)[C@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000173323579 1426505833 /nfs/dbraw/zinc/50/58/33/1426505833.db2.gz GZKORVOZBUCXRA-JTHBVZDNSA-N 1 3 394.563 3.453 20 0 GGADHO CN(C)[C@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000173323579 1426505845 /nfs/dbraw/zinc/50/58/45/1426505845.db2.gz GZKORVOZBUCXRA-JTHBVZDNSA-N 1 3 394.563 3.453 20 0 GGADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000173367721 1426540679 /nfs/dbraw/zinc/54/06/79/1426540679.db2.gz UCUBENFNVWSLRK-UHFFFAOYSA-N 1 3 397.947 3.492 20 0 GGADHO CCC[N@H+](C)C[C@@H]1CCN(Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000173446037 1426625675 /nfs/dbraw/zinc/62/56/75/1426625675.db2.gz INCRHTVDXMADGM-HNNXBMFYSA-N 1 3 392.341 3.385 20 0 GGADHO CCC[N@@H+](C)C[C@@H]1CCN(Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000173446037 1426625682 /nfs/dbraw/zinc/62/56/82/1426625682.db2.gz INCRHTVDXMADGM-HNNXBMFYSA-N 1 3 392.341 3.385 20 0 GGADHO C[C@H]([NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCOCC1)c1ccccc1 ZINC000173570899 1426738328 /nfs/dbraw/zinc/73/83/28/1426738328.db2.gz VLWMVKSIKDOLFV-PMACEKPBSA-N 1 3 387.568 3.267 20 0 GGADHO C[C@@H](CCNC(=O)CC1(N2CCOCC2)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000173615593 1426794322 /nfs/dbraw/zinc/79/43/22/1426794322.db2.gz SVZSEFGTEOKXFK-FQEVSTJZSA-N 1 3 387.568 3.048 20 0 GGADHO C[C@@H](CCNC(=O)CC1(N2CCOCC2)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000173615593 1426794353 /nfs/dbraw/zinc/79/43/53/1426794353.db2.gz SVZSEFGTEOKXFK-FQEVSTJZSA-N 1 3 387.568 3.048 20 0 GGADHO COc1cc(NC(=O)CC[N@H+](C)CC[C@H]2CCCCN2C)c(OC)cc1Cl ZINC000173643896 1426808102 /nfs/dbraw/zinc/80/81/02/1426808102.db2.gz SCIADWARPCUUFF-OAHLLOKOSA-N 1 3 397.947 3.492 20 0 GGADHO COc1cc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCCN2C)c(OC)cc1Cl ZINC000173643896 1426808104 /nfs/dbraw/zinc/80/81/04/1426808104.db2.gz SCIADWARPCUUFF-OAHLLOKOSA-N 1 3 397.947 3.492 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccsc1 ZINC000174157084 1427024519 /nfs/dbraw/zinc/02/45/19/1427024519.db2.gz PPVQWHYHNHNDER-PKOBYXMFSA-N 1 3 378.586 3.258 20 0 GGADHO CN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174185268 1427037933 /nfs/dbraw/zinc/03/79/33/1427037933.db2.gz GLYXPUWCCKABNU-JOCHJYFZSA-N 1 3 384.568 3.167 20 0 GGADHO CCc1ccc2c(CN3CCC(OCC[NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000174240151 1427065038 /nfs/dbraw/zinc/06/50/38/1427065038.db2.gz PWOYJICHSHZRKR-UHFFFAOYSA-N 1 3 384.520 3.432 20 0 GGADHO O=C(CC1(N2CCOCC2)CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000174281003 1427083000 /nfs/dbraw/zinc/08/30/00/1427083000.db2.gz BPNWAHFOUIDNIZ-UHFFFAOYSA-N 1 3 399.579 3.050 20 0 GGADHO CC(C)[NH+](CCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1)C(C)C ZINC000174352441 1427116049 /nfs/dbraw/zinc/11/60/49/1427116049.db2.gz RWUPXZAXIATGGB-UHFFFAOYSA-N 1 3 378.561 3.394 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000175354876 1427701374 /nfs/dbraw/zinc/70/13/74/1427701374.db2.gz JOWUIAXLMGRJDV-FQEVSTJZSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175409806 1427739461 /nfs/dbraw/zinc/73/94/61/1427739461.db2.gz HKKNECGSWKWVFX-XMSQKQJNSA-N 1 3 384.568 3.133 20 0 GGADHO CC1CC[NH+](CCCNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000175631830 1427838186 /nfs/dbraw/zinc/83/81/86/1427838186.db2.gz BEOJWBOSOIACTF-UHFFFAOYSA-N 1 3 386.584 3.414 20 0 GGADHO CN(CCNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000175816064 1427907304 /nfs/dbraw/zinc/90/73/04/1427907304.db2.gz PYPHHLDCFJGSHQ-HSZRJFAPSA-N 1 3 394.563 3.282 20 0 GGADHO CN(CCNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000175816064 1427907310 /nfs/dbraw/zinc/90/73/10/1427907310.db2.gz PYPHHLDCFJGSHQ-HSZRJFAPSA-N 1 3 394.563 3.282 20 0 GGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175971647 1428006153 /nfs/dbraw/zinc/00/61/53/1428006153.db2.gz VFVZZULCFAQKLI-WOJBJXKFSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175971647 1428006157 /nfs/dbraw/zinc/00/61/57/1428006157.db2.gz VFVZZULCFAQKLI-WOJBJXKFSA-N 1 3 386.584 3.413 20 0 GGADHO Cc1ccc([C@@H](NCC2CC[NH+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000180459414 1429874324 /nfs/dbraw/zinc/87/43/24/1429874324.db2.gz MKPKLOSEFBDULB-JOCHJYFZSA-N 1 3 386.561 3.419 20 0 GGADHO CCN(C)[C@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000180749000 1430016481 /nfs/dbraw/zinc/01/64/81/1430016481.db2.gz YAZCYLLYHFNOBK-QFIPXVFZSA-N 1 3 387.568 3.030 20 0 GGADHO Cc1nc(C)c([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000180975205 1430146080 /nfs/dbraw/zinc/14/60/80/1430146080.db2.gz UBMMXGRMNBAXAO-OAHLLOKOSA-N 1 3 386.565 3.436 20 0 GGADHO Cc1nc2c(s1)[C@H](NCc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CCC2 ZINC000180975360 1430146345 /nfs/dbraw/zinc/14/63/45/1430146345.db2.gz QPQJTVBMTKIVMI-LJQANCHMSA-N 1 3 398.576 3.444 20 0 GGADHO CCc1nc2c(s1)[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)CCC2 ZINC000181001124 1430161715 /nfs/dbraw/zinc/16/17/15/1430161715.db2.gz MHHFQFYFSQRMIA-QGZVFWFLSA-N 1 3 386.565 3.164 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000181288185 1430263383 /nfs/dbraw/zinc/26/33/83/1430263383.db2.gz DCHVEVSJNTUGGX-SYYKKAFVSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000181288185 1430263390 /nfs/dbraw/zinc/26/33/90/1430263390.db2.gz DCHVEVSJNTUGGX-SYYKKAFVSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000181305053 1430268089 /nfs/dbraw/zinc/26/80/89/1430268089.db2.gz JWWYZHFSOMVIAC-LJQANCHMSA-N 1 3 395.551 3.118 20 0 GGADHO O=C1c2ccccc2C(=O)N1CCCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181369183 1430282954 /nfs/dbraw/zinc/28/29/54/1430282954.db2.gz ZJZYRCIPJPFLLD-IBGZPJMESA-N 1 3 383.536 3.261 20 0 GGADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181412701 1430291494 /nfs/dbraw/zinc/29/14/94/1430291494.db2.gz ROLYHLWVFCOVCQ-HBGVWJBISA-N 1 3 387.524 3.062 20 0 GGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181412746 1430291817 /nfs/dbraw/zinc/29/18/17/1430291817.db2.gz ROLYHLWVFCOVCQ-CZAAIQMYSA-N 1 3 387.524 3.062 20 0 GGADHO C[C@H](CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000182031372 1430399191 /nfs/dbraw/zinc/39/91/91/1430399191.db2.gz IVXWAQABVSORIR-MOPGFXCFSA-N 1 3 387.572 3.171 20 0 GGADHO Cc1cc(F)ccc1CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000182234690 1430434627 /nfs/dbraw/zinc/43/46/27/1430434627.db2.gz SXMGHQYXNCCIIW-UHFFFAOYSA-N 1 3 375.532 3.338 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([S@@](C)=O)cc1 ZINC000182235437 1430434653 /nfs/dbraw/zinc/43/46/53/1430434653.db2.gz BRWLWVHTOQOPDS-OYBFMBOMSA-N 1 3 386.561 3.232 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc([S@@](C)=O)cc1 ZINC000182235437 1430434654 /nfs/dbraw/zinc/43/46/54/1430434654.db2.gz BRWLWVHTOQOPDS-OYBFMBOMSA-N 1 3 386.561 3.232 20 0 GGADHO COc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)cc1CN1CCCCC1 ZINC000182440192 1430468243 /nfs/dbraw/zinc/46/82/43/1430468243.db2.gz MRLOXZCZVKQNOF-OALUTQOASA-N 1 3 375.557 3.052 20 0 GGADHO COc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)cc1CN1CCCCC1 ZINC000182440229 1430468255 /nfs/dbraw/zinc/46/82/55/1430468255.db2.gz MRLOXZCZVKQNOF-RBUKOAKNSA-N 1 3 375.557 3.052 20 0 GGADHO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000182632600 1430506191 /nfs/dbraw/zinc/50/61/91/1430506191.db2.gz RNEGHJQYKFLIAE-CVDCTZTESA-N 1 3 379.552 3.156 20 0 GGADHO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000182632600 1430506197 /nfs/dbraw/zinc/50/61/97/1430506197.db2.gz RNEGHJQYKFLIAE-CVDCTZTESA-N 1 3 379.552 3.156 20 0 GGADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N(C)Cc1ccccc1 ZINC000182634972 1430506762 /nfs/dbraw/zinc/50/67/62/1430506762.db2.gz ZTWGYCJPLGLTCT-SVFBPWRDSA-N 1 3 386.584 3.459 20 0 GGADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N(C)Cc1ccccc1 ZINC000182634972 1430506764 /nfs/dbraw/zinc/50/67/64/1430506764.db2.gz ZTWGYCJPLGLTCT-SVFBPWRDSA-N 1 3 386.584 3.459 20 0 GGADHO C[C@@H](CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC000182690235 1430517858 /nfs/dbraw/zinc/51/78/58/1430517858.db2.gz HNWSVRCFNIPQBH-SFHVURJKSA-N 1 3 378.536 3.163 20 0 GGADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1CN1CCCCC1 ZINC000182776574 1430538233 /nfs/dbraw/zinc/53/82/33/1430538233.db2.gz GBZAODOCQGVHHB-UZLBHIALSA-N 1 3 383.540 3.247 20 0 GGADHO C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182856896 1430554893 /nfs/dbraw/zinc/55/48/93/1430554893.db2.gz TVPOXAKYTNPZJL-RTBURBONSA-N 1 3 376.589 3.299 20 0 GGADHO C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182856896 1430554896 /nfs/dbraw/zinc/55/48/96/1430554896.db2.gz TVPOXAKYTNPZJL-RTBURBONSA-N 1 3 376.589 3.299 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182913985 1430570016 /nfs/dbraw/zinc/57/00/16/1430570016.db2.gz TUBUGNKQHRJHOS-ZWKOTPCHSA-N 1 3 392.613 3.474 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182913985 1430570021 /nfs/dbraw/zinc/57/00/21/1430570021.db2.gz TUBUGNKQHRJHOS-ZWKOTPCHSA-N 1 3 392.613 3.474 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182930850 1430574579 /nfs/dbraw/zinc/57/45/79/1430574579.db2.gz HDRURKBZHWHPGZ-ROUUACIJSA-N 1 3 376.545 3.006 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182930850 1430574582 /nfs/dbraw/zinc/57/45/82/1430574582.db2.gz HDRURKBZHWHPGZ-ROUUACIJSA-N 1 3 376.545 3.006 20 0 GGADHO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182951647 1430579282 /nfs/dbraw/zinc/57/92/82/1430579282.db2.gz XGUFRQSXJWUFNH-IBGZPJMESA-N 1 3 387.568 3.400 20 0 GGADHO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182980769 1430584610 /nfs/dbraw/zinc/58/46/10/1430584610.db2.gz UUJHRJSWGKONMT-INIZCTEOSA-N 1 3 395.494 3.116 20 0 GGADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)cc1CN1CCCCC1 ZINC000183000122 1430589271 /nfs/dbraw/zinc/58/92/71/1430589271.db2.gz UXDZFJVZWNGRBG-PMACEKPBSA-N 1 3 389.584 3.300 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cc1CN1CCCCC1 ZINC000183000179 1430589286 /nfs/dbraw/zinc/58/92/86/1430589286.db2.gz UXDZFJVZWNGRBG-WOJBJXKFSA-N 1 3 389.584 3.300 20 0 GGADHO COc1ccc([C@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)cc1CN1CCCCC1 ZINC000183133684 1430623875 /nfs/dbraw/zinc/62/38/75/1430623875.db2.gz JUUGNAMTGHRESF-IRXDYDNUSA-N 1 3 382.570 3.155 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NCC[C@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC000183226451 1430652538 /nfs/dbraw/zinc/65/25/38/1430652538.db2.gz SUVKOIXCISOPSO-IRXDYDNUSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c(OC)c1 ZINC000183226451 1430652546 /nfs/dbraw/zinc/65/25/46/1430652546.db2.gz SUVKOIXCISOPSO-IRXDYDNUSA-N 1 3 377.529 3.275 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183226780 1430653262 /nfs/dbraw/zinc/65/32/62/1430653262.db2.gz XKBKRVZUAPKYFD-IAGOWNOFSA-N 1 3 375.513 3.044 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000183226780 1430653268 /nfs/dbraw/zinc/65/32/68/1430653268.db2.gz XKBKRVZUAPKYFD-IAGOWNOFSA-N 1 3 375.513 3.044 20 0 GGADHO COc1ccc([C@H](C)[NH2+]CCCNC(=O)C(C)C)cc1CN1CCCCC1 ZINC000183394580 1430700459 /nfs/dbraw/zinc/70/04/59/1430700459.db2.gz AQEJQKPAGNLUMY-SFHVURJKSA-N 1 3 375.557 3.494 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)c2)CC1 ZINC000184888027 1431013319 /nfs/dbraw/zinc/01/33/19/1431013319.db2.gz YIHCUDNSSFNYCT-UHFFFAOYSA-N 1 3 399.583 3.311 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NCCC[NH+]3CCC(C)CC3)c2)CC1 ZINC000184897822 1431016115 /nfs/dbraw/zinc/01/61/15/1431016115.db2.gz AJVQTIMSURYTSJ-UHFFFAOYSA-N 1 3 387.572 3.072 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 ZINC000184908005 1431018798 /nfs/dbraw/zinc/01/87/98/1431018798.db2.gz DSPAOFOCCSGBPV-UHFFFAOYSA-N 1 3 387.572 3.215 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2)CC1 ZINC000184918112 1431020721 /nfs/dbraw/zinc/02/07/21/1431020721.db2.gz IOCRZAWWSYZZSU-UHFFFAOYSA-N 1 3 387.572 3.259 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NCc3cccc(C[NH+](C)C)c3)c2)CC1 ZINC000184923436 1431022196 /nfs/dbraw/zinc/02/21/96/1431022196.db2.gz RYVDOTIQHBTCTA-UHFFFAOYSA-N 1 3 395.551 3.212 20 0 GGADHO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1(C)C ZINC000185242735 1431092122 /nfs/dbraw/zinc/09/21/22/1431092122.db2.gz SHEZUKZECIFXMQ-LEWJYISDSA-N 1 3 387.568 3.194 20 0 GGADHO C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000185352781 1431123210 /nfs/dbraw/zinc/12/32/10/1431123210.db2.gz IKKABTSCECRCOF-AWEZNQCLSA-N 1 3 384.362 3.079 20 0 GGADHO CCO[C@H](CCN(C)C)C[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185670633 1431201678 /nfs/dbraw/zinc/20/16/78/1431201678.db2.gz GJIBBEVWCVZSII-NRSPTQNISA-N 1 3 396.597 3.026 20 0 GGADHO C[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185691004 1431207167 /nfs/dbraw/zinc/20/71/67/1431207167.db2.gz SLXIXBUFNKTDGH-ROUUACIJSA-N 1 3 383.536 3.305 20 0 GGADHO Cc1cc2ncn(C[C@@H](O)CN[C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000185761162 1431227201 /nfs/dbraw/zinc/22/72/01/1431227201.db2.gz FYDFOTOHFTWOOG-ZVDOUQERSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@@H](O)CN[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2cc1C ZINC000185761162 1431227206 /nfs/dbraw/zinc/22/72/06/1431227206.db2.gz FYDFOTOHFTWOOG-ZVDOUQERSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@@H](O)C[NH2+][C@@H](C)[C@@H]3CCCN(C4CCC4)C3)c2cc1C ZINC000185761162 1431227211 /nfs/dbraw/zinc/22/72/11/1431227211.db2.gz FYDFOTOHFTWOOG-ZVDOUQERSA-N 1 3 384.568 3.257 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C3(Cc4cccc(F)c4)CCC3)CC2)CC1 ZINC000185927803 1431283271 /nfs/dbraw/zinc/28/32/71/1431283271.db2.gz ZAZUXOVMXLFEJW-UHFFFAOYSA-N 1 3 387.543 3.213 20 0 GGADHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)Cc1ccsc1 ZINC000186693987 1431493697 /nfs/dbraw/zinc/49/36/97/1431493697.db2.gz SQCGWSNSVWZCPQ-KRWDZBQOSA-N 1 3 392.613 3.269 20 0 GGADHO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186852698 1431540575 /nfs/dbraw/zinc/54/05/75/1431540575.db2.gz WHDGZAYVKWPSPA-PCCBWWKXSA-N 1 3 378.582 3.092 20 0 GGADHO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000186852729 1431540709 /nfs/dbraw/zinc/54/07/09/1431540709.db2.gz WHDGZAYVKWPSPA-QHAWAJNXSA-N 1 3 378.582 3.092 20 0 GGADHO COc1ccc(-c2ccncc2)cc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000187174964 1431637986 /nfs/dbraw/zinc/63/79/86/1431637986.db2.gz BKNDZMFLMOHJCD-UHFFFAOYSA-N 1 3 394.563 3.405 20 0 GGADHO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000188206351 1431860518 /nfs/dbraw/zinc/86/05/18/1431860518.db2.gz KAHMORCAFHYKMN-SFHVURJKSA-N 1 3 383.511 3.372 20 0 GGADHO CN(CCC(=O)N1CCc2ccccc2C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189057124 1432036271 /nfs/dbraw/zinc/03/62/71/1432036271.db2.gz URWZEAAZBNRKQT-QFIPXVFZSA-N 1 3 391.559 3.415 20 0 GGADHO CN(CCC(=O)N1CCc2ccccc2C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189057124 1432036279 /nfs/dbraw/zinc/03/62/79/1432036279.db2.gz URWZEAAZBNRKQT-QFIPXVFZSA-N 1 3 391.559 3.415 20 0 GGADHO Cc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(OCC[NH+](C)C)cc3)C2=O)cc1 ZINC000189100084 1432045073 /nfs/dbraw/zinc/04/50/73/1432045073.db2.gz SEOUAZKUKGAGJA-XXBNENTESA-N 1 3 395.547 3.387 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](C)C1 ZINC000189209063 1432063688 /nfs/dbraw/zinc/06/36/88/1432063688.db2.gz RHYIRWGVSJGZGW-GCJKJVERSA-N 1 3 388.531 3.297 20 0 GGADHO C[C@@H]1C[NH+](CCC2CCN(CCOCC(F)(F)C(F)F)CC2)C[C@@H](C)O1 ZINC000189519280 1432145420 /nfs/dbraw/zinc/14/54/20/1432145420.db2.gz YSWCQABGDLNMLA-HUUCEWRRSA-N 1 3 384.458 3.115 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCOCC(F)(F)C(F)F)CC2)C[C@@H](C)O1 ZINC000189519280 1432145428 /nfs/dbraw/zinc/14/54/28/1432145428.db2.gz YSWCQABGDLNMLA-HUUCEWRRSA-N 1 3 384.458 3.115 20 0 GGADHO C[C@H]1C[NH+](CCC2CCN(CCOCC(F)(F)C(F)F)CC2)C[C@H](C)O1 ZINC000189519262 1432145624 /nfs/dbraw/zinc/14/56/24/1432145624.db2.gz YSWCQABGDLNMLA-GJZGRUSLSA-N 1 3 384.458 3.115 20 0 GGADHO C[C@H]1CN(CCC2CC[NH+](CCOCC(F)(F)C(F)F)CC2)C[C@H](C)O1 ZINC000189519262 1432145631 /nfs/dbraw/zinc/14/56/31/1432145631.db2.gz YSWCQABGDLNMLA-GJZGRUSLSA-N 1 3 384.458 3.115 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)CC2)CC1 ZINC000189781578 1432233764 /nfs/dbraw/zinc/23/37/64/1432233764.db2.gz JLHHGRPGTXBNQT-IFMALSPDSA-N 1 3 398.595 3.256 20 0 GGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000190101916 1432319768 /nfs/dbraw/zinc/31/97/68/1432319768.db2.gz ZEYMAHLCLHDQSI-GOSISDBHSA-N 1 3 378.586 3.402 20 0 GGADHO C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000190420101 1432378172 /nfs/dbraw/zinc/37/81/72/1432378172.db2.gz LKVCRBJDRXSLEF-QFIPXVFZSA-N 1 3 396.535 3.161 20 0 GGADHO COCCN(C)c1ccc(CNCc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000190707092 1432449746 /nfs/dbraw/zinc/44/97/46/1432449746.db2.gz FLNMFVAJRUGJCO-UHFFFAOYSA-N 1 3 382.552 3.440 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000191543219 1432680888 /nfs/dbraw/zinc/68/08/88/1432680888.db2.gz OAFNBUMXOAWVGE-JOCHJYFZSA-N 1 3 385.552 3.231 20 0 GGADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000191543219 1432680895 /nfs/dbraw/zinc/68/08/95/1432680895.db2.gz OAFNBUMXOAWVGE-JOCHJYFZSA-N 1 3 385.552 3.231 20 0 GGADHO CCOC(=O)c1csc(CCN[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000191561853 1432683432 /nfs/dbraw/zinc/68/34/32/1432683432.db2.gz FBYGYJXUZMREGB-QYZOEREBSA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CCN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000191561853 1432683435 /nfs/dbraw/zinc/68/34/35/1432683435.db2.gz FBYGYJXUZMREGB-QYZOEREBSA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CC[NH2+][C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000191561853 1432683438 /nfs/dbraw/zinc/68/34/38/1432683438.db2.gz FBYGYJXUZMREGB-QYZOEREBSA-N 1 3 399.560 3.363 20 0 GGADHO CC(C)N(C)c1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000191580840 1432686798 /nfs/dbraw/zinc/68/67/98/1432686798.db2.gz ZDRGDGZXWWYZKO-JOCHJYFZSA-N 1 3 382.552 3.173 20 0 GGADHO CC(C)N(C)c1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cn1 ZINC000191580840 1432686803 /nfs/dbraw/zinc/68/68/03/1432686803.db2.gz ZDRGDGZXWWYZKO-JOCHJYFZSA-N 1 3 382.552 3.173 20 0 GGADHO CC[NH+]1CCN(c2cccc(NC3CCN(Cc4ccccn4)CC3)c2)CC1 ZINC000191885915 1432747449 /nfs/dbraw/zinc/74/74/49/1432747449.db2.gz ZSANAIIDZXFEAH-UHFFFAOYSA-N 1 3 379.552 3.300 20 0 GGADHO C[C@H](Oc1cccc2ccccc21)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000192469306 1432848480 /nfs/dbraw/zinc/84/84/80/1432848480.db2.gz HJHFHSAJEBHCCM-SFHVURJKSA-N 1 3 395.547 3.282 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C[NH+]3CCCCC3)c(C)c2)CC1 ZINC000192700658 1432876934 /nfs/dbraw/zinc/87/69/34/1432876934.db2.gz BEAVIDOKBMHWNT-LJQANCHMSA-N 1 3 387.572 3.133 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000192758140 1432885549 /nfs/dbraw/zinc/88/55/49/1432885549.db2.gz OQJHEZMUAMZWSG-RTWAWAEBSA-N 1 3 377.573 3.364 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000192758140 1432885550 /nfs/dbraw/zinc/88/55/50/1432885550.db2.gz OQJHEZMUAMZWSG-RTWAWAEBSA-N 1 3 377.573 3.364 20 0 GGADHO CC(C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000192785515 1432890706 /nfs/dbraw/zinc/89/07/06/1432890706.db2.gz MNNIUOVCZSIZHT-JOCHJYFZSA-N 1 3 375.557 3.161 20 0 GGADHO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192795917 1432892325 /nfs/dbraw/zinc/89/23/25/1432892325.db2.gz BFEQDSGPCNREDC-HNNXBMFYSA-N 1 3 389.510 3.129 20 0 GGADHO CC(C)[NH+]1CCN(CCCN2CCC(O)(c3ccccc3Cl)CC2)CC1 ZINC000192849592 1432898915 /nfs/dbraw/zinc/89/89/15/1432898915.db2.gz AVAFCBZMOCOVEB-UHFFFAOYSA-N 1 3 379.976 3.040 20 0 GGADHO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192934723 1432909898 /nfs/dbraw/zinc/90/98/98/1432909898.db2.gz NEQQRHFMLYCYLM-OAQYLSRUSA-N 1 3 398.551 3.063 20 0 GGADHO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192934710 1432910010 /nfs/dbraw/zinc/91/00/10/1432910010.db2.gz NEQQRHFMLYCYLM-NRFANRHFSA-N 1 3 398.551 3.063 20 0 GGADHO COc1cccc([C@H](CNC(=O)NCCC[NH+]2CCCCC2)N2CCCC2)c1 ZINC000193093284 1432935107 /nfs/dbraw/zinc/93/51/07/1432935107.db2.gz PJZIAEWELLWEER-NRFANRHFSA-N 1 3 388.556 3.007 20 0 GGADHO Cc1ccc(CNC(=O)C2CC[NH+](CCCN3CCCCC3)CC2)cc1F ZINC000193471882 1433004901 /nfs/dbraw/zinc/00/49/01/1433004901.db2.gz VZNMCPYVADTPAA-UHFFFAOYSA-N 1 3 375.532 3.338 20 0 GGADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccsc1 ZINC000193693005 1433041974 /nfs/dbraw/zinc/04/19/74/1433041974.db2.gz SFUOISMIACQHJZ-LJQANCHMSA-N 1 3 378.586 3.305 20 0 GGADHO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000193850455 1433072652 /nfs/dbraw/zinc/07/26/52/1433072652.db2.gz BTVNOTKEKYGZHD-KRWDZBQOSA-N 1 3 378.586 3.447 20 0 GGADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCCC2)CC1 ZINC000194420595 1433175178 /nfs/dbraw/zinc/17/51/78/1433175178.db2.gz KWAVBVKLFWNHGL-NRFANRHFSA-N 1 3 384.568 3.168 20 0 GGADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCCC2)CC1 ZINC000194420595 1433175180 /nfs/dbraw/zinc/17/51/80/1433175180.db2.gz KWAVBVKLFWNHGL-NRFANRHFSA-N 1 3 384.568 3.168 20 0 GGADHO COc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000194440729 1433178387 /nfs/dbraw/zinc/17/83/87/1433178387.db2.gz XPVSXLFEBTWOAL-UHFFFAOYSA-N 1 3 380.920 3.029 20 0 GGADHO CC(C)[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000194726657 1433220576 /nfs/dbraw/zinc/22/05/76/1433220576.db2.gz CEDBXOBYNJGQTA-FQEVSTJZSA-N 1 3 397.485 3.430 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NCc3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC000194739033 1433222291 /nfs/dbraw/zinc/22/22/91/1433222291.db2.gz WGKORKQKVPSRRB-UHFFFAOYSA-N 1 3 394.563 3.209 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC3CC[NH+](C(C)(C)C)CC3)cc2)CC1 ZINC000194744260 1433223406 /nfs/dbraw/zinc/22/34/06/1433223406.db2.gz XEGMYKWNHIAGRB-UHFFFAOYSA-N 1 3 386.584 3.210 20 0 GGADHO COc1cccc2c1CCC[C@@H]2NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000194879972 1433255442 /nfs/dbraw/zinc/25/54/42/1433255442.db2.gz AHEPABAYZFJRLU-NRFANRHFSA-N 1 3 381.520 3.154 20 0 GGADHO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000195132803 1433296910 /nfs/dbraw/zinc/29/69/10/1433296910.db2.gz CFLJKGBLKKLFFZ-AEFFLSMTSA-N 1 3 390.524 3.402 20 0 GGADHO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000195132793 1433297104 /nfs/dbraw/zinc/29/71/04/1433297104.db2.gz CFLJKGBLKKLFFZ-WMZOPIPTSA-N 1 3 390.524 3.402 20 0 GGADHO CN(C)c1c(Cl)cccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195343243 1433320722 /nfs/dbraw/zinc/32/07/22/1433320722.db2.gz CQMAMXUZENCFBQ-UHFFFAOYSA-N 1 3 393.963 3.086 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(-c4nccs4)cc3)CC2)CC1 ZINC000195342899 1433320876 /nfs/dbraw/zinc/32/08/76/1433320876.db2.gz NBZJHPIMNIMLHN-UHFFFAOYSA-N 1 3 399.564 3.490 20 0 GGADHO CC(C)OCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000195343932 1433321059 /nfs/dbraw/zinc/32/10/59/1433321059.db2.gz LPIPPLDVNBZPDU-UHFFFAOYSA-N 1 3 388.556 3.292 20 0 GGADHO CC(C)COc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195344193 1433321107 /nfs/dbraw/zinc/32/11/07/1433321107.db2.gz HFUSGOZPAAFETA-UHFFFAOYSA-N 1 3 388.556 3.402 20 0 GGADHO c1cnn(-c2ncccc2CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000236654875 1433375225 /nfs/dbraw/zinc/37/52/25/1433375225.db2.gz PAQLFXVEGWGXBH-UHFFFAOYSA-N 1 3 377.492 3.032 20 0 GGADHO CC(C)[C@H](C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)N1CCCCC1 ZINC000236807348 1433379504 /nfs/dbraw/zinc/37/95/04/1433379504.db2.gz IJWKDBLROGQZPI-HXUWFJFHSA-N 1 3 387.524 3.044 20 0 GGADHO COC(=O)c1cc(CNCCCC[NH+]2CCN(c3cccc(C)c3)CC2)oc1C ZINC000237066405 1433387684 /nfs/dbraw/zinc/38/76/84/1433387684.db2.gz XGKMCHJBDXMUJT-UHFFFAOYSA-N 1 3 399.535 3.375 20 0 GGADHO COC(=O)c1cc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)oc1C ZINC000237066405 1433387685 /nfs/dbraw/zinc/38/76/85/1433387685.db2.gz XGKMCHJBDXMUJT-UHFFFAOYSA-N 1 3 399.535 3.375 20 0 GGADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)cc2)CC1 ZINC000237091405 1433388671 /nfs/dbraw/zinc/38/86/71/1433388671.db2.gz DYZSBTCEKKVHIW-UHFFFAOYSA-N 1 3 379.548 3.437 20 0 GGADHO C[NH+]1CCN(c2cc(CNCc3cc(Cl)ccc3OC(F)F)ccn2)CC1 ZINC000237239356 1433393680 /nfs/dbraw/zinc/39/36/80/1433393680.db2.gz JSYFEUCLRCHNLK-UHFFFAOYSA-N 1 3 396.869 3.378 20 0 GGADHO COc1ccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c2ccccc12 ZINC000237238416 1433393703 /nfs/dbraw/zinc/39/37/03/1433393703.db2.gz LXIIXMIVVYSFJF-UHFFFAOYSA-N 1 3 391.515 3.430 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000237252367 1433394448 /nfs/dbraw/zinc/39/44/48/1433394448.db2.gz HGAYIVXAJLXWGS-INIZCTEOSA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000237294218 1433396014 /nfs/dbraw/zinc/39/60/14/1433396014.db2.gz ZINFFJCJXCLEMC-SJORKVTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000237294218 1433396019 /nfs/dbraw/zinc/39/60/19/1433396019.db2.gz ZINFFJCJXCLEMC-SJORKVTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCCC[C@@H]2C)c(OC)c1 ZINC000237294218 1433396024 /nfs/dbraw/zinc/39/60/24/1433396024.db2.gz ZINFFJCJXCLEMC-SJORKVTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1C#N ZINC000237377272 1433399905 /nfs/dbraw/zinc/39/99/05/1433399905.db2.gz CEHHQCPMTACYFI-UHFFFAOYSA-N 1 3 392.547 3.254 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@H](C)O1 ZINC000237404134 1433401244 /nfs/dbraw/zinc/40/12/44/1433401244.db2.gz ZVRBATKKGCSGPL-WOIUINJBSA-N 1 3 376.541 3.223 20 0 GGADHO CSCC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000237516046 1433407284 /nfs/dbraw/zinc/40/72/84/1433407284.db2.gz NWYDKKKKSOTOGQ-LJQANCHMSA-N 1 3 375.582 3.114 20 0 GGADHO C[C@@H]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237528461 1433408160 /nfs/dbraw/zinc/40/81/60/1433408160.db2.gz AEYGAZGLRMFVCO-OAQYLSRUSA-N 1 3 391.559 3.431 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CC[NH2+]CC1 ZINC000237552639 1433409232 /nfs/dbraw/zinc/40/92/32/1433409232.db2.gz NECUVQLMBBTVRV-QGZVFWFLSA-N 1 3 375.582 3.242 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237552678 1433409252 /nfs/dbraw/zinc/40/92/52/1433409252.db2.gz QDDLQFLSMKAFQJ-IEBWSBKVSA-N 1 3 375.582 3.242 20 0 GGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237907001 1433433679 /nfs/dbraw/zinc/43/36/79/1433433679.db2.gz DELIVHQNFPVPMU-JOCHJYFZSA-N 1 3 377.532 3.261 20 0 GGADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000245548565 1433483767 /nfs/dbraw/zinc/48/37/67/1433483767.db2.gz FUDVQJLULICTRO-YTFSRNRJSA-N 1 3 383.580 3.132 20 0 GGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000245587918 1433488439 /nfs/dbraw/zinc/48/84/39/1433488439.db2.gz APEALCAWCLEXEH-ZWKOTPCHSA-N 1 3 378.586 3.258 20 0 GGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000245587918 1433488441 /nfs/dbraw/zinc/48/84/41/1433488441.db2.gz APEALCAWCLEXEH-ZWKOTPCHSA-N 1 3 378.586 3.258 20 0 GGADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000245589850 1433488590 /nfs/dbraw/zinc/48/85/90/1433488590.db2.gz KLMBXHUBIFCSSX-GDBMZVCRSA-N 1 3 381.446 3.412 20 0 GGADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000245589850 1433488596 /nfs/dbraw/zinc/48/85/96/1433488596.db2.gz KLMBXHUBIFCSSX-GDBMZVCRSA-N 1 3 381.446 3.412 20 0 GGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000245589851 1433488690 /nfs/dbraw/zinc/48/86/90/1433488690.db2.gz KLMBXHUBIFCSSX-ZBFHGGJFSA-N 1 3 381.446 3.412 20 0 GGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000245589851 1433488694 /nfs/dbraw/zinc/48/86/94/1433488694.db2.gz KLMBXHUBIFCSSX-ZBFHGGJFSA-N 1 3 381.446 3.412 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245639959 1433494166 /nfs/dbraw/zinc/49/41/66/1433494166.db2.gz DCHVEVSJNTUGGX-CBQOVEMMSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245639959 1433494170 /nfs/dbraw/zinc/49/41/70/1433494170.db2.gz DCHVEVSJNTUGGX-CBQOVEMMSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000245896453 1433536579 /nfs/dbraw/zinc/53/65/79/1433536579.db2.gz DBMGERDWVRDHNH-AKHDSKFASA-N 1 3 383.577 3.159 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C[C@@H](C)O1 ZINC000245975014 1433552364 /nfs/dbraw/zinc/55/23/64/1433552364.db2.gz ONSWQLHDMRDKHH-WJFTUGDTSA-N 1 3 383.577 3.111 20 0 GGADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N2CCOCC2)cc1CN1CCCCC1 ZINC000246107750 1433570000 /nfs/dbraw/zinc/57/00/00/1433570000.db2.gz ZHICILWTXKTICF-UFYCRDLUSA-N 1 3 389.584 3.441 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000246135213 1433573035 /nfs/dbraw/zinc/57/30/35/1433573035.db2.gz BHRYCJULUIGJSK-RMEPHLEKSA-N 1 3 384.568 3.306 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000246135213 1433573038 /nfs/dbraw/zinc/57/30/38/1433573038.db2.gz BHRYCJULUIGJSK-RMEPHLEKSA-N 1 3 384.568 3.306 20 0 GGADHO CC(C)N(C(=O)[C@@H](C)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(C)C ZINC000246149913 1433574960 /nfs/dbraw/zinc/57/49/60/1433574960.db2.gz HMTNZGJQWMOWAF-VAMGGRTRSA-N 1 3 381.605 3.232 20 0 GGADHO CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)C(C)C ZINC000246149913 1433574963 /nfs/dbraw/zinc/57/49/63/1433574963.db2.gz HMTNZGJQWMOWAF-VAMGGRTRSA-N 1 3 381.605 3.232 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c2ccccc2)CC1 ZINC000246174953 1433578116 /nfs/dbraw/zinc/57/81/16/1433578116.db2.gz GKHAPDNBVSOANC-BAGYTPMASA-N 1 3 386.584 3.441 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c2ccccc2)CC1 ZINC000246174953 1433578120 /nfs/dbraw/zinc/57/81/20/1433578120.db2.gz GKHAPDNBVSOANC-BAGYTPMASA-N 1 3 386.584 3.441 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)N(C)C)cc1 ZINC000246209450 1433582096 /nfs/dbraw/zinc/58/20/96/1433582096.db2.gz AJXCNMXSCCYZKZ-BVSLBCMMSA-N 1 3 384.568 3.256 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)N(C)C)cc1 ZINC000246209450 1433582098 /nfs/dbraw/zinc/58/20/98/1433582098.db2.gz AJXCNMXSCCYZKZ-BVSLBCMMSA-N 1 3 384.568 3.256 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)N(C)C)cc1 ZINC000246209458 1433582158 /nfs/dbraw/zinc/58/21/58/1433582158.db2.gz AJXCNMXSCCYZKZ-NNWRFLSQSA-N 1 3 384.568 3.256 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)N(C)C)cc1 ZINC000246209458 1433582161 /nfs/dbraw/zinc/58/21/61/1433582161.db2.gz AJXCNMXSCCYZKZ-NNWRFLSQSA-N 1 3 384.568 3.256 20 0 GGADHO COc1cc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1OC ZINC000246316984 1433594010 /nfs/dbraw/zinc/59/40/10/1433594010.db2.gz FBNLTXAIYNSYTF-PWIZWCRZSA-N 1 3 376.541 3.431 20 0 GGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246324975 1433595274 /nfs/dbraw/zinc/59/52/74/1433595274.db2.gz CMBGZQKEVWIWOM-ACIOBRDBSA-N 1 3 396.579 3.482 20 0 GGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246324975 1433595277 /nfs/dbraw/zinc/59/52/77/1433595277.db2.gz CMBGZQKEVWIWOM-ACIOBRDBSA-N 1 3 396.579 3.482 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246359677 1433600185 /nfs/dbraw/zinc/60/01/85/1433600185.db2.gz IIUZWNFMGCPSFZ-VXKWHMMOSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246359677 1433600186 /nfs/dbraw/zinc/60/01/86/1433600186.db2.gz IIUZWNFMGCPSFZ-VXKWHMMOSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246359686 1433600308 /nfs/dbraw/zinc/60/03/08/1433600308.db2.gz IIUZWNFMGCPSFZ-YADHBBJMSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000246359686 1433600312 /nfs/dbraw/zinc/60/03/12/1433600312.db2.gz IIUZWNFMGCPSFZ-YADHBBJMSA-N 1 3 386.584 3.270 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000246463572 1433616105 /nfs/dbraw/zinc/61/61/05/1433616105.db2.gz QBPCILDHEGQLQQ-MSOLQXFVSA-N 1 3 391.556 3.379 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000246463572 1433616108 /nfs/dbraw/zinc/61/61/08/1433616108.db2.gz QBPCILDHEGQLQQ-MSOLQXFVSA-N 1 3 391.556 3.379 20 0 GGADHO O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246542591 1433628725 /nfs/dbraw/zinc/62/87/25/1433628725.db2.gz JYCPHTHWAFMFGY-RXOYHEDQSA-N 1 3 384.564 3.390 20 0 GGADHO O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246542591 1433628729 /nfs/dbraw/zinc/62/87/29/1433628729.db2.gz JYCPHTHWAFMFGY-RXOYHEDQSA-N 1 3 384.564 3.390 20 0 GGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246578432 1433634003 /nfs/dbraw/zinc/63/40/03/1433634003.db2.gz WPKOZZNRQADKBL-HMXCVIKNSA-N 1 3 384.568 3.165 20 0 GGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246578432 1433634004 /nfs/dbraw/zinc/63/40/04/1433634004.db2.gz WPKOZZNRQADKBL-HMXCVIKNSA-N 1 3 384.568 3.165 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000246579675 1433634358 /nfs/dbraw/zinc/63/43/58/1433634358.db2.gz ZSEVEIKWXIPEFS-IFMALSPDSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000246579675 1433634360 /nfs/dbraw/zinc/63/43/60/1433634360.db2.gz ZSEVEIKWXIPEFS-IFMALSPDSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CN1Cc1ccccc1 ZINC000246590302 1433635437 /nfs/dbraw/zinc/63/54/37/1433635437.db2.gz PNZCVJSWESVMFR-CEMLEFRQSA-N 1 3 384.568 3.309 20 0 GGADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000247271986 1433698628 /nfs/dbraw/zinc/69/86/28/1433698628.db2.gz RGZAAEOFNNGMJX-PXNSSMCTSA-N 1 3 376.545 3.007 20 0 GGADHO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000247271986 1433698634 /nfs/dbraw/zinc/69/86/34/1433698634.db2.gz RGZAAEOFNNGMJX-PXNSSMCTSA-N 1 3 376.545 3.007 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000247280583 1433700184 /nfs/dbraw/zinc/70/01/84/1433700184.db2.gz KHQKDOJTWLBODI-RBBKRZOGSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000247280583 1433700185 /nfs/dbraw/zinc/70/01/85/1433700185.db2.gz KHQKDOJTWLBODI-RBBKRZOGSA-N 1 3 386.584 3.270 20 0 GGADHO C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247958294 1433759247 /nfs/dbraw/zinc/75/92/47/1433759247.db2.gz FWVLCBNMXSOIPA-ODOSVJCGSA-N 1 3 377.532 3.407 20 0 GGADHO C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247958294 1433759249 /nfs/dbraw/zinc/75/92/49/1433759249.db2.gz FWVLCBNMXSOIPA-ODOSVJCGSA-N 1 3 377.532 3.407 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000248392130 1433794018 /nfs/dbraw/zinc/79/40/18/1433794018.db2.gz VQOWABWEHKAOTM-QZTJIDSGSA-N 1 3 389.540 3.148 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000248392130 1433794023 /nfs/dbraw/zinc/79/40/23/1433794023.db2.gz VQOWABWEHKAOTM-QZTJIDSGSA-N 1 3 389.540 3.148 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248401639 1433797542 /nfs/dbraw/zinc/79/75/42/1433797542.db2.gz MCSNBCXAGIQPQP-DYXWJJEUSA-N 1 3 386.584 3.459 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248401639 1433797547 /nfs/dbraw/zinc/79/75/47/1433797547.db2.gz MCSNBCXAGIQPQP-DYXWJJEUSA-N 1 3 386.584 3.459 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1ccccc1F ZINC000248403184 1433798409 /nfs/dbraw/zinc/79/84/09/1433798409.db2.gz XJDKBVIHFOZHGG-CYGODWOOSA-N 1 3 383.511 3.188 20 0 GGADHO O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCCN1CC(F)(F)F ZINC000248418843 1433801225 /nfs/dbraw/zinc/80/12/25/1433801225.db2.gz UDNCHHBTVGUCIL-NCXUSEDFSA-N 1 3 395.469 3.040 20 0 GGADHO COc1cc(C)c([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000248457329 1433804343 /nfs/dbraw/zinc/80/43/43/1433804343.db2.gz SXIPFLQPDNZNDH-YLJYHZDGSA-N 1 3 384.520 3.430 20 0 GGADHO COc1cc(C)c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000248457329 1433804345 /nfs/dbraw/zinc/80/43/45/1433804345.db2.gz SXIPFLQPDNZNDH-YLJYHZDGSA-N 1 3 384.520 3.430 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248722592 1433817674 /nfs/dbraw/zinc/81/76/74/1433817674.db2.gz CMDCDSRXKPBIQC-CEMLEFRQSA-N 1 3 384.568 3.167 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248852087 1433825754 /nfs/dbraw/zinc/82/57/54/1433825754.db2.gz OWKCSKXGFSJOMI-VGSGFSFPSA-N 1 3 396.579 3.165 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248852087 1433825756 /nfs/dbraw/zinc/82/57/56/1433825756.db2.gz OWKCSKXGFSJOMI-VGSGFSFPSA-N 1 3 396.579 3.165 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000249287376 1433840570 /nfs/dbraw/zinc/84/05/70/1433840570.db2.gz OQJHEZMUAMZWSG-LEWJYISDSA-N 1 3 377.573 3.364 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000249287376 1433840571 /nfs/dbraw/zinc/84/05/71/1433840571.db2.gz OQJHEZMUAMZWSG-LEWJYISDSA-N 1 3 377.573 3.364 20 0 GGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000252094693 1433862619 /nfs/dbraw/zinc/86/26/19/1433862619.db2.gz FGQIGYXLQXHLCC-KZNAEPCWSA-N 1 3 378.586 3.305 20 0 GGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000252094693 1433862620 /nfs/dbraw/zinc/86/26/20/1433862620.db2.gz FGQIGYXLQXHLCC-KZNAEPCWSA-N 1 3 378.586 3.305 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC/C=C\c3ccc(F)cc3)c2)C1 ZINC000255571059 1433885512 /nfs/dbraw/zinc/88/55/12/1433885512.db2.gz NZDXSAIOMSXZMQ-JZPIVDQYSA-N 1 3 381.495 3.326 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC/C=C\c3ccc(F)cc3)c2)C1 ZINC000255571059 1433885513 /nfs/dbraw/zinc/88/55/13/1433885513.db2.gz NZDXSAIOMSXZMQ-JZPIVDQYSA-N 1 3 381.495 3.326 20 0 GGADHO Cc1nc(COc2ccc(CN3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cc2)no1 ZINC000261628708 1433897848 /nfs/dbraw/zinc/89/78/48/1433897848.db2.gz FBUKBKCHBVVHGR-CTNGQTDRSA-N 1 3 378.476 3.131 20 0 GGADHO O=C(NC[C@@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261921098 1433913026 /nfs/dbraw/zinc/91/30/26/1433913026.db2.gz UYOKGPSLVMEQAR-DOTOQJQBSA-N 1 3 383.508 3.082 20 0 GGADHO O=C(NC[C@@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261921105 1433913213 /nfs/dbraw/zinc/91/32/13/1433913213.db2.gz UYOKGPSLVMEQAR-RDJZCZTQSA-N 1 3 383.508 3.082 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NCCC[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000262196382 1433930399 /nfs/dbraw/zinc/93/03/99/1433930399.db2.gz ZINFFJCJXCLEMC-IAGOWNOFSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NCCC[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000262196382 1433930402 /nfs/dbraw/zinc/93/04/02/1433930402.db2.gz ZINFFJCJXCLEMC-IAGOWNOFSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)c(OC)c1 ZINC000262196382 1433930405 /nfs/dbraw/zinc/93/04/05/1433930405.db2.gz ZINFFJCJXCLEMC-IAGOWNOFSA-N 1 3 377.529 3.275 20 0 GGADHO COc1cccc([C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)N2CCCC2)c1 ZINC000262635563 1433947021 /nfs/dbraw/zinc/94/70/21/1433947021.db2.gz HNDATGZFSUSXFG-WTNAPCKOSA-N 1 3 381.520 3.284 20 0 GGADHO COc1cccc([C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)N2CCCC2)c1 ZINC000262635562 1433947065 /nfs/dbraw/zinc/94/70/65/1433947065.db2.gz HNDATGZFSUSXFG-HSQYWUDLSA-N 1 3 381.520 3.284 20 0 GGADHO CCN(CC)[C@H](CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000262655838 1433948021 /nfs/dbraw/zinc/94/80/21/1433948021.db2.gz UNTPCDLDKGABFU-SLYNCCJLSA-N 1 3 375.557 3.220 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1(C)C ZINC000262752393 1433953929 /nfs/dbraw/zinc/95/39/29/1433953929.db2.gz ACTVHYKREJXHJN-WGGBDISSSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1(C)C ZINC000262752393 1433953933 /nfs/dbraw/zinc/95/39/33/1433953933.db2.gz ACTVHYKREJXHJN-WGGBDISSSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000262761802 1433954406 /nfs/dbraw/zinc/95/44/06/1433954406.db2.gz DNEIPCUEABEYTG-JWRIFHQMSA-N 1 3 387.568 3.030 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000262761802 1433954410 /nfs/dbraw/zinc/95/44/10/1433954410.db2.gz DNEIPCUEABEYTG-JWRIFHQMSA-N 1 3 387.568 3.030 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1(C)C ZINC000262777282 1433955544 /nfs/dbraw/zinc/95/55/44/1433955544.db2.gz JSKBMYRKXQOQBD-NFBKMPQASA-N 1 3 387.568 3.211 20 0 GGADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1(C)C ZINC000262789055 1433956151 /nfs/dbraw/zinc/95/61/51/1433956151.db2.gz NJKNEQHSNFQELY-REWPJTCUSA-N 1 3 387.568 3.211 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1(C)C ZINC000262789051 1433956259 /nfs/dbraw/zinc/95/62/59/1433956259.db2.gz NJKNEQHSNFQELY-OFNKIYASSA-N 1 3 387.568 3.211 20 0 GGADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1(C)C ZINC000262796215 1433956957 /nfs/dbraw/zinc/95/69/57/1433956957.db2.gz PPBYINUJIRFNRG-NZQKXSOJSA-N 1 3 387.568 3.211 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1(C)C ZINC000262812392 1433958188 /nfs/dbraw/zinc/95/81/88/1433958188.db2.gz VMFWESLMBLARIF-BOCKYXSRSA-N 1 3 387.568 3.299 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1(C)C ZINC000262818693 1433958436 /nfs/dbraw/zinc/95/84/36/1433958436.db2.gz XNWDYUHYYWOLLE-LLBVYWAGSA-N 1 3 387.568 3.210 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000262818693 1433958437 /nfs/dbraw/zinc/95/84/37/1433958437.db2.gz XNWDYUHYYWOLLE-LLBVYWAGSA-N 1 3 387.568 3.210 20 0 GGADHO C[C@]([NH3+])(C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000262858229 1433961924 /nfs/dbraw/zinc/96/19/24/1433961924.db2.gz KWKGBXLFWAIZLW-UYAOXDASSA-N 1 3 391.437 3.270 20 0 GGADHO CCN(CC)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1cccc(OC)c1 ZINC000263229173 1433996819 /nfs/dbraw/zinc/99/68/19/1433996819.db2.gz HQCLZQQUGQEHDZ-JITLKJJUSA-N 1 3 387.568 3.348 20 0 GGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000263271544 1434000016 /nfs/dbraw/zinc/00/00/16/1434000016.db2.gz XAOJRNHQNXUBIO-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000263271544 1434000017 /nfs/dbraw/zinc/00/00/17/1434000017.db2.gz XAOJRNHQNXUBIO-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000263271544 1434000018 /nfs/dbraw/zinc/00/00/18/1434000018.db2.gz XAOJRNHQNXUBIO-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO CCOc1c(OC)cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000263667989 1434017865 /nfs/dbraw/zinc/01/78/65/1434017865.db2.gz IZPZLMWDWNTLEY-IRXDYDNUSA-N 1 3 380.529 3.082 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)c3ccc(Cl)cc3)CC2)CC1 ZINC000263871326 1434043956 /nfs/dbraw/zinc/04/39/56/1434043956.db2.gz KGFVALBKGSYPFW-UHFFFAOYSA-N 1 3 392.975 3.433 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)c(C)c2)CC1 ZINC000264637645 1434138268 /nfs/dbraw/zinc/13/82/68/1434138268.db2.gz VEZQLVCVKNTMLK-OAQYLSRUSA-N 1 3 399.583 3.229 20 0 GGADHO Cc1cnn(CCCCCN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000264760719 1434152596 /nfs/dbraw/zinc/15/25/96/1434152596.db2.gz YQVLCIZXKJKBHH-UHFFFAOYSA-N 1 3 383.584 3.111 20 0 GGADHO Cc1cnn(CCCCCN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000264760719 1434152599 /nfs/dbraw/zinc/15/25/99/1434152599.db2.gz YQVLCIZXKJKBHH-UHFFFAOYSA-N 1 3 383.584 3.111 20 0 GGADHO COCCN1CC[C@@H](NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000265428216 1434233610 /nfs/dbraw/zinc/23/36/10/1434233610.db2.gz UGWCCQLKMVNPRI-LJQANCHMSA-N 1 3 388.556 3.293 20 0 GGADHO COCCN1CC[C@@H](NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000265428216 1434233611 /nfs/dbraw/zinc/23/36/11/1434233611.db2.gz UGWCCQLKMVNPRI-LJQANCHMSA-N 1 3 388.556 3.293 20 0 GGADHO COc1cc(NC(=O)CCN(C)C2CC[NH+](C(C)C)CC2)c(OC)cc1Cl ZINC000266757790 1434372010 /nfs/dbraw/zinc/37/20/10/1434372010.db2.gz SKPVAEYBMOGHIZ-UHFFFAOYSA-N 1 3 397.947 3.490 20 0 GGADHO CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCN(CCc2ccccn2)CC1 ZINC000267364100 1434425940 /nfs/dbraw/zinc/42/59/40/1434425940.db2.gz XAYMQMIJWPXZSC-FQEVSTJZSA-N 1 3 398.595 3.202 20 0 GGADHO CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CCN(CCc2ccccn2)CC1 ZINC000267364100 1434425942 /nfs/dbraw/zinc/42/59/42/1434425942.db2.gz XAYMQMIJWPXZSC-FQEVSTJZSA-N 1 3 398.595 3.202 20 0 GGADHO COc1cccc([C@H](CNC(=O)c2sccc2CN(C)C)[NH+]2CCCC2)c1 ZINC000268049277 1434491096 /nfs/dbraw/zinc/49/10/96/1434491096.db2.gz UIKUQGMQBIKKEK-IBGZPJMESA-N 1 3 387.549 3.385 20 0 GGADHO CN(c1ccccc1CNCc1cccc(-n2cncn2)c1)C1CC[NH+](C)CC1 ZINC000268365164 1434515792 /nfs/dbraw/zinc/51/57/92/1434515792.db2.gz QIWVLCBOGNPHIU-UHFFFAOYSA-N 1 3 390.535 3.088 20 0 GGADHO CC(C)[NH+]1CCC(O)(CNCc2c(Cl)n(C)nc2-c2ccccc2)CC1 ZINC000268400596 1434519328 /nfs/dbraw/zinc/51/93/28/1434519328.db2.gz CEFLBOYRLSCHQD-UHFFFAOYSA-N 1 3 376.932 3.065 20 0 GGADHO C[C@@H]1C[C@H](NCc2ccccc2Cn2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC000268760179 1434553774 /nfs/dbraw/zinc/55/37/74/1434553774.db2.gz LAXSMLHOXQQMMD-AUSIDOKSSA-N 1 3 375.520 3.469 20 0 GGADHO C[C@@H]1C[C@H](NCc2ccccc2Cn2cncn2)CC[N@H+]1Cc1ccccc1 ZINC000268760179 1434553775 /nfs/dbraw/zinc/55/37/75/1434553775.db2.gz LAXSMLHOXQQMMD-AUSIDOKSSA-N 1 3 375.520 3.469 20 0 GGADHO C[C@@H]1C[C@@H](NCc2ccccc2Cn2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC000268760195 1434553822 /nfs/dbraw/zinc/55/38/22/1434553822.db2.gz LAXSMLHOXQQMMD-XXBNENTESA-N 1 3 375.520 3.469 20 0 GGADHO C[C@@H]1C[C@@H](NCc2ccccc2Cn2cncn2)CC[N@H+]1Cc1ccccc1 ZINC000268760195 1434553824 /nfs/dbraw/zinc/55/38/24/1434553824.db2.gz LAXSMLHOXQQMMD-XXBNENTESA-N 1 3 375.520 3.469 20 0 GGADHO C[C@@H]1C[C@@H](NCc2ccc(Cn3cncn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268775922 1434556036 /nfs/dbraw/zinc/55/60/36/1434556036.db2.gz VVJFGFBGSGUKAL-XXBNENTESA-N 1 3 375.520 3.469 20 0 GGADHO C[C@@H]1C[C@@H](NCc2ccc(Cn3cncn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268775922 1434556037 /nfs/dbraw/zinc/55/60/37/1434556037.db2.gz VVJFGFBGSGUKAL-XXBNENTESA-N 1 3 375.520 3.469 20 0 GGADHO Fc1ccc(CC[NH+]2CCC(NCc3ccccc3Cn3cncn3)CC2)cc1 ZINC000268790041 1434557719 /nfs/dbraw/zinc/55/77/19/1434557719.db2.gz XPPDGYNVIVYTMD-UHFFFAOYSA-N 1 3 393.510 3.262 20 0 GGADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000268806401 1434559496 /nfs/dbraw/zinc/55/94/96/1434559496.db2.gz BYKMPVLOJWXLGF-KRWDZBQOSA-N 1 3 376.545 3.368 20 0 GGADHO C[C@@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268840921 1434563444 /nfs/dbraw/zinc/56/34/44/1434563444.db2.gz QSAFNPLZNKDVKJ-QGZVFWFLSA-N 1 3 381.520 3.370 20 0 GGADHO COc1cccc2c1CC[C@H]2NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268875026 1434567047 /nfs/dbraw/zinc/56/70/47/1434567047.db2.gz GTWFUXVZLQCRDP-SIKLNZKXSA-N 1 3 393.531 3.170 20 0 GGADHO COc1cccc2c1CC[C@H]2NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268875026 1434567051 /nfs/dbraw/zinc/56/70/51/1434567051.db2.gz GTWFUXVZLQCRDP-SIKLNZKXSA-N 1 3 393.531 3.170 20 0 GGADHO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3(O)CCN(C)CC3)s2)cc1 ZINC000268963828 1434576284 /nfs/dbraw/zinc/57/62/84/1434576284.db2.gz GGWXXTPJEPFDOT-CQSZACIVSA-N 1 3 375.538 3.234 20 0 GGADHO COc1ccc(C[C@@H]([NH2+]CC2(O)CCN(C)CC2)c2ccc(OC)cc2)cc1 ZINC000268970601 1434577004 /nfs/dbraw/zinc/57/70/04/1434577004.db2.gz ICEOZYAACIDBBV-JOCHJYFZSA-N 1 3 384.520 3.034 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000268985542 1434578905 /nfs/dbraw/zinc/57/89/05/1434578905.db2.gz FLQHKUNUAKABRD-QZTJIDSGSA-N 1 3 388.556 3.368 20 0 GGADHO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2(O)CCN(C)CC2)CCC3)cc1 ZINC000268998145 1434580035 /nfs/dbraw/zinc/58/00/35/1434580035.db2.gz OIZSGESWJQSEEV-KRWDZBQOSA-N 1 3 387.549 3.242 20 0 GGADHO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000269249637 1434613276 /nfs/dbraw/zinc/61/32/76/1434613276.db2.gz GIZBXKINLXOLJQ-WOJBJXKFSA-N 1 3 378.520 3.075 20 0 GGADHO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000269249631 1434613326 /nfs/dbraw/zinc/61/33/26/1434613326.db2.gz GIZBXKINLXOLJQ-PMACEKPBSA-N 1 3 378.520 3.075 20 0 GGADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1OC ZINC000269534206 1434657110 /nfs/dbraw/zinc/65/71/10/1434657110.db2.gz XWVGOMXSJUNALH-HXUWFJFHSA-N 1 3 399.535 3.122 20 0 GGADHO COCCCNC(=O)C1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000271118687 1434803112 /nfs/dbraw/zinc/80/31/12/1434803112.db2.gz FSJSLRDZMCUDIR-UHFFFAOYSA-N 1 3 389.584 3.009 20 0 GGADHO COCCCNC(=O)C1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000271118687 1434803114 /nfs/dbraw/zinc/80/31/14/1434803114.db2.gz FSJSLRDZMCUDIR-UHFFFAOYSA-N 1 3 389.584 3.009 20 0 GGADHO C[C@@H]1C[C@@H](NCCNC(=O)c2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000271470499 1434827439 /nfs/dbraw/zinc/82/74/39/1434827439.db2.gz LUYKONXWGUVUIK-AEFFLSMTSA-N 1 3 387.474 3.337 20 0 GGADHO C[C@@H]1C[C@@H](NCCNC(=O)c2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000271470499 1434827440 /nfs/dbraw/zinc/82/74/40/1434827440.db2.gz LUYKONXWGUVUIK-AEFFLSMTSA-N 1 3 387.474 3.337 20 0 GGADHO C[C@@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272307452 1434886023 /nfs/dbraw/zinc/88/60/23/1434886023.db2.gz IBIIUPNVMYUCCE-UEXGIBASSA-N 1 3 376.508 3.224 20 0 GGADHO C[C@@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272307452 1434886024 /nfs/dbraw/zinc/88/60/24/1434886024.db2.gz IBIIUPNVMYUCCE-UEXGIBASSA-N 1 3 376.508 3.224 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272343123 1434888749 /nfs/dbraw/zinc/88/87/49/1434888749.db2.gz BWTFKUSJKVNJHX-PZJWPPBQSA-N 1 3 398.551 3.263 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272343123 1434888750 /nfs/dbraw/zinc/88/87/50/1434888750.db2.gz BWTFKUSJKVNJHX-PZJWPPBQSA-N 1 3 398.551 3.263 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272343124 1434888772 /nfs/dbraw/zinc/88/87/72/1434888772.db2.gz BWTFKUSJKVNJHX-TZIWHRDSSA-N 1 3 398.551 3.263 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272343124 1434888773 /nfs/dbraw/zinc/88/87/73/1434888773.db2.gz BWTFKUSJKVNJHX-TZIWHRDSSA-N 1 3 398.551 3.263 20 0 GGADHO C[C@H](NCc1ccc(Cn2cncn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668508 1434921089 /nfs/dbraw/zinc/92/10/89/1434921089.db2.gz OSHQSZFYVHHGTR-CVDCTZTESA-N 1 3 375.520 3.327 20 0 GGADHO C[C@H](NCc1ccc(Cn2cncn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668508 1434921091 /nfs/dbraw/zinc/92/10/91/1434921091.db2.gz OSHQSZFYVHHGTR-CVDCTZTESA-N 1 3 375.520 3.327 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272668508 1434921094 /nfs/dbraw/zinc/92/10/94/1434921094.db2.gz OSHQSZFYVHHGTR-CVDCTZTESA-N 1 3 375.520 3.327 20 0 GGADHO C[C@@H](NCc1ccc(Cn2cncn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668510 1434921172 /nfs/dbraw/zinc/92/11/72/1434921172.db2.gz OSHQSZFYVHHGTR-XXBNENTESA-N 1 3 375.520 3.327 20 0 GGADHO C[C@@H](NCc1ccc(Cn2cncn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668510 1434921174 /nfs/dbraw/zinc/92/11/74/1434921174.db2.gz OSHQSZFYVHHGTR-XXBNENTESA-N 1 3 375.520 3.327 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272668510 1434921175 /nfs/dbraw/zinc/92/11/75/1434921175.db2.gz OSHQSZFYVHHGTR-XXBNENTESA-N 1 3 375.520 3.327 20 0 GGADHO Fc1ccc(CCN2CCC([NH2+]CC3(N4CCCC4)CCOCC3)CC2)cc1 ZINC000272958205 1434944029 /nfs/dbraw/zinc/94/40/29/1434944029.db2.gz ZPVVOIDQLLMCNH-UHFFFAOYSA-N 1 3 389.559 3.067 20 0 GGADHO CC(=O)c1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274784942 1435092353 /nfs/dbraw/zinc/09/23/53/1435092353.db2.gz AQUHYMPEIDBYHM-IHLLOCCUSA-N 1 3 396.531 3.129 20 0 GGADHO CC(=O)c1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274784942 1435092355 /nfs/dbraw/zinc/09/23/55/1435092355.db2.gz AQUHYMPEIDBYHM-IHLLOCCUSA-N 1 3 396.531 3.129 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)c2)CC1 ZINC000274840650 1435097300 /nfs/dbraw/zinc/09/73/00/1435097300.db2.gz UBSAJBUPUQIMPO-SFHVURJKSA-N 1 3 387.572 3.023 20 0 GGADHO COC(=O)c1ccc(-c2ccc(CNCC3(O)CC[NH+](C(C)C)CC3)o2)cc1 ZINC000274867459 1435099310 /nfs/dbraw/zinc/09/93/10/1435099310.db2.gz UYVOHGYDNNCTQL-UHFFFAOYSA-N 1 3 386.492 3.058 20 0 GGADHO COc1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1OCCO ZINC000274872524 1435099945 /nfs/dbraw/zinc/09/99/45/1435099945.db2.gz FXUYMQCAJHIJRE-WIYYLYMNSA-N 1 3 384.520 3.067 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274872578 1435099958 /nfs/dbraw/zinc/09/99/58/1435099958.db2.gz GAQFUJFSMGCHGW-PGRDOPGGSA-N 1 3 386.561 3.231 20 0 GGADHO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000274877749 1435100471 /nfs/dbraw/zinc/10/04/71/1435100471.db2.gz YUEGSUJKXRIIHS-JTSKRJEESA-N 1 3 394.519 3.084 20 0 GGADHO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000274877758 1435100495 /nfs/dbraw/zinc/10/04/95/1435100495.db2.gz YUEGSUJKXRIIHS-VGSWGCGISA-N 1 3 394.519 3.084 20 0 GGADHO C[C@H](NCc1ccccc1Cn1cncn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274894723 1435101670 /nfs/dbraw/zinc/10/16/70/1435101670.db2.gz JZQIFEHTJSAMRW-SIKLNZKXSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@H](NCc1ccccc1Cn1cncn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274894723 1435101671 /nfs/dbraw/zinc/10/16/71/1435101671.db2.gz JZQIFEHTJSAMRW-SIKLNZKXSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274894723 1435101673 /nfs/dbraw/zinc/10/16/73/1435101673.db2.gz JZQIFEHTJSAMRW-SIKLNZKXSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274903690 1435102484 /nfs/dbraw/zinc/10/24/84/1435102484.db2.gz LSBYODIMVDCEFO-PGRDOPGGSA-N 1 3 386.561 3.231 20 0 GGADHO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1 ZINC000275399701 1435136739 /nfs/dbraw/zinc/13/67/39/1435136739.db2.gz CJSMYNBCYKSRNQ-IIDPUWFRSA-N 1 3 380.536 3.140 20 0 GGADHO Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]34)CC2)n[nH]1 ZINC000275928009 1435180244 /nfs/dbraw/zinc/18/02/44/1435180244.db2.gz QZZGRNXGGRNHJN-CEMLEFRQSA-N 1 3 379.552 3.187 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2C)[C@@H](C)C1 ZINC000276286938 1435202386 /nfs/dbraw/zinc/20/23/86/1435202386.db2.gz VBPUUWHMQBJGQP-ONTIZHBOSA-N 1 3 389.584 3.069 20 0 GGADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000276504203 1435214988 /nfs/dbraw/zinc/21/49/88/1435214988.db2.gz PQMCJWJGPSUVPW-OAQYLSRUSA-N 1 3 389.588 3.057 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(OCC3CC3)cc2)cc1 ZINC000276726914 1435228435 /nfs/dbraw/zinc/22/84/35/1435228435.db2.gz CKPFKAHONOBKNW-UHFFFAOYSA-N 1 3 381.520 3.057 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)NCC3CC[NH+](C4CC4)CC3)c(C)c2)CC1 ZINC000277693664 1435322520 /nfs/dbraw/zinc/32/25/20/1435322520.db2.gz CJTIQQDYONEBIJ-UHFFFAOYSA-N 1 3 399.583 3.133 20 0 GGADHO Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000278392809 1435386901 /nfs/dbraw/zinc/38/69/01/1435386901.db2.gz DWFVVDOYARYABK-CTNGQTDRSA-N 1 3 398.595 3.441 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278516125 1435396508 /nfs/dbraw/zinc/39/65/08/1435396508.db2.gz MLVHANQLINYVCT-ROUUACIJSA-N 1 3 376.545 3.368 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278516125 1435396510 /nfs/dbraw/zinc/39/65/10/1435396510.db2.gz MLVHANQLINYVCT-ROUUACIJSA-N 1 3 376.545 3.368 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000279783870 1435542592 /nfs/dbraw/zinc/54/25/92/1435542592.db2.gz CFKNRURHRTXBHT-OAQYLSRUSA-N 1 3 388.531 3.061 20 0 GGADHO COc1cc2c(cc1OC)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2 ZINC000279961704 1435569924 /nfs/dbraw/zinc/56/99/24/1435569924.db2.gz CIDRXHOIBVXLHC-RBBKRZOGSA-N 1 3 396.531 3.438 20 0 GGADHO COc1cc2c(cc1OC)[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2 ZINC000279961704 1435569928 /nfs/dbraw/zinc/56/99/28/1435569928.db2.gz CIDRXHOIBVXLHC-RBBKRZOGSA-N 1 3 396.531 3.438 20 0 GGADHO COc1cc2c(cc1OC)[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000279961695 1435570153 /nfs/dbraw/zinc/57/01/53/1435570153.db2.gz CIDRXHOIBVXLHC-IFMALSPDSA-N 1 3 396.531 3.438 20 0 GGADHO COc1cc2c(cc1OC)[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000279961695 1435570154 /nfs/dbraw/zinc/57/01/54/1435570154.db2.gz CIDRXHOIBVXLHC-IFMALSPDSA-N 1 3 396.531 3.438 20 0 GGADHO COc1cc2c(cc1OC)[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000280024233 1435578524 /nfs/dbraw/zinc/57/85/24/1435578524.db2.gz HOYZUWAVNVYJKU-PZJWPPBQSA-N 1 3 382.504 3.048 20 0 GGADHO COc1cc2c(cc1OC)[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000280024233 1435578531 /nfs/dbraw/zinc/57/85/31/1435578531.db2.gz HOYZUWAVNVYJKU-PZJWPPBQSA-N 1 3 382.504 3.048 20 0 GGADHO Cc1ccccc1-n1nccc1CN1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000280209917 1435609339 /nfs/dbraw/zinc/60/93/39/1435609339.db2.gz IZMZAVQEVXHYED-UHFFFAOYSA-N 1 3 381.568 3.171 20 0 GGADHO COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccc(CN3CCN(C)CC3)cc1)CC2 ZINC000280218766 1435611140 /nfs/dbraw/zinc/61/11/40/1435611140.db2.gz UNVRVQBKIIPRLI-JOCHJYFZSA-N 1 3 395.547 3.228 20 0 GGADHO COc1cc(NC(=O)CC[N@H+](C)CCCN2CCCC2)c(OC)cc1Cl ZINC000281211097 1435796868 /nfs/dbraw/zinc/79/68/68/1435796868.db2.gz DFGSCVRFZAQMRP-UHFFFAOYSA-N 1 3 383.920 3.104 20 0 GGADHO COc1cc(NC(=O)CC[N@@H+](C)CCCN2CCCC2)c(OC)cc1Cl ZINC000281211097 1435796877 /nfs/dbraw/zinc/79/68/77/1435796877.db2.gz DFGSCVRFZAQMRP-UHFFFAOYSA-N 1 3 383.920 3.104 20 0 GGADHO CSc1ccccc1[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000281840833 1435823880 /nfs/dbraw/zinc/82/38/80/1435823880.db2.gz MXHXBXSLJIHNAC-INIZCTEOSA-N 1 3 390.597 3.327 20 0 GGADHO COCCC[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000282131111 1435835864 /nfs/dbraw/zinc/83/58/64/1435835864.db2.gz BLOCRCXJCFKSTA-FQEVSTJZSA-N 1 3 375.488 3.419 20 0 GGADHO Cn1cc(-c2ccc(CNCc3ccccc3C[NH+]3CCC(O)CC3)s2)cn1 ZINC000282339288 1435843692 /nfs/dbraw/zinc/84/36/92/1435843692.db2.gz VTVXHZARXNQECY-UHFFFAOYSA-N 1 3 396.560 3.395 20 0 GGADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000282769092 1435859653 /nfs/dbraw/zinc/85/96/53/1435859653.db2.gz JHQLUYGWROOKNW-QZTJIDSGSA-N 1 3 397.567 3.205 20 0 GGADHO Cc1ccc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c(-c2cnn(C)c2)c1 ZINC000282903855 1435865377 /nfs/dbraw/zinc/86/53/77/1435865377.db2.gz ZARPUPCAKPSBIM-UHFFFAOYSA-N 1 3 395.595 3.386 20 0 GGADHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c2ccccc21 ZINC000282994090 1435869352 /nfs/dbraw/zinc/86/93/52/1435869352.db2.gz FSQVKOLDUVOGOX-CLAROIROSA-N 1 3 386.536 3.136 20 0 GGADHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000282994101 1435869446 /nfs/dbraw/zinc/86/94/46/1435869446.db2.gz FSQVKOLDUVOGOX-MBDNFAEBSA-N 1 3 386.536 3.136 20 0 GGADHO CCOC(=O)[C@H]1CC[C@@H](NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000283489287 1435892281 /nfs/dbraw/zinc/89/22/81/1435892281.db2.gz XVSKQIJQVXAFSK-LEWJYISDSA-N 1 3 397.519 3.293 20 0 GGADHO C[NH+]1CCC(Oc2ccc(CNCc3ccc(N4CCCC4)nc3)cc2)CC1 ZINC000283813827 1435929167 /nfs/dbraw/zinc/92/91/67/1435929167.db2.gz BXJIHPLIFLWKBW-UHFFFAOYSA-N 1 3 380.536 3.445 20 0 GGADHO COc1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc2c1OCO2 ZINC000283828735 1435931882 /nfs/dbraw/zinc/93/18/82/1435931882.db2.gz FAJQBLQHJATFRX-UHFFFAOYSA-N 1 3 384.476 3.187 20 0 GGADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(N3CCCC3)cc3ccccc32)C1 ZINC001164735514 720526487 /nfs/dbraw/zinc/52/64/87/720526487.db2.gz ZALNJGWYHNKRQH-SFHVURJKSA-N 1 3 390.535 3.230 20 0 GGADHO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)cc(C)n1)CC2 ZINC001164790584 721450789 /nfs/dbraw/zinc/45/07/89/721450789.db2.gz ZUIWTSPKNQVOKF-OAQYLSRUSA-N 1 3 387.568 3.432 20 0 GGADHO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)cc(C)n1)CC2 ZINC001164790584 721450791 /nfs/dbraw/zinc/45/07/91/721450791.db2.gz ZUIWTSPKNQVOKF-OAQYLSRUSA-N 1 3 387.568 3.432 20 0 GGADHO CN(Cc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1)C1CC1 ZINC001164908714 721557456 /nfs/dbraw/zinc/55/74/56/721557456.db2.gz RTIWCLSPQQSVHJ-IFMALSPDSA-N 1 3 396.510 3.157 20 0 GGADHO CN(Cc1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1)C1CC1 ZINC001164908714 721557460 /nfs/dbraw/zinc/55/74/60/721557460.db2.gz RTIWCLSPQQSVHJ-IFMALSPDSA-N 1 3 396.510 3.157 20 0 GGADHO CN(C)c1cc[nH+]c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164906708 721702192 /nfs/dbraw/zinc/70/21/92/721702192.db2.gz PDZIVNWDMFJYQS-HXUWFJFHSA-N 1 3 387.478 3.280 20 0 GGADHO c1cc2c(cc[nH+]c2N2CCC3(CC2)COCCN(Cc2ccncc2)C3)[nH]1 ZINC001164960491 722053079 /nfs/dbraw/zinc/05/30/79/722053079.db2.gz PMLPZQGJGGXAHZ-UHFFFAOYSA-N 1 3 377.492 3.077 20 0 GGADHO Cc1[nH+]c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc2[nH]ccc21 ZINC001164960001 722058606 /nfs/dbraw/zinc/05/86/06/722058606.db2.gz CIFMNFJNDDQNNP-UHFFFAOYSA-N 1 3 391.519 3.385 20 0 GGADHO C[NH+](C)CCOc1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC001177821590 1126150546 /nfs/dbraw/zinc/15/05/46/1126150546.db2.gz AEQAGOGBSJMXMG-VQTJNVASSA-N 1 3 396.453 3.251 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000123873626 564464046 /nfs/dbraw/zinc/46/40/46/564464046.db2.gz OEYQWVUEQJTBJE-UHFFFAOYSA-N 1 3 390.325 3.030 20 0 GGADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000056523014 564649957 /nfs/dbraw/zinc/64/99/57/564649957.db2.gz BKESWDDFUPZQHS-MRXNPFEDSA-N 1 3 375.340 3.397 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000133110994 564763944 /nfs/dbraw/zinc/76/39/44/564763944.db2.gz NUAKUUZPTLPNJJ-UHFFFAOYSA-N 1 3 391.741 3.060 20 0 GGADHO Brc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc2c1OCCCO2 ZINC000071939935 564858891 /nfs/dbraw/zinc/85/88/91/564858891.db2.gz IGRSGDCGYOTRPI-ZDUSSCGKSA-N 1 3 381.314 3.184 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000150990001 564900890 /nfs/dbraw/zinc/90/08/90/564900890.db2.gz QHHSDGFXIJLSKD-GOSISDBHSA-N 1 3 396.373 3.278 20 0 GGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000151097763 564905119 /nfs/dbraw/zinc/90/51/19/564905119.db2.gz VDLWJAJKXSBGED-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000151097763 564905123 /nfs/dbraw/zinc/90/51/23/564905123.db2.gz VDLWJAJKXSBGED-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000151097763 564905127 /nfs/dbraw/zinc/90/51/27/564905127.db2.gz VDLWJAJKXSBGED-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000103211993 564944796 /nfs/dbraw/zinc/94/47/96/564944796.db2.gz ISXJFONFAXCMBE-UHFFFAOYSA-N 1 3 380.945 3.029 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152373002 564956733 /nfs/dbraw/zinc/95/67/33/564956733.db2.gz XRCCCVLKYREBGJ-ZIAGYGMSSA-N 1 3 380.330 3.240 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152373002 564956738 /nfs/dbraw/zinc/95/67/38/564956738.db2.gz XRCCCVLKYREBGJ-ZIAGYGMSSA-N 1 3 380.330 3.240 20 0 GGADHO CCCOc1ccc(Br)cc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000105477066 564967231 /nfs/dbraw/zinc/96/72/31/564967231.db2.gz RRZPLVOYZCXTLR-UHFFFAOYSA-N 1 3 398.389 3.355 20 0 GGADHO CCCOc1ccc(Br)cc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000105477066 564967234 /nfs/dbraw/zinc/96/72/34/564967234.db2.gz RRZPLVOYZCXTLR-UHFFFAOYSA-N 1 3 398.389 3.355 20 0 GGADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000154354381 565034822 /nfs/dbraw/zinc/03/48/22/565034822.db2.gz PTABKCBERZOTNU-GOSISDBHSA-N 1 3 384.337 3.193 20 0 GGADHO CN1CCN(CCCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000154372888 565035834 /nfs/dbraw/zinc/03/58/34/565035834.db2.gz UTTDMYBIBOUFSK-GOSISDBHSA-N 1 3 396.373 3.280 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1Br ZINC000157602404 565138167 /nfs/dbraw/zinc/13/81/67/565138167.db2.gz KHXLWHLSVYDBLA-OAHLLOKOSA-N 1 3 397.361 3.329 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1Br ZINC000157602404 565138172 /nfs/dbraw/zinc/13/81/72/565138172.db2.gz KHXLWHLSVYDBLA-OAHLLOKOSA-N 1 3 397.361 3.329 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295122606 565246612 /nfs/dbraw/zinc/24/66/12/565246612.db2.gz XLZVWLAQYIVVTG-RJCAOGMDSA-N 1 3 380.330 3.381 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295122606 565246615 /nfs/dbraw/zinc/24/66/15/565246615.db2.gz XLZVWLAQYIVVTG-RJCAOGMDSA-N 1 3 380.330 3.381 20 0 GGADHO C[C@H](Cn1cc(Br)cn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162920472 565331065 /nfs/dbraw/zinc/33/10/65/565331065.db2.gz IPCZSDGLRKQNCZ-OAHLLOKOSA-N 1 3 377.330 3.420 20 0 GGADHO Brc1ccc(N2CC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000164730019 565362453 /nfs/dbraw/zinc/36/24/53/565362453.db2.gz CKZREXQWPNZYHU-GOSISDBHSA-N 1 3 378.358 3.492 20 0 GGADHO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165315364 565369559 /nfs/dbraw/zinc/36/95/59/565369559.db2.gz QKOAQPCUPAATDB-AEFFLSMTSA-N 1 3 391.357 3.188 20 0 GGADHO C[C@H](Cn1cc(Br)cn1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165315364 565369562 /nfs/dbraw/zinc/36/95/62/565369562.db2.gz QKOAQPCUPAATDB-AEFFLSMTSA-N 1 3 391.357 3.188 20 0 GGADHO C[C@H](Cn1cc(Br)cn1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165315364 565369565 /nfs/dbraw/zinc/36/95/65/565369565.db2.gz QKOAQPCUPAATDB-AEFFLSMTSA-N 1 3 391.357 3.188 20 0 GGADHO Brc1ccc(N2CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166333747 565375007 /nfs/dbraw/zinc/37/50/07/565375007.db2.gz NZPTXHHXXSSNBG-SZVBFZGTSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1ccc(N2CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166333747 565375012 /nfs/dbraw/zinc/37/50/12/565375012.db2.gz NZPTXHHXXSSNBG-SZVBFZGTSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCN4CCC[C@@H]4C3)C2)cc1 ZINC000166333747 565375016 /nfs/dbraw/zinc/37/50/16/565375016.db2.gz NZPTXHHXXSSNBG-SZVBFZGTSA-N 1 3 378.358 3.492 20 0 GGADHO CC[NH+]1CCN(Cc2ccc(CNCc3ccc(Br)o3)cc2)CC1 ZINC000190778170 565558514 /nfs/dbraw/zinc/55/85/14/565558514.db2.gz XXOPLUOOBUCAOE-UHFFFAOYSA-N 1 3 392.341 3.469 20 0 GGADHO C[NH+](C)CCOCCNCc1ccc(OC(F)(F)F)c(Br)c1 ZINC000318852664 565597468 /nfs/dbraw/zinc/59/74/68/565597468.db2.gz NXHADQMCSDPYOI-UHFFFAOYSA-N 1 3 385.224 3.016 20 0 GGADHO CC(C)N1CCN(CCC[N@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000191487919 565608001 /nfs/dbraw/zinc/60/80/01/565608001.db2.gz PREBIYQJDDBLTJ-UHFFFAOYSA-N 1 3 382.390 3.340 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000191487919 565608006 /nfs/dbraw/zinc/60/80/06/565608006.db2.gz PREBIYQJDDBLTJ-UHFFFAOYSA-N 1 3 382.390 3.340 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc3ccc(Br)cn23)C[C@H](C)O1 ZINC000174316456 565630014 /nfs/dbraw/zinc/63/00/14/565630014.db2.gz YTNCJIRCXLYLMV-GASCZTMLSA-N 1 3 395.345 3.076 20 0 GGADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Br ZINC000176690269 565793562 /nfs/dbraw/zinc/79/35/62/565793562.db2.gz UWKJOLKPEHFFDA-UHFFFAOYSA-N 1 3 394.357 3.046 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000195341746 565876713 /nfs/dbraw/zinc/87/67/13/565876713.db2.gz FHNVWLHEVAAKEK-UHFFFAOYSA-N 1 3 395.345 3.129 20 0 GGADHO C[C@@H]1CC2(CN1Cc1nc(-c3cccc(Br)c3)no1)CC[NH2+]CC2 ZINC000333622800 565889755 /nfs/dbraw/zinc/88/97/55/565889755.db2.gz UPMNPXSSOQVKGL-CYBMUJFWSA-N 1 3 391.313 3.463 20 0 GGADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000414199125 565903098 /nfs/dbraw/zinc/90/30/98/565903098.db2.gz QPDUZGHDAFJYIC-OAHLLOKOSA-N 1 3 386.367 3.441 20 0 GGADHO CC[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414192570 565903281 /nfs/dbraw/zinc/90/32/81/565903281.db2.gz SLGRMIQANZERQR-RHSMWYFYSA-N 1 3 387.977 3.021 20 0 GGADHO CC[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000414192570 565903285 /nfs/dbraw/zinc/90/32/85/565903285.db2.gz SLGRMIQANZERQR-RHSMWYFYSA-N 1 3 387.977 3.021 20 0 GGADHO CS(=O)(=O)c1ccc(CNCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000414305118 565909670 /nfs/dbraw/zinc/90/96/70/565909670.db2.gz NFMVUBXHFBRRGW-UHFFFAOYSA-N 1 3 378.563 3.153 20 0 GGADHO CC(C)N1CCN(CCC[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000285560805 565914501 /nfs/dbraw/zinc/91/45/01/565914501.db2.gz NATYPDWXMXLQDX-LJQANCHMSA-N 1 3 388.383 3.423 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H](C)C[NH+]1CCCC1 ZINC000237443497 565959980 /nfs/dbraw/zinc/95/99/80/565959980.db2.gz SETJHUOHZALQOM-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000237443497 565959985 /nfs/dbraw/zinc/95/99/85/565959985.db2.gz SETJHUOHZALQOM-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000414928528 565964845 /nfs/dbraw/zinc/96/48/45/565964845.db2.gz QDNLKGPAJLKOIL-RDJZCZTQSA-N 1 3 394.357 3.222 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000414928530 565965235 /nfs/dbraw/zinc/96/52/35/565965235.db2.gz QDNLKGPAJLKOIL-WBVHZDCISA-N 1 3 394.357 3.222 20 0 GGADHO C[C@H](CN[C@@H](C)CC(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000237604647 565965515 /nfs/dbraw/zinc/96/55/15/565965515.db2.gz SETJHUOHZALQOM-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)CN1CCCC1 ZINC000237604647 565965516 /nfs/dbraw/zinc/96/55/16/565965516.db2.gz SETJHUOHZALQOM-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO CC1(CNCc2ncc(Br)cc2Br)CC[NH2+]CC1 ZINC000414896406 565965885 /nfs/dbraw/zinc/96/58/85/565965885.db2.gz BMKXFGUWORIZOW-UHFFFAOYSA-N 1 3 377.124 3.086 20 0 GGADHO [NH3+][C@@H]1CCC[C@@H](CNCc2c(F)ccc(I)c2F)C1 ZINC000414990663 565968609 /nfs/dbraw/zinc/96/86/09/565968609.db2.gz AJVBLNFCFXEKRK-NXEZZACHSA-N 1 3 380.220 3.177 20 0 GGADHO COc1c(Br)cc(Br)cc1CN[C@H](C)CCC[NH3+] ZINC000415029020 565971053 /nfs/dbraw/zinc/97/10/53/565971053.db2.gz ZUMQHUSANDCQRE-SECBINFHSA-N 1 3 380.124 3.437 20 0 GGADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000415086677 565973169 /nfs/dbraw/zinc/97/31/69/565973169.db2.gz SLUGWYBGACTMAT-AUUYWEPGSA-N 1 3 394.357 3.077 20 0 GGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000362031726 565975402 /nfs/dbraw/zinc/97/54/02/565975402.db2.gz DOXRHNXGPDAQMP-LSDHHAIUSA-N 1 3 396.373 3.277 20 0 GGADHO COc1ccc([C@H](C)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000362031726 565975406 /nfs/dbraw/zinc/97/54/06/565975406.db2.gz DOXRHNXGPDAQMP-LSDHHAIUSA-N 1 3 396.373 3.277 20 0 GGADHO COc1ccc([C@H](C)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000362031726 565975409 /nfs/dbraw/zinc/97/54/09/565975409.db2.gz DOXRHNXGPDAQMP-LSDHHAIUSA-N 1 3 396.373 3.277 20 0 GGADHO [NH3+]CC1(O)CCN(Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000415137143 565976464 /nfs/dbraw/zinc/97/64/64/565976464.db2.gz FCAVRYYZJTUHTF-UHFFFAOYSA-N 1 3 381.339 3.463 20 0 GGADHO Brc1cccc(N2CC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000246408306 566028621 /nfs/dbraw/zinc/02/86/21/566028621.db2.gz HZMMWLWQRMXBMY-HHXXYDBFSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1cccc(N2CC[C@H](CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000246408306 566028622 /nfs/dbraw/zinc/02/86/22/566028622.db2.gz HZMMWLWQRMXBMY-HHXXYDBFSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1cccc(N2CC[C@H](C[NH2+][C@H]3CCN4CCC[C@@H]4C3)C2)c1 ZINC000246408306 566028625 /nfs/dbraw/zinc/02/86/25/566028625.db2.gz HZMMWLWQRMXBMY-HHXXYDBFSA-N 1 3 378.358 3.492 20 0 GGADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000181459460 566142305 /nfs/dbraw/zinc/14/23/05/566142305.db2.gz IPTWOHIVEQJJFV-VKJFTORMSA-N 1 3 396.373 3.104 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366262007 566144459 /nfs/dbraw/zinc/14/44/59/566144459.db2.gz XCOGLMAVDNBIRR-XYPHTWIQSA-N 1 3 380.330 3.383 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366262007 566144466 /nfs/dbraw/zinc/14/44/66/566144466.db2.gz XCOGLMAVDNBIRR-XYPHTWIQSA-N 1 3 380.330 3.383 20 0 GGADHO COc1ccc([C@H](C)NCCN2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000181856578 566169636 /nfs/dbraw/zinc/16/96/36/566169636.db2.gz XBWICVNLPYCQDV-AWEZNQCLSA-N 1 3 384.362 3.134 20 0 GGADHO COc1ccc([C@@H](NCC2(O)CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000290628187 566181493 /nfs/dbraw/zinc/18/14/93/566181493.db2.gz IWBLDFRSQGDSRI-KRWDZBQOSA-N 1 3 385.346 3.201 20 0 GGADHO CCCN(C)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(Cl)cc1 ZINC000418186118 566202812 /nfs/dbraw/zinc/20/28/12/566202812.db2.gz RNYMVCJLOFQEMX-GJZGRUSLSA-N 1 3 376.879 3.005 20 0 GGADHO CN(Cc1cnc(-c2cccs2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368050817 566229026 /nfs/dbraw/zinc/22/90/26/566229026.db2.gz IDXUMOOLWGITBK-INIZCTEOSA-N 1 3 376.595 3.472 20 0 GGADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000575234213 566263581 /nfs/dbraw/zinc/26/35/81/566263581.db2.gz GEPXKFPTMWNJDR-GOSISDBHSA-N 1 3 394.401 3.314 20 0 GGADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000575234214 566263829 /nfs/dbraw/zinc/26/38/29/566263829.db2.gz GEPXKFPTMWNJDR-SFHVURJKSA-N 1 3 394.401 3.314 20 0 GGADHO COc1ccc([C@H](CN)C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000420297085 566272271 /nfs/dbraw/zinc/27/22/71/566272271.db2.gz FIZOWTJCLNSMDM-OAHLLOKOSA-N 1 3 393.329 3.034 20 0 GGADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccc(Br)cc3)CC2)C1 ZINC000420389550 566276592 /nfs/dbraw/zinc/27/65/92/566276592.db2.gz MESFWYKECGQMIH-WMZOPIPTSA-N 1 3 383.330 3.046 20 0 GGADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1cccc(Br)c1 ZINC000576030121 566308955 /nfs/dbraw/zinc/30/89/55/566308955.db2.gz ODBXBUOBWAGSDO-GOSISDBHSA-N 1 3 397.357 3.185 20 0 GGADHO CC[C@@H](CSc1ccc(Cl)cc1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000482539751 566315808 /nfs/dbraw/zinc/31/58/08/566315808.db2.gz SLBSYBXPBFOSSE-RDJZCZTQSA-N 1 3 383.989 3.388 20 0 GGADHO CC[C@@H](CSc1ccc(Cl)cc1)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000482539751 566315817 /nfs/dbraw/zinc/31/58/17/566315817.db2.gz SLBSYBXPBFOSSE-RDJZCZTQSA-N 1 3 383.989 3.388 20 0 GGADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2)CC1 ZINC000669847283 566332744 /nfs/dbraw/zinc/33/27/44/566332744.db2.gz XQNNDWZHTKGICT-VQIMIIECSA-N 1 3 378.358 3.195 20 0 GGADHO C[C@@H](Cc1ccc(F)cc1Br)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000576856856 566384766 /nfs/dbraw/zinc/38/47/66/566384766.db2.gz OFKTYZFPGDJYSV-WMLDXEAASA-N 1 3 387.337 3.202 20 0 GGADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000576856854 566385292 /nfs/dbraw/zinc/38/52/92/566385292.db2.gz OFKTYZFPGDJYSV-RHSMWYFYSA-N 1 3 387.337 3.202 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(Br)c1C ZINC000463619507 566422411 /nfs/dbraw/zinc/42/24/11/566422411.db2.gz RGOUCYMKKRYTEA-MRXNPFEDSA-N 1 3 396.373 3.246 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(Br)c1C ZINC000463619507 566422417 /nfs/dbraw/zinc/42/24/17/566422417.db2.gz RGOUCYMKKRYTEA-MRXNPFEDSA-N 1 3 396.373 3.246 20 0 GGADHO CCN1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000557827111 566424299 /nfs/dbraw/zinc/42/42/99/566424299.db2.gz JCQILMZKKWLSBT-KBXCAEBGSA-N 1 3 377.330 3.455 20 0 GGADHO CCN1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@H](C)C1 ZINC000557827121 566425110 /nfs/dbraw/zinc/42/51/10/566425110.db2.gz JCQILMZKKWLSBT-KDOFPFPSSA-N 1 3 377.330 3.455 20 0 GGADHO Fc1cc(Br)ccc1CCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422751611 566463387 /nfs/dbraw/zinc/46/33/87/566463387.db2.gz BSUAEFOEEUKGAS-CGTJXYLNSA-N 1 3 385.321 3.268 20 0 GGADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422895426 566464463 /nfs/dbraw/zinc/46/44/63/566464463.db2.gz VYYZYIXCBBKROJ-HNAYVOBHSA-N 1 3 380.374 3.391 20 0 GGADHO O=C(NCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422876897 566465319 /nfs/dbraw/zinc/46/53/19/566465319.db2.gz GQCXBGUIADJUOA-KZNAEPCWSA-N 1 3 394.357 3.079 20 0 GGADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)COc1ccccc1Br ZINC000422945593 566466407 /nfs/dbraw/zinc/46/64/07/566466407.db2.gz VBSRSQYLHZXQIS-XYVMCAHJSA-N 1 3 397.357 3.089 20 0 GGADHO CCOC(=O)C1([C@@H](C)NC2(c3cccc(Br)c3)CC2)CC[NH2+]CC1 ZINC000422948326 566467371 /nfs/dbraw/zinc/46/73/71/566467371.db2.gz RSIZSPMHPPVFQX-CQSZACIVSA-N 1 3 395.341 3.349 20 0 GGADHO COc1cc(Br)ccc1CCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423028822 566468370 /nfs/dbraw/zinc/46/83/70/566468370.db2.gz HETQXXFLLRHVMP-KZNAEPCWSA-N 1 3 397.357 3.137 20 0 GGADHO Clc1ccc(Br)c(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423002049 566469151 /nfs/dbraw/zinc/46/91/51/566469151.db2.gz YFBGWFKZOXQIGA-HYVNUMGLSA-N 1 3 387.749 3.392 20 0 GGADHO Brc1ccc2[nH]cc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000423033864 566469412 /nfs/dbraw/zinc/46/94/12/566469412.db2.gz OZIBIOUKBAQFRK-JENIJYKNSA-N 1 3 392.341 3.220 20 0 GGADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)nc12 ZINC000423040270 566471343 /nfs/dbraw/zinc/47/13/43/566471343.db2.gz SWPOLSVGSGEATM-RCCFBDPRSA-N 1 3 391.357 3.458 20 0 GGADHO Clc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000423043310 566471734 /nfs/dbraw/zinc/47/17/34/566471734.db2.gz OHBSZIHGIDOXTE-LLBUTXAOSA-N 1 3 384.351 3.319 20 0 GGADHO Clc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000423074141 566472749 /nfs/dbraw/zinc/47/27/49/566472749.db2.gz UBWYXTREKLSCAS-UOVPBQLFSA-N 1 3 384.351 3.319 20 0 GGADHO CCOC(=O)C1([C@@H](C)NCc2cccc(C)c2Br)CC[NH2+]CC1 ZINC000423069513 566472828 /nfs/dbraw/zinc/47/28/28/566472828.db2.gz LSKDHOKMDMIAMT-CQSZACIVSA-N 1 3 383.330 3.169 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000423073503 566472907 /nfs/dbraw/zinc/47/29/07/566472907.db2.gz IUJAJMQOEXOKEJ-JCHJZTRSSA-N 1 3 381.358 3.110 20 0 GGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CO)Cc1ccccc1Br ZINC000423070329 566473039 /nfs/dbraw/zinc/47/30/39/566473039.db2.gz COVVBDLQPLPYSL-VPWXQRGCSA-N 1 3 391.353 3.148 20 0 GGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000423078001 566473113 /nfs/dbraw/zinc/47/31/13/566473113.db2.gz VACMXOMCCKWPMY-XJKSGUPXSA-N 1 3 392.341 3.113 20 0 GGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423077999 566473602 /nfs/dbraw/zinc/47/36/02/566473602.db2.gz VACMXOMCCKWPMY-CJNGLKHVSA-N 1 3 392.341 3.113 20 0 GGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000423078959 566473816 /nfs/dbraw/zinc/47/38/16/566473816.db2.gz WXVVFOLJOHLVOZ-CVAIRZPRSA-N 1 3 391.353 3.148 20 0 GGADHO CN(C)CCOCC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000577895557 566474755 /nfs/dbraw/zinc/47/47/55/566474755.db2.gz NPIIUXOGGWNFED-QGZVFWFLSA-N 1 3 380.330 3.476 20 0 GGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000423127325 566477494 /nfs/dbraw/zinc/47/74/94/566477494.db2.gz BVSFCQYXEILXCT-GHJWDPDVSA-N 1 3 387.749 3.476 20 0 GGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000423127325 566477496 /nfs/dbraw/zinc/47/74/96/566477496.db2.gz BVSFCQYXEILXCT-GHJWDPDVSA-N 1 3 387.749 3.476 20 0 GGADHO O=S(=O)(CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423145082 566478492 /nfs/dbraw/zinc/47/84/92/566478492.db2.gz IZWZSXSAUBLVJL-IPMKNSEASA-N 1 3 384.973 3.404 20 0 GGADHO O=S(=O)(CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423145080 566478761 /nfs/dbraw/zinc/47/87/61/566478761.db2.gz IZWZSXSAUBLVJL-GBESFXJTSA-N 1 3 384.973 3.404 20 0 GGADHO Clc1cc(Br)ccc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423142655 566478874 /nfs/dbraw/zinc/47/88/74/566478874.db2.gz AZBRTDAVAPVEQR-DJIMGWMZSA-N 1 3 387.749 3.392 20 0 GGADHO Brc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423144331 566478975 /nfs/dbraw/zinc/47/89/75/566478975.db2.gz YQPZQAOLEVMNHF-XFUTXVRSSA-N 1 3 379.342 3.442 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)c(Br)c1 ZINC000423164833 566480393 /nfs/dbraw/zinc/48/03/93/566480393.db2.gz SYEWOQJUQLZYEZ-OSGQAZFXSA-N 1 3 399.348 3.250 20 0 GGADHO Brc1cccc([C@H](NCCCN2CC[NH2+]CC2)c2ccccc2)c1 ZINC000423179642 566480452 /nfs/dbraw/zinc/48/04/52/566480452.db2.gz HTMRWFHIOWNEGH-HXUWFJFHSA-N 1 3 388.353 3.423 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)c(Br)c1 ZINC000423164835 566480672 /nfs/dbraw/zinc/48/06/72/566480672.db2.gz SYEWOQJUQLZYEZ-QGWWYQLQSA-N 1 3 399.348 3.250 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1cc(Br)ccc1F ZINC000423165706 566480984 /nfs/dbraw/zinc/48/09/84/566480984.db2.gz URIDPXQEZCOEHO-PTKHLAPESA-N 1 3 399.348 3.250 20 0 GGADHO Cc1c([C@@H](C)NC2CCC([NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000423206373 566481813 /nfs/dbraw/zinc/48/18/13/566481813.db2.gz BWQUWMQAINTVBE-VCANKDNSSA-N 1 3 378.318 3.259 20 0 GGADHO Cc1c([C@@H](C)NCCN2CC[NH2+]CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423209521 566482901 /nfs/dbraw/zinc/48/29/01/566482901.db2.gz VAOYCALOYKYRAY-CYBMUJFWSA-N 1 3 382.339 3.043 20 0 GGADHO Cc1c([C@H](C)NCC[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423261948 566483788 /nfs/dbraw/zinc/48/37/88/566483788.db2.gz UBVNJXNQFZDOGW-DZGCQCFKSA-N 1 3 392.345 3.379 20 0 GGADHO Cc1c([C@@H](C)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423261949 566484779 /nfs/dbraw/zinc/48/47/79/566484779.db2.gz UBVNJXNQFZDOGW-HIFRSBDPSA-N 1 3 392.345 3.379 20 0 GGADHO Cc1c([C@H](C)N[C@H]2CC[C@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423493023 566491107 /nfs/dbraw/zinc/49/11/07/566491107.db2.gz PFDBWRWICCZCEK-WHOFXGATSA-N 1 3 378.318 3.116 20 0 GGADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000578231457 566503781 /nfs/dbraw/zinc/50/37/81/566503781.db2.gz YWQJBDINWLVCEV-BLGPTSCISA-N 1 3 387.325 3.434 20 0 GGADHO Cc1cc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)sc1Br ZINC000512050876 566509172 /nfs/dbraw/zinc/50/91/72/566509172.db2.gz FGTAELLBTWPOTD-CHWSQXEVSA-N 1 3 388.375 3.057 20 0 GGADHO C[C@@H]1CC2(CN1CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC000424286056 566524476 /nfs/dbraw/zinc/52/44/76/566524476.db2.gz GVWREHYVYLXYCH-CQSZACIVSA-N 1 3 384.351 3.416 20 0 GGADHO COc1ccc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c(Br)c1OC ZINC000424285593 566524730 /nfs/dbraw/zinc/52/47/30/566524730.db2.gz FZTMJSDCQMFPQY-CYBMUJFWSA-N 1 3 383.330 3.430 20 0 GGADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2cc(F)cc(Br)c2)C1 ZINC000449233889 566538522 /nfs/dbraw/zinc/53/85/22/566538522.db2.gz NVAOJQLHWXTSJH-IBGZPJMESA-N 1 3 393.300 3.445 20 0 GGADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2cc(F)cc(Br)c2)C1 ZINC000449233889 566538532 /nfs/dbraw/zinc/53/85/32/566538532.db2.gz NVAOJQLHWXTSJH-IBGZPJMESA-N 1 3 393.300 3.445 20 0 GGADHO CC[NH+](CC)CCOCCNCc1ccnc2c(Br)cccc12 ZINC000449236536 566540402 /nfs/dbraw/zinc/54/04/02/566540402.db2.gz KFNAIQQYDKEYOV-UHFFFAOYSA-N 1 3 380.330 3.445 20 0 GGADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3cccc(Br)c3)C2)C1 ZINC000559311893 566540521 /nfs/dbraw/zinc/54/05/21/566540521.db2.gz PGKACPRCDLLXFJ-SFHVURJKSA-N 1 3 380.330 3.195 20 0 GGADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3cccc(Br)c3)C2)C1 ZINC000559311893 566540527 /nfs/dbraw/zinc/54/05/27/566540527.db2.gz PGKACPRCDLLXFJ-SFHVURJKSA-N 1 3 380.330 3.195 20 0 GGADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000559311305 566540995 /nfs/dbraw/zinc/54/09/95/566540995.db2.gz KMKOFOQJISXLMD-GOSISDBHSA-N 1 3 380.330 3.195 20 0 GGADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000559311305 566541000 /nfs/dbraw/zinc/54/10/00/566541000.db2.gz KMKOFOQJISXLMD-GOSISDBHSA-N 1 3 380.330 3.195 20 0 GGADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538869680 566542268 /nfs/dbraw/zinc/54/22/68/566542268.db2.gz JBODEGLPVCWSLW-LJQANCHMSA-N 1 3 380.374 3.444 20 0 GGADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000673599679 566545544 /nfs/dbraw/zinc/54/55/44/566545544.db2.gz CKMBYRRPBSOSIK-AWEZNQCLSA-N 1 3 386.353 3.135 20 0 GGADHO CC(C)(C)N1CCC([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000513071684 566577546 /nfs/dbraw/zinc/57/75/46/566577546.db2.gz XJWQSKLCAUZGFI-UHFFFAOYSA-N 1 3 396.373 3.422 20 0 GGADHO CC(C)(C)[NH+]1CCC(NCCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000513071684 566577551 /nfs/dbraw/zinc/57/75/51/566577551.db2.gz XJWQSKLCAUZGFI-UHFFFAOYSA-N 1 3 396.373 3.422 20 0 GGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000449603361 566582412 /nfs/dbraw/zinc/58/24/12/566582412.db2.gz VYSVVDMPOQOGAP-KRWDZBQOSA-N 1 3 383.374 3.373 20 0 GGADHO COc1ccc(Br)cc1C[C@H](CO)CNC1CC[NH+](C(C)C)CC1 ZINC000449680686 566591120 /nfs/dbraw/zinc/59/11/20/566591120.db2.gz KJHPLCNTZVZQJC-HNNXBMFYSA-N 1 3 399.373 3.071 20 0 GGADHO COc1ccc(Br)cc1C[C@@H](CO)CNC1CC[NH+](C(C)C)CC1 ZINC000449680687 566591175 /nfs/dbraw/zinc/59/11/75/566591175.db2.gz KJHPLCNTZVZQJC-OAHLLOKOSA-N 1 3 399.373 3.071 20 0 GGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2cc(Br)ccc2OC)CC1 ZINC000449683633 566591322 /nfs/dbraw/zinc/59/13/22/566591322.db2.gz PYAHFTCSBLDJLQ-HNNXBMFYSA-N 1 3 399.373 3.073 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449684990 566592518 /nfs/dbraw/zinc/59/25/18/566592518.db2.gz QSAIBONAXIDRFN-RYQLBKOJSA-N 1 3 381.358 3.125 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449684990 566592521 /nfs/dbraw/zinc/59/25/21/566592521.db2.gz QSAIBONAXIDRFN-RYQLBKOJSA-N 1 3 381.358 3.125 20 0 GGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000449686227 566592850 /nfs/dbraw/zinc/59/28/50/566592850.db2.gz VUWNCXCQBGQBEH-MRXNPFEDSA-N 1 3 383.374 3.373 20 0 GGADHO C[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)[C@H]1CC[NH3+] ZINC000652353995 566605710 /nfs/dbraw/zinc/60/57/10/566605710.db2.gz KARKIISMXPDGRG-WBMJQRKESA-N 1 3 386.309 3.366 20 0 GGADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H]1CCN ZINC000652353995 566605713 /nfs/dbraw/zinc/60/57/13/566605713.db2.gz KARKIISMXPDGRG-WBMJQRKESA-N 1 3 386.309 3.366 20 0 GGADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H]1CCN ZINC000652353995 566605714 /nfs/dbraw/zinc/60/57/14/566605714.db2.gz KARKIISMXPDGRG-WBMJQRKESA-N 1 3 386.309 3.366 20 0 GGADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc(C)c1Br ZINC000579545854 566617618 /nfs/dbraw/zinc/61/76/18/566617618.db2.gz WTGGKMVNHUNCSE-UHFFFAOYSA-N 1 3 385.350 3.023 20 0 GGADHO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533133 566664752 /nfs/dbraw/zinc/66/47/52/566664752.db2.gz ITYGZQYMNVTZNB-VKJFTORMSA-N 1 3 392.341 3.024 20 0 GGADHO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533132 566664856 /nfs/dbraw/zinc/66/48/56/566664856.db2.gz ITYGZQYMNVTZNB-RKVPGOIHSA-N 1 3 392.341 3.024 20 0 GGADHO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CCCN(C)CC[NH+](C)C ZINC000580121543 566666783 /nfs/dbraw/zinc/66/67/83/566666783.db2.gz QWWZFHYOKHCJQT-AWEZNQCLSA-N 1 3 389.371 3.136 20 0 GGADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2)CC1 ZINC000675872771 566668372 /nfs/dbraw/zinc/66/83/72/566668372.db2.gz NYJLWPKWQZXJHO-VQIMIIECSA-N 1 3 378.358 3.195 20 0 GGADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccc(Cl)s3)CC2)CC1 ZINC000561164422 566681171 /nfs/dbraw/zinc/68/11/71/566681171.db2.gz UTWGUIFCYDHYLG-UHFFFAOYSA-N 1 3 383.989 3.257 20 0 GGADHO C[C@H]1CN(CCCC[NH2+]Cc2cn3ccc(Br)cc3n2)C[C@H](C)O1 ZINC000581053816 566746170 /nfs/dbraw/zinc/74/61/70/566746170.db2.gz NLUSKVMNASCYCN-GJZGRUSLSA-N 1 3 395.345 3.076 20 0 GGADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000542152327 566777962 /nfs/dbraw/zinc/77/79/62/566777962.db2.gz SCRIQRWHNMEXGE-IBGZPJMESA-N 1 3 380.374 3.444 20 0 GGADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)Cc1ccccc1Br ZINC000562368491 566785488 /nfs/dbraw/zinc/78/54/88/566785488.db2.gz DRBBHVPEUKKNCU-INIZCTEOSA-N 1 3 381.358 3.064 20 0 GGADHO O=C(CNC1CCN(c2cc[nH+]cc2)CC1)Nc1cccc(Br)c1 ZINC000581704794 566800918 /nfs/dbraw/zinc/80/09/18/566800918.db2.gz NGZKDRLRRTVTCP-UHFFFAOYSA-N 1 3 389.297 3.041 20 0 GGADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cccc4Br)C2)CC1 ZINC000678684628 566812447 /nfs/dbraw/zinc/81/24/47/566812447.db2.gz ASEWKZSQLPIPJZ-AUUYWEPGSA-N 1 3 378.358 3.195 20 0 GGADHO O=C(CCNC1CC[NH+](CC2CC2)CC1)Nc1ccc(Br)cc1 ZINC000542692562 566818747 /nfs/dbraw/zinc/81/87/47/566818747.db2.gz YVVUJTWENOLXLZ-UHFFFAOYSA-N 1 3 380.330 3.242 20 0 GGADHO O=C(CC[NH2+]C1CCN(CC2CC2)CC1)Nc1ccc(Br)cc1 ZINC000542692562 566818757 /nfs/dbraw/zinc/81/87/57/566818757.db2.gz YVVUJTWENOLXLZ-UHFFFAOYSA-N 1 3 380.330 3.242 20 0 GGADHO C[NH2+]CC1CCN(Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000470005731 566837098 /nfs/dbraw/zinc/83/70/98/566837098.db2.gz HOLTYHXHWQAKRM-UHFFFAOYSA-N 1 3 377.330 3.375 20 0 GGADHO O=C(CCNC1CC[NH+](C2CCC2)CC1)Nc1cccc(Br)c1 ZINC000517732960 566844089 /nfs/dbraw/zinc/84/40/89/566844089.db2.gz PENKCOLJCXPQKM-UHFFFAOYSA-N 1 3 380.330 3.384 20 0 GGADHO C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(OCCN(C)C)cc1 ZINC000490397651 566847698 /nfs/dbraw/zinc/84/76/98/566847698.db2.gz IULWNEZUFTYRFG-OAHLLOKOSA-N 1 3 395.345 3.327 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000543079953 566850891 /nfs/dbraw/zinc/85/08/91/566850891.db2.gz QGANVWJYASZKQX-IBGZPJMESA-N 1 3 380.374 3.442 20 0 GGADHO CC[C@@H](NCCC[N@H+](C)CCOC)c1ccc(I)cc1 ZINC000610799196 566865811 /nfs/dbraw/zinc/86/58/11/566865811.db2.gz IYQJLZBPQDGLLX-MRXNPFEDSA-N 1 3 390.309 3.300 20 0 GGADHO CC[C@@H](NCCC[N@@H+](C)CCOC)c1ccc(I)cc1 ZINC000610799196 566865817 /nfs/dbraw/zinc/86/58/17/566865817.db2.gz IYQJLZBPQDGLLX-MRXNPFEDSA-N 1 3 390.309 3.300 20 0 GGADHO [NH3+]Cc1ccc(CNCc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000582546330 566874346 /nfs/dbraw/zinc/87/43/46/566874346.db2.gz NMOIQFZENYFMGS-UHFFFAOYSA-N 1 3 377.282 3.359 20 0 GGADHO CC[NH+]1CCC(CNCc2ccc(F)cc2I)CC1 ZINC000563585403 566898325 /nfs/dbraw/zinc/89/83/25/566898325.db2.gz BFUZCYMIYOAPLY-UHFFFAOYSA-N 1 3 376.257 3.252 20 0 GGADHO N[C@H](CC(F)F)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000582965550 566910521 /nfs/dbraw/zinc/91/05/21/566910521.db2.gz RFOPNBPSJFSDNB-OAHLLOKOSA-N 1 3 394.293 3.400 20 0 GGADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)Cc1cc(Br)ccc1F ZINC000519076671 566918017 /nfs/dbraw/zinc/91/80/17/566918017.db2.gz YXQJOBRIVJJQTR-HNNXBMFYSA-N 1 3 399.348 3.203 20 0 GGADHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](N)CC(F)F ZINC000583323134 566941091 /nfs/dbraw/zinc/94/10/91/566941091.db2.gz DKYXSNQRAVIKKQ-CQSZACIVSA-N 1 3 382.282 3.256 20 0 GGADHO C[C@@H](NCCn1cc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519544926 566946471 /nfs/dbraw/zinc/94/64/71/566946471.db2.gz MLFNIRXEOXVXBP-WBVHZDCISA-N 1 3 377.330 3.146 20 0 GGADHO C[C@@H](NCCn1cc(Br)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519544926 566946483 /nfs/dbraw/zinc/94/64/83/566946483.db2.gz MLFNIRXEOXVXBP-WBVHZDCISA-N 1 3 377.330 3.146 20 0 GGADHO C[C@@H](NCCn1cc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519544901 566946924 /nfs/dbraw/zinc/94/69/24/566946924.db2.gz MLFNIRXEOXVXBP-NVXWUHKLSA-N 1 3 377.330 3.146 20 0 GGADHO C[C@@H](NCCn1cc(Br)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519544901 566946932 /nfs/dbraw/zinc/94/69/32/566946932.db2.gz MLFNIRXEOXVXBP-NVXWUHKLSA-N 1 3 377.330 3.146 20 0 GGADHO Brc1ccc(-n2cc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000583499878 566956923 /nfs/dbraw/zinc/95/69/23/566956923.db2.gz DSISWECCWKQWAC-KRWDZBQOSA-N 1 3 389.341 3.456 20 0 GGADHO Cc1cc(Br)cc2c1[C@H]([NH2+]CCCCN1CCN(C)CC1)CC2 ZINC000584208281 567022577 /nfs/dbraw/zinc/02/25/77/567022577.db2.gz FNJJSXMTBMXEIG-GOSISDBHSA-N 1 3 380.374 3.362 20 0 GGADHO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000564988730 567028248 /nfs/dbraw/zinc/02/82/48/567028248.db2.gz OSFCSYXZFCNQJL-QLFBSQMISA-N 1 3 380.330 3.098 20 0 GGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000584345856 567034473 /nfs/dbraw/zinc/03/44/73/567034473.db2.gz FINJZPULZNBDST-GDBMZVCRSA-N 1 3 375.340 3.443 20 0 GGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000584345859 567035139 /nfs/dbraw/zinc/03/51/39/567035139.db2.gz FINJZPULZNBDST-ZBFHGGJFSA-N 1 3 375.340 3.443 20 0 GGADHO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)CCCN(C)CC[NH+](C)C ZINC000565115667 567039591 /nfs/dbraw/zinc/03/95/91/567039591.db2.gz LHBNROQVSRLFAB-CQSZACIVSA-N 1 3 389.371 3.136 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cncc(Br)c2C)[C@@H](C)C1 ZINC000657362344 567052358 /nfs/dbraw/zinc/05/23/58/567052358.db2.gz AJGGCYZRYGGOEO-KSSFIOAISA-N 1 3 384.362 3.379 20 0 GGADHO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CCCN(C)CC[NH+](C)C ZINC000565680732 567089832 /nfs/dbraw/zinc/08/98/32/567089832.db2.gz GSHQLDUNDZMGID-AWEZNQCLSA-N 1 3 389.371 3.136 20 0 GGADHO CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000657833255 567099693 /nfs/dbraw/zinc/09/96/93/567099693.db2.gz QMBHPCHRTQTYAO-GOSISDBHSA-N 1 3 382.390 3.386 20 0 GGADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000566245111 567142373 /nfs/dbraw/zinc/14/23/73/567142373.db2.gz DBHYLAQXMWEHOE-QAPCUYQASA-N 1 3 386.323 3.150 20 0 GGADHO C[C@@H]1CN(CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCCO1 ZINC000432361275 567153478 /nfs/dbraw/zinc/15/34/78/567153478.db2.gz CNICAXBZKHGRKO-OAHLLOKOSA-N 1 3 395.341 3.315 20 0 GGADHO CN(C)CCN1CCC([NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000432537172 567167452 /nfs/dbraw/zinc/16/74/52/567167452.db2.gz UFTZDFUVYVHPHD-UHFFFAOYSA-N 1 3 380.374 3.311 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000566850551 567196179 /nfs/dbraw/zinc/19/61/79/567196179.db2.gz HCEIYWVBBGWZGX-OAHLLOKOSA-N 1 3 382.346 3.488 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000566850551 567196186 /nfs/dbraw/zinc/19/61/86/567196186.db2.gz HCEIYWVBBGWZGX-OAHLLOKOSA-N 1 3 382.346 3.488 20 0 GGADHO CC(C)N1CCC[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000566850551 567196192 /nfs/dbraw/zinc/19/61/92/567196192.db2.gz HCEIYWVBBGWZGX-OAHLLOKOSA-N 1 3 382.346 3.488 20 0 GGADHO CN1CCC(O)(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474798037 567200560 /nfs/dbraw/zinc/20/05/60/567200560.db2.gz WHVBBBBDPZBDIU-UHFFFAOYSA-N 1 3 381.236 3.014 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000567159503 567223120 /nfs/dbraw/zinc/22/31/20/567223120.db2.gz OYCJUUDAWXBUES-KZNAEPCWSA-N 1 3 394.357 3.079 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000567159505 567223615 /nfs/dbraw/zinc/22/36/15/567223615.db2.gz OYCJUUDAWXBUES-RCCFBDPRSA-N 1 3 394.357 3.079 20 0 GGADHO Cc1cc(Br)cc(CNCCOCC[NH+](C)C)c1OC(F)F ZINC000499225019 567230199 /nfs/dbraw/zinc/23/01/99/567230199.db2.gz ZLVULISVMHMTRD-UHFFFAOYSA-N 1 3 381.261 3.027 20 0 GGADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1cccc(Br)c1 ZINC000638706593 567266326 /nfs/dbraw/zinc/26/63/26/567266326.db2.gz GXZFWJSCSDGPTM-AWEZNQCLSA-N 1 3 385.346 3.041 20 0 GGADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1cccc(Br)c1 ZINC000638706594 567266425 /nfs/dbraw/zinc/26/64/25/567266425.db2.gz GXZFWJSCSDGPTM-CQSZACIVSA-N 1 3 385.346 3.041 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000567685052 567266774 /nfs/dbraw/zinc/26/67/74/567266774.db2.gz UUPVCYJZNLBWLG-HNNXBMFYSA-N 1 3 382.346 3.345 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000567685052 567266781 /nfs/dbraw/zinc/26/67/81/567266781.db2.gz UUPVCYJZNLBWLG-HNNXBMFYSA-N 1 3 382.346 3.345 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000567685053 567266917 /nfs/dbraw/zinc/26/69/17/567266917.db2.gz UUPVCYJZNLBWLG-OAHLLOKOSA-N 1 3 382.346 3.345 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000567685053 567266921 /nfs/dbraw/zinc/26/69/21/567266921.db2.gz UUPVCYJZNLBWLG-OAHLLOKOSA-N 1 3 382.346 3.345 20 0 GGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000567681647 567267060 /nfs/dbraw/zinc/26/70/60/567267060.db2.gz XWIXNWSGYYWQSJ-GOEBONIOSA-N 1 3 375.340 3.443 20 0 GGADHO CO[C@H](c1ccc(Br)cc1)[C@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638852930 567274291 /nfs/dbraw/zinc/27/42/91/567274291.db2.gz OMOGOYQXFHJAKW-KSSFIOAISA-N 1 3 399.373 3.350 20 0 GGADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567894642 567288497 /nfs/dbraw/zinc/28/84/97/567288497.db2.gz KZBCDVHWIBPOPW-JKSUJKDBSA-N 1 3 384.351 3.273 20 0 GGADHO CN(C)CCN(C)CCC[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000567958781 567293363 /nfs/dbraw/zinc/29/33/63/567293363.db2.gz ZWRBZHFEEWMPJX-UHFFFAOYSA-N 1 3 393.373 3.313 20 0 GGADHO CN(C)CCN(C)CCC[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000567958781 567293367 /nfs/dbraw/zinc/29/33/67/567293367.db2.gz ZWRBZHFEEWMPJX-UHFFFAOYSA-N 1 3 393.373 3.313 20 0 GGADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000527283447 567326823 /nfs/dbraw/zinc/32/68/23/567326823.db2.gz DRTZSTSAWTVPNT-IBGZPJMESA-N 1 3 380.374 3.444 20 0 GGADHO CN1CCN(CC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1(C)C ZINC000568664742 567346265 /nfs/dbraw/zinc/34/62/65/567346265.db2.gz RULFSHQMWQOWNU-UHFFFAOYSA-N 1 3 380.330 3.311 20 0 GGADHO CCN(CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435623424 567379984 /nfs/dbraw/zinc/37/99/84/567379984.db2.gz CNYVAYWBSNDAFF-CQSZACIVSA-N 1 3 386.309 3.381 20 0 GGADHO CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCCNCC1 ZINC000435623424 567379988 /nfs/dbraw/zinc/37/99/88/567379988.db2.gz CNYVAYWBSNDAFF-CQSZACIVSA-N 1 3 386.309 3.381 20 0 GGADHO CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCCNCC1 ZINC000435623424 567379992 /nfs/dbraw/zinc/37/99/92/567379992.db2.gz CNYVAYWBSNDAFF-CQSZACIVSA-N 1 3 386.309 3.381 20 0 GGADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000501469675 567391711 /nfs/dbraw/zinc/39/17/11/567391711.db2.gz WDAVZAHIQUMOMU-QMTHXVAHSA-N 1 3 378.685 3.374 20 0 GGADHO Clc1ccc(COC2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cc1Cl ZINC000662257844 567421989 /nfs/dbraw/zinc/42/19/89/567421989.db2.gz RYYSVEHGZJHFSS-MRXNPFEDSA-N 1 3 385.335 3.495 20 0 GGADHO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(s2)CCNC3)[C@H]1c1cccs1 ZINC000662474174 567439233 /nfs/dbraw/zinc/43/92/33/567439233.db2.gz UBOUFBWPEBGTDC-ACJLOTCBSA-N 1 3 375.563 3.268 20 0 GGADHO C[N@H+]1CCC[C@H](CNC(=O)c2cc3c(s2)CCNC3)[C@H]1c1cccs1 ZINC000662474174 567439239 /nfs/dbraw/zinc/43/92/39/567439239.db2.gz UBOUFBWPEBGTDC-ACJLOTCBSA-N 1 3 375.563 3.268 20 0 GGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc2c(s1)CCNC2 ZINC000662499652 567441743 /nfs/dbraw/zinc/44/17/43/567441743.db2.gz FZANUCWVRQIBCP-UHFFFAOYSA-N 1 3 377.579 3.440 20 0 GGADHO CCN(CCN1CC[NH2+]CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000569971857 567447565 /nfs/dbraw/zinc/44/75/65/567447565.db2.gz JAMZPLWIBQSPTC-INIZCTEOSA-N 1 3 384.387 3.213 20 0 GGADHO CN1CCN(CCCC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000570156941 567463756 /nfs/dbraw/zinc/46/37/56/567463756.db2.gz BIKYCVPTXNLGKN-UHFFFAOYSA-N 1 3 398.364 3.451 20 0 GGADHO CN(CCCOc1cccc(I)c1)[C@H]1CCC[NH2+]CC1 ZINC000478552454 567467029 /nfs/dbraw/zinc/46/70/29/567467029.db2.gz SPYHQRKJPUMGKY-HNNXBMFYSA-N 1 3 388.293 3.134 20 0 GGADHO CC(C)Sc1cc(Br)ccc1C[NH2+]CC1(O)CCN(C)CC1 ZINC000503574435 567495698 /nfs/dbraw/zinc/49/56/98/567495698.db2.gz RYSXYILJNCEKDD-UHFFFAOYSA-N 1 3 387.387 3.496 20 0 GGADHO C[NH+]1CCC(C)(CNCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000503918496 567513787 /nfs/dbraw/zinc/51/37/87/567513787.db2.gz CELSLKOOVVHOFS-UHFFFAOYSA-N 1 3 377.330 3.456 20 0 GGADHO Cc1nc2cc(Cl)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc2s1 ZINC000571122641 567539509 /nfs/dbraw/zinc/53/95/09/567539509.db2.gz OQQFJAAWFGLCDL-UHFFFAOYSA-N 1 3 383.949 3.215 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(Br)cc1C ZINC000505791557 567597082 /nfs/dbraw/zinc/59/70/82/567597082.db2.gz YFSDJYIBNNHUBM-QGZVFWFLSA-N 1 3 396.373 3.246 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(Br)cc1C ZINC000505791557 567597086 /nfs/dbraw/zinc/59/70/86/567597086.db2.gz YFSDJYIBNNHUBM-QGZVFWFLSA-N 1 3 396.373 3.246 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Br)c2ccccc2c1 ZINC000645311425 567618225 /nfs/dbraw/zinc/61/82/25/567618225.db2.gz MYXDOJNRKRWVAI-UHFFFAOYSA-N 1 3 392.341 3.168 20 0 GGADHO C[C@H]([NH3+])C1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000572763814 567662718 /nfs/dbraw/zinc/66/27/18/567662718.db2.gz BBFDAENDDAXBDG-ZDUSSCGKSA-N 1 3 375.314 3.465 20 0 GGADHO COC(=O)c1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000597248470 567691834 /nfs/dbraw/zinc/69/18/34/567691834.db2.gz WYCZBLWSPWGVML-UHFFFAOYSA-N 1 3 395.341 3.447 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(Br)ccc1C ZINC000460906682 567709113 /nfs/dbraw/zinc/70/91/13/567709113.db2.gz DDOMTPUFXZLKKP-KRWDZBQOSA-N 1 3 396.373 3.246 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(Br)ccc1C ZINC000460906682 567709115 /nfs/dbraw/zinc/70/91/15/567709115.db2.gz DDOMTPUFXZLKKP-KRWDZBQOSA-N 1 3 396.373 3.246 20 0 GGADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442860500 567712510 /nfs/dbraw/zinc/71/25/10/567712510.db2.gz BSGPROICVFDZQL-CQSZACIVSA-N 1 3 386.353 3.135 20 0 GGADHO CN1CCN(CC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1(C)C ZINC000442880364 567713975 /nfs/dbraw/zinc/71/39/75/567713975.db2.gz XLUKTEAUYFODEC-GOSISDBHSA-N 1 3 380.374 3.442 20 0 GGADHO Cc1cc(Br)cc2c1[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CC2 ZINC000442878634 567714058 /nfs/dbraw/zinc/71/40/58/567714058.db2.gz UEWUTVGAOOAYMZ-KRWDZBQOSA-N 1 3 380.374 3.360 20 0 GGADHO COc1cc(CN[C@@H]2CC23CC[NH2+]CC3)cc(Br)c1OC(F)F ZINC000666952262 567714017 /nfs/dbraw/zinc/71/40/17/567714017.db2.gz NEHPOKZVJKISDA-CYBMUJFWSA-N 1 3 391.256 3.291 20 0 GGADHO CN1CCN(CC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1(C)C ZINC000442869700 567714351 /nfs/dbraw/zinc/71/43/51/567714351.db2.gz FBCYOFGCUPXBCU-QGZVFWFLSA-N 1 3 396.373 3.278 20 0 GGADHO Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666952350 567714542 /nfs/dbraw/zinc/71/45/42/567714542.db2.gz SMAZGBNPFRQOKJ-QGZVFWFLSA-N 1 3 375.314 3.175 20 0 GGADHO CN1CCN(CC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1(C)C ZINC000442880367 567714580 /nfs/dbraw/zinc/71/45/80/567714580.db2.gz XLUKTEAUYFODEC-SFHVURJKSA-N 1 3 380.374 3.442 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995133 567716783 /nfs/dbraw/zinc/71/67/83/567716783.db2.gz DRJJDSOQHIUCGO-BBRMVZONSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995133 567716787 /nfs/dbraw/zinc/71/67/87/567716787.db2.gz DRJJDSOQHIUCGO-BBRMVZONSA-N 1 3 380.330 3.431 20 0 GGADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000574080947 567755109 /nfs/dbraw/zinc/75/51/09/567755109.db2.gz BEUDSJZDZYHKMP-GJZGRUSLSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000574080947 567755113 /nfs/dbraw/zinc/75/51/13/567755113.db2.gz BEUDSJZDZYHKMP-GJZGRUSLSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000574080947 567755121 /nfs/dbraw/zinc/75/51/21/567755121.db2.gz BEUDSJZDZYHKMP-GJZGRUSLSA-N 1 3 382.346 3.486 20 0 GGADHO C[N@H+](C[C@@H](O)CNCC1(c2ccc(Br)cc2Cl)CC1)C1CC1 ZINC000574445365 567779320 /nfs/dbraw/zinc/77/93/20/567779320.db2.gz ZSXBKWBCPIYTQM-AWEZNQCLSA-N 1 3 387.749 3.179 20 0 GGADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccc(Br)cc2Cl)CC1)C1CC1 ZINC000574445365 567779323 /nfs/dbraw/zinc/77/93/23/567779323.db2.gz ZSXBKWBCPIYTQM-AWEZNQCLSA-N 1 3 387.749 3.179 20 0 GGADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1OC ZINC000647986878 567809711 /nfs/dbraw/zinc/80/97/11/567809711.db2.gz ILBXBQPZEVYFFN-ZIAGYGMSSA-N 1 3 383.330 3.288 20 0 GGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000647987297 567810043 /nfs/dbraw/zinc/81/00/43/567810043.db2.gz GUOOLGAEIUZNMK-SOUVJXGZSA-N 1 3 384.351 3.492 20 0 GGADHO CC1CCN([C@@H](CNC(=O)NCCC[NH+]2CCCC2)c2cccs2)CC1 ZINC000054042380 1406601381 /nfs/dbraw/zinc/60/13/81/1406601381.db2.gz DWNLIOGNEBNKDT-SFHVURJKSA-N 1 3 378.586 3.306 20 0 GGADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)o1 ZINC000054698740 1406808126 /nfs/dbraw/zinc/80/81/26/1406808126.db2.gz VHKXJYCHIUYUSZ-FPOVZHCZSA-N 1 3 398.551 3.497 20 0 GGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000054718013 1406811814 /nfs/dbraw/zinc/81/18/14/1406811814.db2.gz SIUFLPJPMPBPNY-AVRDEDQJSA-N 1 3 380.536 3.383 20 0 GGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000054720572 1406813088 /nfs/dbraw/zinc/81/30/88/1406813088.db2.gz IXJRVPZRXBVAQW-AVRDEDQJSA-N 1 3 380.536 3.383 20 0 GGADHO CN(CCNC(=O)NCc1ccccc1C[NH+]1CCCC1)Cc1ccccc1 ZINC000054763449 1406820999 /nfs/dbraw/zinc/82/09/99/1406820999.db2.gz PFTSMVWUCAVUCQ-UHFFFAOYSA-N 1 3 380.536 3.214 20 0 GGADHO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000054920670 1406851048 /nfs/dbraw/zinc/85/10/48/1406851048.db2.gz TUFGOKNYXBPPLN-HSZRJFAPSA-N 1 3 392.547 3.356 20 0 GGADHO O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000054920667 1406851279 /nfs/dbraw/zinc/85/12/79/1406851279.db2.gz TUFGOKNYXBPPLN-QHCPKHFHSA-N 1 3 392.547 3.356 20 0 GGADHO CCOc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000027117409 1399985431 /nfs/dbraw/zinc/98/54/31/1399985431.db2.gz JJGQOTLOECXIRK-UHFFFAOYSA-N 1 3 375.557 3.001 20 0 GGADHO COc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)N2CCCC2)cc1 ZINC000043110977 1403710627 /nfs/dbraw/zinc/71/06/27/1403710627.db2.gz KFTRDXAPTVKHQS-NRFANRHFSA-N 1 3 390.572 3.061 20 0 GGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000045756623 1404195866 /nfs/dbraw/zinc/19/58/66/1404195866.db2.gz KEMUWDCIDVODBU-UHFFFAOYSA-N 1 3 384.568 3.229 20 0 GGADHO Cc1ccccc1CN1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000046926594 1404637192 /nfs/dbraw/zinc/63/71/92/1404637192.db2.gz URPMQDBIIFWIFH-UHFFFAOYSA-N 1 3 394.563 3.474 20 0 GGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047301916 1404796094 /nfs/dbraw/zinc/79/60/94/1404796094.db2.gz GMMNGELRDSIWLE-HSZRJFAPSA-N 1 3 377.532 3.289 20 0 GGADHO COc1cccc([C@@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)N2CCCC2)c1 ZINC000047883627 1404982370 /nfs/dbraw/zinc/98/23/70/1404982370.db2.gz OWHGNGUWZHTAFS-OAQYLSRUSA-N 1 3 388.556 3.004 20 0 GGADHO C[C@H](Sc1ccccc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797596 1405654928 /nfs/dbraw/zinc/65/49/28/1405654928.db2.gz DXVXKYZHTZWHHJ-HNNXBMFYSA-N 1 3 396.000 3.495 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)CC1 ZINC000050797757 1405655224 /nfs/dbraw/zinc/65/52/24/1405655224.db2.gz GVGLFHWSPZSBOP-IAGOWNOFSA-N 1 3 375.479 3.030 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000050797433 1405655539 /nfs/dbraw/zinc/65/55/39/1405655539.db2.gz RHIDEVFAHVVADM-PMACEKPBSA-N 1 3 375.944 3.118 20 0 GGADHO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050797719 1405655668 /nfs/dbraw/zinc/65/56/68/1405655668.db2.gz ZEKDKPLEESHLAB-INIZCTEOSA-N 1 3 393.959 3.091 20 0 GGADHO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050797721 1405655791 /nfs/dbraw/zinc/65/57/91/1405655791.db2.gz ZEKDKPLEESHLAB-MRXNPFEDSA-N 1 3 393.959 3.091 20 0 GGADHO Cc1cc(O[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000050797683 1405656543 /nfs/dbraw/zinc/65/65/43/1405656543.db2.gz SOBILGRMMPEZEE-MRXNPFEDSA-N 1 3 393.959 3.091 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4cccc(Cl)c4)CCC3)CC2)CC1 ZINC000050799277 1405656983 /nfs/dbraw/zinc/65/69/83/1405656983.db2.gz RMOVLDJIDLNXRI-UHFFFAOYSA-N 1 3 389.971 3.437 20 0 GGADHO Cc1ccc(C(C)C)c(OCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050800097 1405657579 /nfs/dbraw/zinc/65/75/79/1405657579.db2.gz YBLXFWNUJZCYMW-UHFFFAOYSA-N 1 3 387.568 3.172 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)CC2)CC1 ZINC000050800002 1405658383 /nfs/dbraw/zinc/65/83/83/1405658383.db2.gz MQVIZEVMORRNGE-RBUKOAKNSA-N 1 3 375.944 3.118 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(C4CC4)nc4ccccc43)CC2)CC1 ZINC000050801170 1405658875 /nfs/dbraw/zinc/65/88/75/1405658875.db2.gz LGUUWDXZKDSYFB-UHFFFAOYSA-N 1 3 392.547 3.401 20 0 GGADHO Cc1ccc(S[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801523 1405659184 /nfs/dbraw/zinc/65/91/84/1405659184.db2.gz WQRLWTQYVBNKFI-KRWDZBQOSA-N 1 3 375.582 3.150 20 0 GGADHO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050803104 1405659672 /nfs/dbraw/zinc/65/96/72/1405659672.db2.gz DQENOIJBBTVRTG-HNNXBMFYSA-N 1 3 396.000 3.495 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000050802186 1405659743 /nfs/dbraw/zinc/65/97/43/1405659743.db2.gz NFMCQFFGJOEGCL-UHFFFAOYSA-N 1 3 391.559 3.493 20 0 GGADHO Cc1ccc(S[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801526 1405660416 /nfs/dbraw/zinc/66/04/16/1405660416.db2.gz WQRLWTQYVBNKFI-QGZVFWFLSA-N 1 3 375.582 3.150 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4c5c([nH]c43)CCCC5)CC2)CC1 ZINC000050801381 1405660450 /nfs/dbraw/zinc/66/04/50/1405660450.db2.gz KPFCWLKLIGYKMU-UHFFFAOYSA-N 1 3 394.563 3.335 20 0 GGADHO CC(C)c1ccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051239126 1405752343 /nfs/dbraw/zinc/75/23/43/1405752343.db2.gz DLUJYFDPDVPYOQ-UHFFFAOYSA-N 1 3 386.584 3.210 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000051758620 1405860475 /nfs/dbraw/zinc/86/04/75/1405860475.db2.gz NIDICQMZSKIXOP-UXHICEINSA-N 1 3 378.605 3.449 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000051758623 1405860564 /nfs/dbraw/zinc/86/05/64/1405860564.db2.gz NIDICQMZSKIXOP-WOJBJXKFSA-N 1 3 378.605 3.449 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(c4ccccc4)CCCC3)CC2)CC1 ZINC000051759044 1405860656 /nfs/dbraw/zinc/86/06/56/1405860656.db2.gz FETBQJHIOWRLFI-UHFFFAOYSA-N 1 3 398.595 3.356 20 0 GGADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cc2ccccc2o1 ZINC000051759368 1405860856 /nfs/dbraw/zinc/86/08/56/1405860856.db2.gz CFXXXULGPATUJU-MRXNPFEDSA-N 1 3 384.524 3.352 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3ccc4ccccc4c3)CC2)CC1 ZINC000051760148 1405860996 /nfs/dbraw/zinc/86/09/96/1405860996.db2.gz RYZGMDAVBBVRPB-UHFFFAOYSA-N 1 3 394.563 3.240 20 0 GGADHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000051761397 1405861061 /nfs/dbraw/zinc/86/10/61/1405861061.db2.gz ZHNJDMRJRTUJLP-QGZVFWFLSA-N 1 3 390.547 3.477 20 0 GGADHO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000057705827 1407694275 /nfs/dbraw/zinc/69/42/75/1407694275.db2.gz BYLCPESWLKLWGG-DNVCBOLYSA-N 1 3 383.458 3.040 20 0 GGADHO C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000057705827 1407694284 /nfs/dbraw/zinc/69/42/84/1407694284.db2.gz BYLCPESWLKLWGG-DNVCBOLYSA-N 1 3 383.458 3.040 20 0 GGADHO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000057705822 1407695040 /nfs/dbraw/zinc/69/50/40/1407695040.db2.gz BYLCPESWLKLWGG-HNAYVOBHSA-N 1 3 383.458 3.040 20 0 GGADHO C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000057705822 1407695056 /nfs/dbraw/zinc/69/50/56/1407695056.db2.gz BYLCPESWLKLWGG-HNAYVOBHSA-N 1 3 383.458 3.040 20 0 GGADHO CCOc1ccc(OC[C@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889086 1407746485 /nfs/dbraw/zinc/74/64/85/1407746485.db2.gz QRMMQTWKYZZBEE-OAQYLSRUSA-N 1 3 390.568 3.413 20 0 GGADHO C[N@H+](CCCNC(=O)NCCCN1CCc2ccccc2C1)Cc1ccccc1 ZINC000061501191 1408137916 /nfs/dbraw/zinc/13/79/16/1408137916.db2.gz IVTLXEZXILTKPN-UHFFFAOYSA-N 1 3 394.563 3.256 20 0 GGADHO C[N@@H+](CCCNC(=O)NCCCN1CCc2ccccc2C1)Cc1ccccc1 ZINC000061501191 1408137925 /nfs/dbraw/zinc/13/79/25/1408137925.db2.gz IVTLXEZXILTKPN-UHFFFAOYSA-N 1 3 394.563 3.256 20 0 GGADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000062473660 1408262488 /nfs/dbraw/zinc/26/24/88/1408262488.db2.gz NTCHHTTWZNHFQT-UHFFFAOYSA-N 1 3 378.536 3.208 20 0 GGADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000062473661 1408262804 /nfs/dbraw/zinc/26/28/04/1408262804.db2.gz QMAGADDIGRAKPS-UHFFFAOYSA-N 1 3 396.526 3.347 20 0 GGADHO CCC[NH+]1CCC(N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063150708 1408309243 /nfs/dbraw/zinc/30/92/43/1408309243.db2.gz KNNXDSWBHQFHKN-UHFFFAOYSA-N 1 3 388.625 3.332 20 0 GGADHO C[NH+](C)CCC1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063150518 1408309343 /nfs/dbraw/zinc/30/93/43/1408309343.db2.gz PWWXSIWIKLROLE-UHFFFAOYSA-N 1 3 388.625 3.189 20 0 GGADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063150849 1408310187 /nfs/dbraw/zinc/31/01/87/1408310187.db2.gz IWALCJUMRMAURU-OALUTQOASA-N 1 3 388.625 3.236 20 0 GGADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063150849 1408310194 /nfs/dbraw/zinc/31/01/94/1408310194.db2.gz IWALCJUMRMAURU-OALUTQOASA-N 1 3 388.625 3.236 20 0 GGADHO CC(C)(C)[N@@H+]1CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063566943 1408372939 /nfs/dbraw/zinc/37/29/39/1408372939.db2.gz YHOPSFGGADBRNH-UHFFFAOYSA-N 1 3 388.625 3.332 20 0 GGADHO CC(C)(C)[N@H+]1CCCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063566943 1408372947 /nfs/dbraw/zinc/37/29/47/1408372947.db2.gz YHOPSFGGADBRNH-UHFFFAOYSA-N 1 3 388.625 3.332 20 0 GGADHO Cc1ccc([C@H](CNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)N(C)C)cc1 ZINC000065470222 1408674121 /nfs/dbraw/zinc/67/41/21/1408674121.db2.gz OYXXIMBCZGBFDN-VXKWHMMOSA-N 1 3 382.552 3.070 20 0 GGADHO Cc1ccc(CN2CCCN(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000065541814 1408686639 /nfs/dbraw/zinc/68/66/39/1408686639.db2.gz JNDVPGKSNUUBCO-UHFFFAOYSA-N 1 3 394.563 3.344 20 0 GGADHO Cc1ccc(CN2CCCN(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000065541814 1408686643 /nfs/dbraw/zinc/68/66/43/1408686643.db2.gz JNDVPGKSNUUBCO-UHFFFAOYSA-N 1 3 394.563 3.344 20 0 GGADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000065866310 1408744457 /nfs/dbraw/zinc/74/44/57/1408744457.db2.gz AZKNNCCYLWGVQH-OAQYLSRUSA-N 1 3 383.511 3.416 20 0 GGADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000065909743 1408752729 /nfs/dbraw/zinc/75/27/29/1408752729.db2.gz WUEKDOSERYMZTF-UHFFFAOYSA-N 1 3 394.519 3.425 20 0 GGADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCN(C)Cc1ccccc1 ZINC000067064931 1408997765 /nfs/dbraw/zinc/99/77/65/1408997765.db2.gz NJMRGYXLOLMUQT-UHFFFAOYSA-N 1 3 382.552 3.412 20 0 GGADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000067453119 1409122783 /nfs/dbraw/zinc/12/27/83/1409122783.db2.gz POISJXLYBLCSLS-HUUCEWRRSA-N 1 3 385.346 3.437 20 0 GGADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000067734554 1409217068 /nfs/dbraw/zinc/21/70/68/1409217068.db2.gz RGBBJRIICMHQPQ-OAQYLSRUSA-N 1 3 384.568 3.168 20 0 GGADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000067734554 1409217069 /nfs/dbraw/zinc/21/70/69/1409217069.db2.gz RGBBJRIICMHQPQ-OAQYLSRUSA-N 1 3 384.568 3.168 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000068256467 1409342270 /nfs/dbraw/zinc/34/22/70/1409342270.db2.gz FBNQSYLEYRTEGV-LJQANCHMSA-N 1 3 375.532 3.274 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)c(C)c2)CC1 ZINC000068261224 1409344310 /nfs/dbraw/zinc/34/43/10/1409344310.db2.gz DUEOFIQGCPIWSJ-UHFFFAOYSA-N 1 3 380.536 3.451 20 0 GGADHO CCC[NH+](CCC)CCCC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000068424030 1409398257 /nfs/dbraw/zinc/39/82/57/1409398257.db2.gz NENUDSIWBDKUQA-UHFFFAOYSA-N 1 3 388.600 3.449 20 0 GGADHO CC(C)OCC[NH+]1CCC(NC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000176677217 1428402049 /nfs/dbraw/zinc/40/20/49/1428402049.db2.gz ZHCONXDWOOVUMD-UHFFFAOYSA-N 1 3 387.524 3.114 20 0 GGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068584954 1409445687 /nfs/dbraw/zinc/44/56/87/1409445687.db2.gz ZSLYOZZIYCUYAE-RBUKOAKNSA-N 1 3 378.948 3.040 20 0 GGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068584954 1409445691 /nfs/dbraw/zinc/44/56/91/1409445691.db2.gz ZSLYOZZIYCUYAE-RBUKOAKNSA-N 1 3 378.948 3.040 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000069045511 1409552595 /nfs/dbraw/zinc/55/25/95/1409552595.db2.gz XKMVKCYGBWNWNX-VQTJNVASSA-N 1 3 375.532 3.274 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000069045511 1409552598 /nfs/dbraw/zinc/55/25/98/1409552598.db2.gz XKMVKCYGBWNWNX-VQTJNVASSA-N 1 3 375.532 3.274 20 0 GGADHO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000069047619 1409553541 /nfs/dbraw/zinc/55/35/41/1409553541.db2.gz DEKAPLITTMRABB-IBGZPJMESA-N 1 3 375.532 3.371 20 0 GGADHO CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000069047619 1409553546 /nfs/dbraw/zinc/55/35/46/1409553546.db2.gz DEKAPLITTMRABB-IBGZPJMESA-N 1 3 375.532 3.371 20 0 GGADHO CCN1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000069160368 1409577466 /nfs/dbraw/zinc/57/74/66/1409577466.db2.gz GEWJLUSXUQVZNH-KRWDZBQOSA-N 1 3 384.524 3.070 20 0 GGADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1 ZINC000073108451 1409858332 /nfs/dbraw/zinc/85/83/32/1409858332.db2.gz JTVGSYWTQCPKCY-UHFFFAOYSA-N 1 3 375.463 3.230 20 0 GGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000073722102 1409864630 /nfs/dbraw/zinc/86/46/30/1409864630.db2.gz IFLDEXKAFDSPLK-LJQANCHMSA-N 1 3 386.584 3.197 20 0 GGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000073722102 1409864636 /nfs/dbraw/zinc/86/46/36/1409864636.db2.gz IFLDEXKAFDSPLK-LJQANCHMSA-N 1 3 386.584 3.197 20 0 GGADHO C/C=C/c1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)c(OC)c1 ZINC000073895206 1409866899 /nfs/dbraw/zinc/86/68/99/1409866899.db2.gz VSIREMJOPCXSJD-YJJPMGAVSA-N 1 3 376.541 3.273 20 0 GGADHO C/C=C/c1ccc(OC[C@@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)c(OC)c1 ZINC000073895206 1409866901 /nfs/dbraw/zinc/86/69/01/1409866901.db2.gz VSIREMJOPCXSJD-YJJPMGAVSA-N 1 3 376.541 3.273 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000074847147 1409877028 /nfs/dbraw/zinc/87/70/28/1409877028.db2.gz DAAQYQYPDPWZJE-JOCHJYFZSA-N 1 3 386.584 3.413 20 0 GGADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000074833173 1409877283 /nfs/dbraw/zinc/87/72/83/1409877283.db2.gz GMTJJQWYKGQYOL-IFMALSPDSA-N 1 3 386.584 3.225 20 0 GGADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000074833173 1409877284 /nfs/dbraw/zinc/87/72/84/1409877284.db2.gz GMTJJQWYKGQYOL-IFMALSPDSA-N 1 3 386.584 3.225 20 0 GGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000074854475 1409877537 /nfs/dbraw/zinc/87/75/37/1409877537.db2.gz UELBUIZLSVYVSI-FCHUYYIVSA-N 1 3 384.568 3.024 20 0 GGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000074854475 1409877539 /nfs/dbraw/zinc/87/75/39/1409877539.db2.gz UELBUIZLSVYVSI-FCHUYYIVSA-N 1 3 384.568 3.024 20 0 GGADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000074854478 1409877611 /nfs/dbraw/zinc/87/76/11/1409877611.db2.gz UELBUIZLSVYVSI-FGZHOGPDSA-N 1 3 384.568 3.024 20 0 GGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000074854478 1409877612 /nfs/dbraw/zinc/87/76/12/1409877612.db2.gz UELBUIZLSVYVSI-FGZHOGPDSA-N 1 3 384.568 3.024 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000077811148 1409901930 /nfs/dbraw/zinc/90/19/30/1409901930.db2.gz UNAPDHMOCNOJBK-IRLDBZIGSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000077811148 1409901937 /nfs/dbraw/zinc/90/19/37/1409901937.db2.gz UNAPDHMOCNOJBK-IRLDBZIGSA-N 1 3 386.584 3.413 20 0 GGADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(SC)cc1OC ZINC000078052189 1409907494 /nfs/dbraw/zinc/90/74/94/1409907494.db2.gz LZXBNRWQKNMAQT-HZPDHXFCSA-N 1 3 382.570 3.405 20 0 GGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000079394072 1409973607 /nfs/dbraw/zinc/97/36/07/1409973607.db2.gz WHJWSXIDGVBIHE-NRFANRHFSA-N 1 3 386.584 3.416 20 0 GGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000079394072 1409973629 /nfs/dbraw/zinc/97/36/29/1409973629.db2.gz WHJWSXIDGVBIHE-NRFANRHFSA-N 1 3 386.584 3.416 20 0 GGADHO CC(C)(CNC(=O)N1CCC([NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000079493580 1409978595 /nfs/dbraw/zinc/97/85/95/1409978595.db2.gz OWFUPBYGVDQHNG-UHFFFAOYSA-N 1 3 384.568 3.093 20 0 GGADHO CC[C@@H](CNC(=O)N1CCC([NH+](CC)CC)CC1)N1CCc2ccccc2C1 ZINC000079982771 1409997006 /nfs/dbraw/zinc/99/70/06/1409997006.db2.gz VYHACJIZMCNCIT-NRFANRHFSA-N 1 3 386.584 3.339 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080165719 1410001906 /nfs/dbraw/zinc/00/19/06/1410001906.db2.gz SZOUCCJXDPNBQM-CTNGQTDRSA-N 1 3 384.568 3.309 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080165719 1410001914 /nfs/dbraw/zinc/00/19/14/1410001914.db2.gz SZOUCCJXDPNBQM-CTNGQTDRSA-N 1 3 384.568 3.309 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080165710 1410002229 /nfs/dbraw/zinc/00/22/29/1410002229.db2.gz SZOUCCJXDPNBQM-TZIWHRDSSA-N 1 3 384.568 3.309 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080165710 1410002236 /nfs/dbraw/zinc/00/22/36/1410002236.db2.gz SZOUCCJXDPNBQM-TZIWHRDSSA-N 1 3 384.568 3.309 20 0 GGADHO O=C(NC1CCCCC1)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000089639850 1410055421 /nfs/dbraw/zinc/05/54/21/1410055421.db2.gz MATNFFOCSTYWMH-UHFFFAOYSA-N 1 3 376.589 3.490 20 0 GGADHO COc1cc(C)c([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090526321 1410064220 /nfs/dbraw/zinc/06/42/20/1410064220.db2.gz FBNLTXAIYNSYTF-AHRSYUTCSA-N 1 3 376.541 3.431 20 0 GGADHO COCc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)ccc1OC ZINC000090525208 1410064321 /nfs/dbraw/zinc/06/43/21/1410064321.db2.gz CMEBJXYCSUCIHD-NDXORKPFSA-N 1 3 376.541 3.260 20 0 GGADHO COc1ccc(-c2n[nH]cc2CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000092587567 1410176308 /nfs/dbraw/zinc/17/63/08/1410176308.db2.gz PDGCIOQZTQECJA-QZTJIDSGSA-N 1 3 398.551 3.407 20 0 GGADHO COCCCOc1cccc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587587 1410176515 /nfs/dbraw/zinc/17/65/15/1410176515.db2.gz FNJTYFHDZMGKAJ-PMACEKPBSA-N 1 3 390.568 3.423 20 0 GGADHO COCCCOc1cccc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587587 1410176524 /nfs/dbraw/zinc/17/65/24/1410176524.db2.gz FNJTYFHDZMGKAJ-PMACEKPBSA-N 1 3 390.568 3.423 20 0 GGADHO COCCOc1ccccc1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587426 1410176631 /nfs/dbraw/zinc/17/66/31/1410176631.db2.gz YBOJEDIMUHDNGB-OALUTQOASA-N 1 3 376.541 3.033 20 0 GGADHO COCCOc1cccc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000092587096 1410176658 /nfs/dbraw/zinc/17/66/58/1410176658.db2.gz YZEBHIDOXGYEQP-RTBURBONSA-N 1 3 376.541 3.033 20 0 GGADHO COCCOc1cccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000092587096 1410176667 /nfs/dbraw/zinc/17/66/67/1410176667.db2.gz YZEBHIDOXGYEQP-RTBURBONSA-N 1 3 376.541 3.033 20 0 GGADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(F)c(-c3cccs3)c2)CC1 ZINC000092615641 1410180320 /nfs/dbraw/zinc/18/03/20/1410180320.db2.gz SEEGBWAAFFFHKM-UHFFFAOYSA-N 1 3 389.540 3.444 20 0 GGADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000092615872 1410180475 /nfs/dbraw/zinc/18/04/75/1410180475.db2.gz QJLPZJXEMCRZBK-UHFFFAOYSA-N 1 3 389.927 3.490 20 0 GGADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](CNc3ccccn3)C2)CC1 ZINC000092812798 1410203376 /nfs/dbraw/zinc/20/33/76/1410203376.db2.gz QCNWLBZKYRSXMQ-HXUWFJFHSA-N 1 3 379.552 3.158 20 0 GGADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](CNc3ccccn3)C2)CC1 ZINC000092812798 1410203387 /nfs/dbraw/zinc/20/33/87/1410203387.db2.gz QCNWLBZKYRSXMQ-HXUWFJFHSA-N 1 3 379.552 3.158 20 0 GGADHO COc1ccc([C@@H](CO)N(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000093415833 1410244490 /nfs/dbraw/zinc/24/44/90/1410244490.db2.gz HRASEYAEPWAVRX-HSZRJFAPSA-N 1 3 384.520 3.335 20 0 GGADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ccc(N4CCCC4)nc3)CC2)C[C@H](C)O1 ZINC000093844295 1410275187 /nfs/dbraw/zinc/27/51/87/1410275187.db2.gz VJCSDPNNTUFWAT-BGYRXZFFSA-N 1 3 386.584 3.393 20 0 GGADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3ccc(N4CCCC4)nc3)CC2)C[C@H](C)O1 ZINC000093844295 1410275193 /nfs/dbraw/zinc/27/51/93/1410275193.db2.gz VJCSDPNNTUFWAT-BGYRXZFFSA-N 1 3 386.584 3.393 20 0 GGADHO C[C@H]1C[NH+](CCC2CCN(Cc3ccc(N4CCCC4)nc3)CC2)C[C@H](C)O1 ZINC000093844296 1410275408 /nfs/dbraw/zinc/27/54/08/1410275408.db2.gz VJCSDPNNTUFWAT-PMACEKPBSA-N 1 3 386.584 3.393 20 0 GGADHO COc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000097357164 1410365824 /nfs/dbraw/zinc/36/58/24/1410365824.db2.gz RCHJRBHKETWSBC-RXVVDRJESA-N 1 3 388.556 3.006 20 0 GGADHO CN(C)[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000097337197 1410365927 /nfs/dbraw/zinc/36/59/27/1410365927.db2.gz VJONCTFWQRWGNJ-FCHUYYIVSA-N 1 3 380.536 3.426 20 0 GGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000097395151 1410368755 /nfs/dbraw/zinc/36/87/55/1410368755.db2.gz AQZSZWMHTZMWCK-RZUBCFFCSA-N 1 3 388.600 3.217 20 0 GGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000097395151 1410368759 /nfs/dbraw/zinc/36/87/59/1410368759.db2.gz AQZSZWMHTZMWCK-RZUBCFFCSA-N 1 3 388.600 3.217 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000101592286 1410474646 /nfs/dbraw/zinc/47/46/46/1410474646.db2.gz TUVQQNILLJNHMP-FQEVSTJZSA-N 1 3 395.595 3.341 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000101995899 1410539812 /nfs/dbraw/zinc/53/98/12/1410539812.db2.gz UGAITTBPUYHERP-HXUWFJFHSA-N 1 3 390.959 3.185 20 0 GGADHO Cc1cccc(C(C)(C)CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000102009003 1410542975 /nfs/dbraw/zinc/54/29/75/1410542975.db2.gz BXXISWCHQBBPIO-UHFFFAOYSA-N 1 3 386.584 3.130 20 0 GGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)c1ccccc1 ZINC000102807152 1410770638 /nfs/dbraw/zinc/77/06/38/1410770638.db2.gz ZFFLUYFXYONCJS-SFHVURJKSA-N 1 3 386.584 3.211 20 0 GGADHO Cc1ccccc1CC(C)(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000102905276 1410805946 /nfs/dbraw/zinc/80/59/46/1410805946.db2.gz YDJOGJOTJLDABV-UHFFFAOYSA-N 1 3 386.584 3.174 20 0 GGADHO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000103291051 1410842955 /nfs/dbraw/zinc/84/29/55/1410842955.db2.gz DVXKLQSLDRZQDD-IBGZPJMESA-N 1 3 390.597 3.131 20 0 GGADHO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000103291051 1410842956 /nfs/dbraw/zinc/84/29/56/1410842956.db2.gz DVXKLQSLDRZQDD-IBGZPJMESA-N 1 3 390.597 3.131 20 0 GGADHO C[NH+](C)CC(C)(C)CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000104213896 1410887373 /nfs/dbraw/zinc/88/73/73/1410887373.db2.gz FSHFLJYJPIYKSK-IBGZPJMESA-N 1 3 385.474 3.145 20 0 GGADHO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000105126186 1411031810 /nfs/dbraw/zinc/03/18/10/1411031810.db2.gz WBARUAPVIRULDL-SIKLNZKXSA-N 1 3 386.584 3.243 20 0 GGADHO CC[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000105126186 1411031821 /nfs/dbraw/zinc/03/18/21/1411031821.db2.gz WBARUAPVIRULDL-SIKLNZKXSA-N 1 3 386.584 3.243 20 0 GGADHO CCOc1c(Cl)cc(C[NH2+]C[C@H](C)CN2CCN(CC)CC2)cc1OC ZINC000105442372 1411067601 /nfs/dbraw/zinc/06/76/01/1411067601.db2.gz LYKOTVKEIPNVMZ-INIZCTEOSA-N 1 3 383.964 3.111 20 0 GGADHO Cc1nc(C)c([C@@H](C)N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000106551028 1411243332 /nfs/dbraw/zinc/24/33/32/1411243332.db2.gz OKZRNYOVWSPXEY-OAHLLOKOSA-N 1 3 393.601 3.021 20 0 GGADHO CC(C)Oc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420590 1411496276 /nfs/dbraw/zinc/49/62/76/1411496276.db2.gz ZPGLAGMPLJTUIB-JOCHJYFZSA-N 1 3 395.547 3.461 20 0 GGADHO CC(C)Oc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420590 1411496279 /nfs/dbraw/zinc/49/62/79/1411496279.db2.gz ZPGLAGMPLJTUIB-JOCHJYFZSA-N 1 3 395.547 3.461 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ccc4ncccc4c3)c2)C1 ZINC000108420843 1411496422 /nfs/dbraw/zinc/49/64/22/1411496422.db2.gz MIBYQGOJBOCFRC-QFIPXVFZSA-N 1 3 388.515 3.222 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc4ncccc4c3)c2)C1 ZINC000108420843 1411496436 /nfs/dbraw/zinc/49/64/36/1411496436.db2.gz MIBYQGOJBOCFRC-QFIPXVFZSA-N 1 3 388.515 3.222 20 0 GGADHO COc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)cc(Br)c1OC(F)F ZINC000108428150 1411497954 /nfs/dbraw/zinc/49/79/54/1411497954.db2.gz LTZMDKQABKVCAA-NSHDSACASA-N 1 3 393.272 3.491 20 0 GGADHO C[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)C[NH+]1CCCCC1 ZINC000108484857 1411516967 /nfs/dbraw/zinc/51/69/67/1411516967.db2.gz UNIFRGXXGNPGGL-MSOLQXFVSA-N 1 3 378.586 3.306 20 0 GGADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000108541059 1411533663 /nfs/dbraw/zinc/53/36/63/1411533663.db2.gz UYVUXMLQNIJLIP-QZTJIDSGSA-N 1 3 378.586 3.162 20 0 GGADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000108541059 1411533675 /nfs/dbraw/zinc/53/36/75/1411533675.db2.gz UYVUXMLQNIJLIP-QZTJIDSGSA-N 1 3 378.586 3.162 20 0 GGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000109014904 1411661519 /nfs/dbraw/zinc/66/15/19/1411661519.db2.gz XJUXHTDWBKZYLH-FYYLOGMGSA-N 1 3 395.522 3.428 20 0 GGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000109014904 1411661530 /nfs/dbraw/zinc/66/15/30/1411661530.db2.gz XJUXHTDWBKZYLH-FYYLOGMGSA-N 1 3 395.522 3.428 20 0 GGADHO CN(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000109339903 1411744488 /nfs/dbraw/zinc/74/44/88/1411744488.db2.gz MUOVOAQYHMHEFD-IFMALSPDSA-N 1 3 383.511 3.457 20 0 GGADHO CN(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000109339903 1411744494 /nfs/dbraw/zinc/74/44/94/1411744494.db2.gz MUOVOAQYHMHEFD-IFMALSPDSA-N 1 3 383.511 3.457 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)cc2)CC1 ZINC000109900340 1411817454 /nfs/dbraw/zinc/81/74/54/1411817454.db2.gz FRYBBSKZHZDDBG-FQEVSTJZSA-N 1 3 386.584 3.067 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000109903300 1411817679 /nfs/dbraw/zinc/81/76/79/1411817679.db2.gz VXHSVBDBVAVWFZ-HXUWFJFHSA-N 1 3 386.584 3.069 20 0 GGADHO CC[C@@H](Sc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000110674671 1411863457 /nfs/dbraw/zinc/86/34/57/1411863457.db2.gz SABILLHYAVIHMF-HXUWFJFHSA-N 1 3 375.582 3.232 20 0 GGADHO C[C@H]1CN(CC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000112631658 1412182728 /nfs/dbraw/zinc/18/27/28/1412182728.db2.gz WVUGYDLBGNIDRB-ROUUACIJSA-N 1 3 384.524 3.100 20 0 GGADHO CN(CC[NH+]1CCCC1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000112749579 1412210436 /nfs/dbraw/zinc/21/04/36/1412210436.db2.gz IVOJWYHRUIDZLK-UHFFFAOYSA-N 1 3 392.975 3.289 20 0 GGADHO CCCN1CCCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000113234735 1412279358 /nfs/dbraw/zinc/27/93/58/1412279358.db2.gz CJWLPPUXFXYUNM-PZJWPPBQSA-N 1 3 387.568 3.267 20 0 GGADHO Cc1ccc(C[C@H]2CCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000113388619 1412303041 /nfs/dbraw/zinc/30/30/41/1412303041.db2.gz KUBMROWXXSJLQH-HSZRJFAPSA-N 1 3 398.595 3.270 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3[C@@H]4CC[C@H]3C[N@H+](CC)CC4)c(C)c2)CC1 ZINC000177248491 1428650056 /nfs/dbraw/zinc/65/00/56/1428650056.db2.gz OWEIXQMXRYNZOE-CTNGQTDRSA-N 1 3 399.583 3.227 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3[C@@H]4CC[C@H]3C[N@@H+](CC)CC4)c(C)c2)CC1 ZINC000177248491 1428650057 /nfs/dbraw/zinc/65/00/57/1428650057.db2.gz OWEIXQMXRYNZOE-CTNGQTDRSA-N 1 3 399.583 3.227 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3[C@@H]4CC[C@H]3CC[N@@H+](CC)C4)c(C)c2)CC1 ZINC000177248477 1428650703 /nfs/dbraw/zinc/65/07/03/1428650703.db2.gz OWEIXQMXRYNZOE-PZJWPPBQSA-N 1 3 399.583 3.227 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3[C@@H]4CC[C@H]3CC[N@H+](CC)C4)c(C)c2)CC1 ZINC000177248477 1428650711 /nfs/dbraw/zinc/65/07/11/1428650711.db2.gz OWEIXQMXRYNZOE-PZJWPPBQSA-N 1 3 399.583 3.227 20 0 GGADHO CC(C)[NH+]1CCC(NC(=O)CN(Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC000114456418 1412436894 /nfs/dbraw/zinc/43/68/94/1412436894.db2.gz NXVPFFUNQFHUNI-UHFFFAOYSA-N 1 3 399.579 3.355 20 0 GGADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000115640097 1412741418 /nfs/dbraw/zinc/74/14/18/1412741418.db2.gz RGZAAEOFNNGMJX-YLJYHZDGSA-N 1 3 376.545 3.007 20 0 GGADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000115640097 1412741430 /nfs/dbraw/zinc/74/14/30/1412741430.db2.gz RGZAAEOFNNGMJX-YLJYHZDGSA-N 1 3 376.545 3.007 20 0 GGADHO CC[NH+]1CCC(NC(=O)CN(CCc2ccc(OC)cc2)CC(C)(C)C)CC1 ZINC000115739358 1412777132 /nfs/dbraw/zinc/77/71/32/1412777132.db2.gz BEGGOOVZTJTEQX-UHFFFAOYSA-N 1 3 389.584 3.186 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC1 ZINC000116338901 1412851191 /nfs/dbraw/zinc/85/11/91/1412851191.db2.gz RIBBGGLYJSADHA-KRWDZBQOSA-N 1 3 389.975 3.104 20 0 GGADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000118756429 1413215523 /nfs/dbraw/zinc/21/55/23/1413215523.db2.gz PZFXBLZBJCCRRL-GOSISDBHSA-N 1 3 379.504 3.397 20 0 GGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000118772036 1413218171 /nfs/dbraw/zinc/21/81/71/1413218171.db2.gz JYJAQFJBCVBMPW-UHFFFAOYSA-N 1 3 387.568 3.178 20 0 GGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000118772036 1413218189 /nfs/dbraw/zinc/21/81/89/1413218189.db2.gz JYJAQFJBCVBMPW-UHFFFAOYSA-N 1 3 387.568 3.178 20 0 GGADHO C[NH+](C)CCC1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000118868235 1413254912 /nfs/dbraw/zinc/25/49/12/1413254912.db2.gz ZLVDXMPWBBSCBX-UHFFFAOYSA-N 1 3 397.445 3.184 20 0 GGADHO CCOc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc(Br)c1OC ZINC000119412447 1413438664 /nfs/dbraw/zinc/43/86/64/1413438664.db2.gz SCMRVJMLUWFWOZ-ZDUSSCGKSA-N 1 3 383.330 3.430 20 0 GGADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@H](N)c1ccccc1 ZINC000119422117 1413442307 /nfs/dbraw/zinc/44/23/07/1413442307.db2.gz QDQZRZUYKPQWOT-SFHVURJKSA-N 1 3 379.508 3.407 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)cc2)CC1 ZINC000177437408 1428736654 /nfs/dbraw/zinc/73/66/54/1428736654.db2.gz NFQXWGCQAVCVDP-UHFFFAOYSA-N 1 3 398.595 3.354 20 0 GGADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000119851662 1413593830 /nfs/dbraw/zinc/59/38/30/1413593830.db2.gz MDHJBYAZUWWZNM-UHFFFAOYSA-N 1 3 376.589 3.443 20 0 GGADHO Cc1cccc(OC(F)F)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120090161 1413683871 /nfs/dbraw/zinc/68/38/71/1413683871.db2.gz IBSKYHSHXUPRRC-UHFFFAOYSA-N 1 3 396.482 3.277 20 0 GGADHO C[C@H]1OCC[C@@H]1[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000120122644 1413696177 /nfs/dbraw/zinc/69/61/77/1413696177.db2.gz QYHXCVLWHDOWJB-APWZRJJASA-N 1 3 385.474 3.375 20 0 GGADHO C[C@@H]1OCC[C@@H]1[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000120122798 1413696271 /nfs/dbraw/zinc/69/62/71/1413696271.db2.gz QYHXCVLWHDOWJB-LPHOPBHVSA-N 1 3 385.474 3.375 20 0 GGADHO COc1cccc([C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N2CCCC2)c1 ZINC000120123349 1413696334 /nfs/dbraw/zinc/69/63/34/1413696334.db2.gz WGGJUHZLQBBYLK-FXAWDEMLSA-N 1 3 390.572 3.108 20 0 GGADHO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120177715 1413719770 /nfs/dbraw/zinc/71/97/70/1413719770.db2.gz PQKNYALEEBMZMB-UHFFFAOYSA-N 1 3 388.943 3.418 20 0 GGADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1OC(C)C ZINC000120190028 1413724338 /nfs/dbraw/zinc/72/43/38/1413724338.db2.gz VFDLRXIIUKDGQZ-UHFFFAOYSA-N 1 3 388.556 3.462 20 0 GGADHO CCOc1cc(Cl)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120271887 1413762741 /nfs/dbraw/zinc/76/27/41/1413762741.db2.gz JROSSFRQVNASPB-UHFFFAOYSA-N 1 3 394.947 3.419 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C[C@@H](C)O1 ZINC000177499375 1428770488 /nfs/dbraw/zinc/77/04/88/1428770488.db2.gz AAKCRAFNEABPKE-RTBURBONSA-N 1 3 398.551 3.490 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)C[C@@H](C)O1 ZINC000177502042 1428772107 /nfs/dbraw/zinc/77/21/07/1428772107.db2.gz KDIJNHDUHWLNCM-WOJBJXKFSA-N 1 3 399.579 3.177 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC000121092369 1414004718 /nfs/dbraw/zinc/00/47/18/1414004718.db2.gz YXJSDVZDRCOXLC-HNNXBMFYSA-N 1 3 377.529 3.273 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000121108588 1414010399 /nfs/dbraw/zinc/01/03/99/1414010399.db2.gz LQEDFDYMVNKBBO-IRXDYDNUSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000121108588 1414010407 /nfs/dbraw/zinc/01/04/07/1414010407.db2.gz LQEDFDYMVNKBBO-IRXDYDNUSA-N 1 3 377.529 3.133 20 0 GGADHO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000121185758 1414037791 /nfs/dbraw/zinc/03/77/91/1414037791.db2.gz IRWTYEPRXPOKAC-UHFFFAOYSA-N 1 3 389.547 3.422 20 0 GGADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cccc(CO)c1 ZINC000121312504 1414080249 /nfs/dbraw/zinc/08/02/49/1414080249.db2.gz AQENFQMDSYVPRD-NRFANRHFSA-N 1 3 381.564 3.428 20 0 GGADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121311842 1414080390 /nfs/dbraw/zinc/08/03/90/1414080390.db2.gz FUDVQJLULICTRO-ZRBLBEILSA-N 1 3 383.580 3.132 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(OC)cc2OC)CC1 ZINC000121351999 1414091974 /nfs/dbraw/zinc/09/19/74/1414091974.db2.gz RPMUDZQXNMLXFR-CVEARBPZSA-N 1 3 383.964 3.281 20 0 GGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000177542536 1428787012 /nfs/dbraw/zinc/78/70/12/1428787012.db2.gz YSMIHXAOMAGOOH-LJQANCHMSA-N 1 3 390.597 3.083 20 0 GGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000177542536 1428787016 /nfs/dbraw/zinc/78/70/16/1428787016.db2.gz YSMIHXAOMAGOOH-LJQANCHMSA-N 1 3 390.597 3.083 20 0 GGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000177542524 1428787209 /nfs/dbraw/zinc/78/72/09/1428787209.db2.gz YSMIHXAOMAGOOH-IBGZPJMESA-N 1 3 390.597 3.083 20 0 GGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000177542524 1428787214 /nfs/dbraw/zinc/78/72/14/1428787214.db2.gz YSMIHXAOMAGOOH-IBGZPJMESA-N 1 3 390.597 3.083 20 0 GGADHO CC(=O)Nc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000177559482 1428793084 /nfs/dbraw/zinc/79/30/84/1428793084.db2.gz PJJCCQVPXLJLDH-UHFFFAOYSA-N 1 3 380.536 3.465 20 0 GGADHO Cc1ccc2cccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2n1 ZINC000121990373 1414333079 /nfs/dbraw/zinc/33/30/79/1414333079.db2.gz UKYVWRPGUGEAEO-UHFFFAOYSA-N 1 3 381.524 3.223 20 0 GGADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122253290 1414401925 /nfs/dbraw/zinc/40/19/25/1414401925.db2.gz PXZFTFXGSICZHR-ROUUACIJSA-N 1 3 377.529 3.162 20 0 GGADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000122359084 1414433865 /nfs/dbraw/zinc/43/38/65/1414433865.db2.gz HFFNGQWVGQBPJH-YKSBVNFPSA-N 1 3 397.563 3.006 20 0 GGADHO CC(=O)c1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000122402163 1414447791 /nfs/dbraw/zinc/44/77/91/1414447791.db2.gz WQCSACXQTISQOW-UHFFFAOYSA-N 1 3 392.931 3.223 20 0 GGADHO C[NH+](C)CCOc1ccccc1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000122864778 1414583992 /nfs/dbraw/zinc/58/39/92/1414583992.db2.gz HWAGLGYPIYLCSS-UHFFFAOYSA-N 1 3 381.520 3.153 20 0 GGADHO C[C@H](CS(=O)(=O)c1ccccc1)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000123155652 1414655771 /nfs/dbraw/zinc/65/57/71/1414655771.db2.gz MZAMXFLZUYTAQW-XEVCZEQESA-N 1 3 378.582 3.482 20 0 GGADHO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC(CCC[NH+](C)C)CC1 ZINC000123414209 1414722489 /nfs/dbraw/zinc/72/24/89/1414722489.db2.gz PNOWSHCVBDKQFL-GOSISDBHSA-N 1 3 384.568 3.269 20 0 GGADHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC(CCC[NH+](C)C)CC1 ZINC000123413986 1414722966 /nfs/dbraw/zinc/72/29/66/1414722966.db2.gz PNOWSHCVBDKQFL-SFHVURJKSA-N 1 3 384.568 3.269 20 0 GGADHO C[C@@H]1CN(CCCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)O1 ZINC000123481935 1414747909 /nfs/dbraw/zinc/74/79/09/1414747909.db2.gz IMZDMBMRHKSNAM-IAGOWNOFSA-N 1 3 387.524 3.114 20 0 GGADHO C[C@H](NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000124724324 1415029748 /nfs/dbraw/zinc/02/97/48/1415029748.db2.gz HFTALSJBELZLOW-QRVBRYPASA-N 1 3 390.535 3.470 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CN1Cc1ccccc1 ZINC000124883506 1415066534 /nfs/dbraw/zinc/06/65/34/1415066534.db2.gz IBKCHXUCGBZINS-PGRDOPGGSA-N 1 3 380.536 3.210 20 0 GGADHO C[C@@H](Cc1cccc(Cl)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000125189416 1415127013 /nfs/dbraw/zinc/12/70/13/1415127013.db2.gz QVIRTNRAEIDLGK-INIZCTEOSA-N 1 3 377.960 3.193 20 0 GGADHO C[C@H](Cc1cccc(Cl)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000125189625 1415127097 /nfs/dbraw/zinc/12/70/97/1415127097.db2.gz QVIRTNRAEIDLGK-MRXNPFEDSA-N 1 3 377.960 3.193 20 0 GGADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000125283047 1415151899 /nfs/dbraw/zinc/15/18/99/1415151899.db2.gz QOXKYSDVWLSAKI-FSSWDIPSSA-N 1 3 386.536 3.441 20 0 GGADHO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000125283047 1415151905 /nfs/dbraw/zinc/15/19/05/1415151905.db2.gz QOXKYSDVWLSAKI-FSSWDIPSSA-N 1 3 386.536 3.441 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)[C@H](C)C1 ZINC000177845682 1428871359 /nfs/dbraw/zinc/87/13/59/1428871359.db2.gz MXERPCXYIDBDHF-KNQAVFIVSA-N 1 3 387.568 3.149 20 0 GGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000177861915 1428876428 /nfs/dbraw/zinc/87/64/28/1428876428.db2.gz MFWNNXADTDSKAD-IRLDBZIGSA-N 1 3 386.584 3.443 20 0 GGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000177861915 1428876430 /nfs/dbraw/zinc/87/64/30/1428876430.db2.gz MFWNNXADTDSKAD-IRLDBZIGSA-N 1 3 386.584 3.443 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(OC)c1 ZINC000125749135 1415269582 /nfs/dbraw/zinc/26/95/82/1415269582.db2.gz BVZLFBFJNZHIIP-IRXDYDNUSA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000125749135 1415269588 /nfs/dbraw/zinc/26/95/88/1415269588.db2.gz BVZLFBFJNZHIIP-IRXDYDNUSA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC000125749135 1415269596 /nfs/dbraw/zinc/26/95/96/1415269596.db2.gz BVZLFBFJNZHIIP-IRXDYDNUSA-N 1 3 377.529 3.131 20 0 GGADHO CN(C)[C@@H](CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccccc1 ZINC000125846351 1415295633 /nfs/dbraw/zinc/29/56/33/1415295633.db2.gz KAFLYWYJTWHSBJ-NRFANRHFSA-N 1 3 384.524 3.188 20 0 GGADHO CN1CCC([NH+]2CCC(NCc3cccc(OCC(F)(F)F)c3)CC2)CC1 ZINC000126026106 1415339740 /nfs/dbraw/zinc/33/97/40/1415339740.db2.gz MOEZJJNKBMGIJU-UHFFFAOYSA-N 1 3 385.474 3.276 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ncc(-c4ccccc4)s3)CC2)CC1 ZINC000126111610 1415360549 /nfs/dbraw/zinc/36/05/49/1415360549.db2.gz DACYOGGPNKXKGY-UHFFFAOYSA-N 1 3 399.564 3.490 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cccc4ccccc43)CC2)CC1 ZINC000126299424 1415410618 /nfs/dbraw/zinc/41/06/18/1415410618.db2.gz XNKCCUVVZVNQOH-UHFFFAOYSA-N 1 3 380.536 3.198 20 0 GGADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000177980103 1428913844 /nfs/dbraw/zinc/91/38/44/1428913844.db2.gz ONNBGRKQYLQZTC-KRWDZBQOSA-N 1 3 389.565 3.286 20 0 GGADHO CNS(=O)(=O)c1ccc([C@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000177980103 1428913854 /nfs/dbraw/zinc/91/38/54/1428913854.db2.gz ONNBGRKQYLQZTC-KRWDZBQOSA-N 1 3 389.565 3.286 20 0 GGADHO Cc1nccn1-c1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cn1 ZINC000126355420 1415425570 /nfs/dbraw/zinc/42/55/70/1415425570.db2.gz PUMRLPZOKADHKP-KRWDZBQOSA-N 1 3 379.508 3.367 20 0 GGADHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000126355648 1415425709 /nfs/dbraw/zinc/42/57/09/1415425709.db2.gz ZBOKNPRANQPEHO-UHFFFAOYSA-N 1 3 389.547 3.300 20 0 GGADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000126679637 1415524672 /nfs/dbraw/zinc/52/46/72/1415524672.db2.gz KCBSBUSRYJRTBA-JOCHJYFZSA-N 1 3 395.547 3.446 20 0 GGADHO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000126679137 1415524809 /nfs/dbraw/zinc/52/48/09/1415524809.db2.gz OWHNETZZGJJUFK-HXUWFJFHSA-N 1 3 397.563 3.310 20 0 GGADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000178036330 1428948643 /nfs/dbraw/zinc/94/86/43/1428948643.db2.gz ZHCFGTWBLAMLJG-AQNXPRMDSA-N 1 3 375.557 3.500 20 0 GGADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cccs2)CC1 ZINC000126775386 1415555304 /nfs/dbraw/zinc/55/53/04/1415555304.db2.gz QSHGJCBEVXYOGH-HKUYNNGSSA-N 1 3 390.597 3.305 20 0 GGADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2cccs2)CC1 ZINC000126775386 1415555312 /nfs/dbraw/zinc/55/53/12/1415555312.db2.gz QSHGJCBEVXYOGH-HKUYNNGSSA-N 1 3 390.597 3.305 20 0 GGADHO C[C@H]1CN(CCCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000178036895 1428949679 /nfs/dbraw/zinc/94/96/79/1428949679.db2.gz QSWMBUKASPVDLH-PMACEKPBSA-N 1 3 391.575 3.312 20 0 GGADHO CN(C)Cc1cccc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000126989030 1415627997 /nfs/dbraw/zinc/62/79/97/1415627997.db2.gz OQBNNDRINZFLCV-UHFFFAOYSA-N 1 3 381.520 3.205 20 0 GGADHO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127480379 1415796711 /nfs/dbraw/zinc/79/67/11/1415796711.db2.gz OIGFNUPNAYQOPR-HNNXBMFYSA-N 1 3 394.510 3.226 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC/C=C/c3ccc(F)cc3)c2)C1 ZINC000127821578 1415857188 /nfs/dbraw/zinc/85/71/88/1415857188.db2.gz NZDXSAIOMSXZMQ-HTXHHYGKSA-N 1 3 381.495 3.326 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC/C=C/c3ccc(F)cc3)c2)C1 ZINC000127821578 1415857191 /nfs/dbraw/zinc/85/71/91/1415857191.db2.gz NZDXSAIOMSXZMQ-HTXHHYGKSA-N 1 3 381.495 3.326 20 0 GGADHO Cc1nn(C)c(Cl)c1CNCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000128106000 1415914286 /nfs/dbraw/zinc/91/42/86/1415914286.db2.gz VJXFYZGSUUBQSR-UHFFFAOYSA-N 1 3 389.975 3.382 20 0 GGADHO C[NH+]1CCN(c2ccc(CNCc3ccc(Br)cc3F)cn2)CC1 ZINC000128400570 1415979521 /nfs/dbraw/zinc/97/95/21/1415979521.db2.gz MNZDAJUXUIPYEL-UHFFFAOYSA-N 1 3 393.304 3.025 20 0 GGADHO COc1cc(CNCCC[NH+]2CCC(O)CC2)c(-c2ccccc2)cc1OC ZINC000128596649 1416021427 /nfs/dbraw/zinc/02/14/27/1416021427.db2.gz RKMOXDMIDJJZNY-UHFFFAOYSA-N 1 3 384.520 3.307 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)c(OC)c1 ZINC000128662175 1416036704 /nfs/dbraw/zinc/03/67/04/1416036704.db2.gz AMBKKDPQGFCYPX-LPHOPBHVSA-N 1 3 377.529 3.131 20 0 GGADHO C[C@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)C(C)(C)C[NH+](C)C ZINC000128962562 1416113948 /nfs/dbraw/zinc/11/39/48/1416113948.db2.gz MWKMDGBGRUEZEQ-KRWDZBQOSA-N 1 3 392.613 3.376 20 0 GGADHO COCCN1[C@H](C)CN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H]1C ZINC000129642106 1416241989 /nfs/dbraw/zinc/24/19/89/1416241989.db2.gz VMXQDSBYLHRVPZ-MZKRTTBSSA-N 1 3 398.547 3.134 20 0 GGADHO CCN1CCN(Cc2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC000129644254 1416242412 /nfs/dbraw/zinc/24/24/12/1416242412.db2.gz XVGOAFQROIIZAU-UHFFFAOYSA-N 1 3 380.536 3.138 20 0 GGADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccc3ncccc3c2)cc1 ZINC000130193306 1416336977 /nfs/dbraw/zinc/33/69/77/1416336977.db2.gz XPUWMWAISURBNQ-UHFFFAOYSA-N 1 3 388.515 3.350 20 0 GGADHO CCOc1cccc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000130196611 1416337365 /nfs/dbraw/zinc/33/73/65/1416337365.db2.gz BRVAPMQHXYRABT-UHFFFAOYSA-N 1 3 381.520 3.201 20 0 GGADHO CN1CCN(Cc2ccc(C[NH2+]Cc3cc(F)cc4cccnc43)cc2)CC1 ZINC000130871758 1416472128 /nfs/dbraw/zinc/47/21/28/1416472128.db2.gz XUUXPYVGKHCNLH-UHFFFAOYSA-N 1 3 378.495 3.411 20 0 GGADHO CCOC(=O)N(C)C1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000130878994 1416474295 /nfs/dbraw/zinc/47/42/95/1416474295.db2.gz CYMBIIJLGBXZGE-UHFFFAOYSA-N 1 3 389.540 3.214 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000130918198 1416481043 /nfs/dbraw/zinc/48/10/43/1416481043.db2.gz QGIIDHPVGUPEFU-LJQANCHMSA-N 1 3 378.561 3.029 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000130918198 1416481050 /nfs/dbraw/zinc/48/10/50/1416481050.db2.gz QGIIDHPVGUPEFU-LJQANCHMSA-N 1 3 378.561 3.029 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c(C)c2)CC1 ZINC000178539255 1429101588 /nfs/dbraw/zinc/10/15/88/1429101588.db2.gz KPPXXVCEEKANDV-SIKLNZKXSA-N 1 3 399.583 3.085 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c(C)c2)CC1 ZINC000178539255 1429101596 /nfs/dbraw/zinc/10/15/96/1429101596.db2.gz KPPXXVCEEKANDV-SIKLNZKXSA-N 1 3 399.583 3.085 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000131086283 1416506564 /nfs/dbraw/zinc/50/65/64/1416506564.db2.gz BOSIYDGWXGTMNR-FGZHOGPDSA-N 1 3 384.568 3.402 20 0 GGADHO C[C@@H]1CCC[C@@](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)([NH+](C)C)C1 ZINC000131765388 1416615572 /nfs/dbraw/zinc/61/55/72/1416615572.db2.gz RXSRRAZKOQOWQU-XMSQKQJNSA-N 1 3 390.572 3.396 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000132072065 1416688292 /nfs/dbraw/zinc/68/82/92/1416688292.db2.gz BTNQWYQFRLQXNP-LJQANCHMSA-N 1 3 395.551 3.038 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000132072065 1416688294 /nfs/dbraw/zinc/68/82/94/1416688294.db2.gz BTNQWYQFRLQXNP-LJQANCHMSA-N 1 3 395.551 3.038 20 0 GGADHO CC(=O)Nc1cccc([C@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000132580099 1416787690 /nfs/dbraw/zinc/78/76/90/1416787690.db2.gz WFPLFFSIOFDVCP-KRWDZBQOSA-N 1 3 381.520 3.453 20 0 GGADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000132808873 1416817407 /nfs/dbraw/zinc/81/74/07/1416817407.db2.gz CZRATIMIUWSYFW-SJORKVTESA-N 1 3 386.540 3.122 20 0 GGADHO C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000132861138 1416824453 /nfs/dbraw/zinc/82/44/53/1416824453.db2.gz NVEFXRXRTFUFDA-QYZOEREBSA-N 1 3 387.572 3.027 20 0 GGADHO C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000132861138 1416824454 /nfs/dbraw/zinc/82/44/54/1416824454.db2.gz NVEFXRXRTFUFDA-QYZOEREBSA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000132881938 1416826796 /nfs/dbraw/zinc/82/67/96/1416826796.db2.gz SCOFXRYFAZLNQF-OALUTQOASA-N 1 3 398.551 3.151 20 0 GGADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000132882308 1416826857 /nfs/dbraw/zinc/82/68/57/1416826857.db2.gz SCOFXRYFAZLNQF-RBUKOAKNSA-N 1 3 398.551 3.151 20 0 GGADHO CN(C(=O)c1ccncc1)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000133235169 1416868651 /nfs/dbraw/zinc/86/86/51/1416868651.db2.gz WCNBSCRQFDTMJY-UHFFFAOYSA-N 1 3 378.520 3.322 20 0 GGADHO Cc1cccc(OC[C@@H](O)CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000133310136 1416877348 /nfs/dbraw/zinc/87/73/48/1416877348.db2.gz XXOGBRMJQLJOSP-QFIPXVFZSA-N 1 3 397.563 3.055 20 0 GGADHO CN(c1ccccc1CNCCNC(=O)CC1CCCC1)C1CC[NH+](C)CC1 ZINC000133604731 1416916765 /nfs/dbraw/zinc/91/67/65/1416916765.db2.gz SFBIZQVDMFTOCE-UHFFFAOYSA-N 1 3 386.584 3.003 20 0 GGADHO C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+]1CCC(C)CC1 ZINC000133883422 1416987827 /nfs/dbraw/zinc/98/78/27/1416987827.db2.gz NSDYFFLTWULFOZ-MOPGFXCFSA-N 1 3 387.572 3.027 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000133887514 1416988740 /nfs/dbraw/zinc/98/87/40/1416988740.db2.gz QSWCYVSBJIUYGQ-GOSISDBHSA-N 1 3 399.535 3.096 20 0 GGADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)C[C@H](C)O1 ZINC000135131054 1417175973 /nfs/dbraw/zinc/17/59/73/1417175973.db2.gz UONBXVQKJSDTHF-PMACEKPBSA-N 1 3 387.568 3.251 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3cccc(Cl)c3)CC2)CC1 ZINC000135424224 1417218214 /nfs/dbraw/zinc/21/82/14/1417218214.db2.gz QSOREEWOESBLCY-UHFFFAOYSA-N 1 3 377.960 3.292 20 0 GGADHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000136586901 1417329699 /nfs/dbraw/zinc/32/96/99/1417329699.db2.gz SQHBBTAVMDWGIQ-MOPGFXCFSA-N 1 3 386.458 3.485 20 0 GGADHO CCN1CCCC[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000136694716 1417339093 /nfs/dbraw/zinc/33/90/93/1417339093.db2.gz AWGPEQBRXRUHLJ-FQEVSTJZSA-N 1 3 393.959 3.174 20 0 GGADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000136780838 1417345902 /nfs/dbraw/zinc/34/59/02/1417345902.db2.gz PUSBTUAIYHENBH-IBGZPJMESA-N 1 3 395.547 3.329 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccsc1 ZINC000136810252 1417347269 /nfs/dbraw/zinc/34/72/69/1417347269.db2.gz RPIGETCCQNBPMJ-BHIYHBOVSA-N 1 3 378.586 3.257 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccsc1 ZINC000136810252 1417347273 /nfs/dbraw/zinc/34/72/73/1417347273.db2.gz RPIGETCCQNBPMJ-BHIYHBOVSA-N 1 3 378.586 3.257 20 0 GGADHO CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000136924294 1417355772 /nfs/dbraw/zinc/35/57/72/1417355772.db2.gz HOZWBQJFKPKCGZ-UHFFFAOYSA-N 1 3 399.501 3.324 20 0 GGADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000178850948 1429195531 /nfs/dbraw/zinc/19/55/31/1429195531.db2.gz ALEDAURMKTVLSV-HNAYVOBHSA-N 1 3 383.458 3.027 20 0 GGADHO CC(C)C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000145615694 1417694424 /nfs/dbraw/zinc/69/44/24/1417694424.db2.gz KUUXEAXAVDTDFM-FQEVSTJZSA-N 1 3 376.614 3.091 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000150768557 1417803631 /nfs/dbraw/zinc/80/36/31/1417803631.db2.gz YIAWGPRFHFCMEZ-QGZVFWFLSA-N 1 3 396.526 3.016 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000150768557 1417803633 /nfs/dbraw/zinc/80/36/33/1417803633.db2.gz YIAWGPRFHFCMEZ-QGZVFWFLSA-N 1 3 396.526 3.016 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000151005668 1417853843 /nfs/dbraw/zinc/85/38/43/1417853843.db2.gz ZJILQSRISMNNPZ-NRFANRHFSA-N 1 3 384.568 3.267 20 0 GGADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000151354321 1417934142 /nfs/dbraw/zinc/93/41/42/1417934142.db2.gz BCVGQFHCBKJUNU-QGZVFWFLSA-N 1 3 376.545 3.058 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H](OC(C)(C)C)c3ccccc3)CC2)CC1 ZINC000151599360 1418036138 /nfs/dbraw/zinc/03/61/38/1418036138.db2.gz OVPUCYBWJXFKCZ-OAQYLSRUSA-N 1 3 387.568 3.218 20 0 GGADHO CS[C@@H]1CCCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000179111130 1429265738 /nfs/dbraw/zinc/26/57/38/1429265738.db2.gz GAYRYKYPNIZQET-OAQYLSRUSA-N 1 3 389.609 3.293 20 0 GGADHO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000179344739 1429336887 /nfs/dbraw/zinc/33/68/87/1429336887.db2.gz XJLZCWGSHAFGKZ-VGSWGCGISA-N 1 3 384.568 3.168 20 0 GGADHO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000179344659 1429337036 /nfs/dbraw/zinc/33/70/36/1429337036.db2.gz XJLZCWGSHAFGKZ-VGOFRKELSA-N 1 3 384.568 3.168 20 0 GGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(C)Cc1ccccc1F ZINC000179390747 1429355566 /nfs/dbraw/zinc/35/55/66/1429355566.db2.gz GMVXXLXIMHSBOB-UHFFFAOYSA-N 1 3 398.526 3.418 20 0 GGADHO C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000179496176 1429394818 /nfs/dbraw/zinc/39/48/18/1429394818.db2.gz LKZXQRITJCZYSQ-XXBNENTESA-N 1 3 395.547 3.469 20 0 GGADHO C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000179496164 1429395276 /nfs/dbraw/zinc/39/52/76/1429395276.db2.gz LKZXQRITJCZYSQ-CVDCTZTESA-N 1 3 395.547 3.469 20 0 GGADHO CC1CC[NH+](C2CCC(NC(=O)N3CCN(C4CCCC4)CC3)CC2)CC1 ZINC000152678782 1422205135 /nfs/dbraw/zinc/20/51/35/1422205135.db2.gz PKKBNCWGXUAQRV-UHFFFAOYSA-N 1 3 376.589 3.299 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@H](C)C1 ZINC000153246348 1422415613 /nfs/dbraw/zinc/41/56/13/1422415613.db2.gz YIHXAJVLCSATDH-QPPBQGQZSA-N 1 3 387.612 3.420 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@H](C)C1 ZINC000153246453 1422415880 /nfs/dbraw/zinc/41/58/80/1422415880.db2.gz YIHXAJVLCSATDH-ZJSXRUAMSA-N 1 3 387.612 3.420 20 0 GGADHO OC[C@H]1CCN(Cc2ccccc2)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000154040811 1422830477 /nfs/dbraw/zinc/83/04/77/1422830477.db2.gz ZXNNEUKISUXWHE-ZJSXRUAMSA-N 1 3 385.596 3.256 20 0 GGADHO CCN1CCN(CCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000154328730 1422873223 /nfs/dbraw/zinc/87/32/23/1422873223.db2.gz JXONAJZYLVPPGD-UHFFFAOYSA-N 1 3 396.982 3.061 20 0 GGADHO Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)c(OCC[NH+](C)C)c1 ZINC000154661659 1422991270 /nfs/dbraw/zinc/99/12/70/1422991270.db2.gz FPIFRIZSCWEBNL-FQEVSTJZSA-N 1 3 384.524 3.360 20 0 GGADHO CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000155674772 1423480125 /nfs/dbraw/zinc/48/01/25/1423480125.db2.gz LAHWUHSBBLJSTC-SFHVURJKSA-N 1 3 398.389 3.469 20 0 GGADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)c1 ZINC000155676361 1423481690 /nfs/dbraw/zinc/48/16/90/1423481690.db2.gz OTJKIHMWAFCMSN-NRFANRHFSA-N 1 3 393.531 3.466 20 0 GGADHO CC(C)N1CCC([NH2+]CCCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000155705180 1423496821 /nfs/dbraw/zinc/49/68/21/1423496821.db2.gz PZAKTHXJZPOLGB-UHFFFAOYSA-N 1 3 378.992 3.315 20 0 GGADHO COc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(CN(C)C)c3)CC2)cc1 ZINC000156004790 1423630588 /nfs/dbraw/zinc/63/05/88/1423630588.db2.gz OHEHCIDVTYAFHO-UHFFFAOYSA-N 1 3 395.547 3.399 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC2)CC1 ZINC000156011032 1423632799 /nfs/dbraw/zinc/63/27/99/1423632799.db2.gz IPZJJSDPVGYAQF-INIZCTEOSA-N 1 3 392.510 3.211 20 0 GGADHO CC[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000156311861 1423771615 /nfs/dbraw/zinc/77/16/15/1423771615.db2.gz NZJIEYDJJOQPFB-DHIUTWEWSA-N 1 3 398.595 3.483 20 0 GGADHO CC1CCN(CCNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000156332917 1423785424 /nfs/dbraw/zinc/78/54/24/1423785424.db2.gz UAKUWUTXKKRGJZ-IFMALSPDSA-N 1 3 386.584 3.413 20 0 GGADHO CC1CCN(CCNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000156332917 1423785435 /nfs/dbraw/zinc/78/54/35/1423785435.db2.gz UAKUWUTXKKRGJZ-IFMALSPDSA-N 1 3 386.584 3.413 20 0 GGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156379134 1423801815 /nfs/dbraw/zinc/80/18/15/1423801815.db2.gz FBNZNZNVNPQDEM-VXKWHMMOSA-N 1 3 384.568 3.483 20 0 GGADHO Cc1cccc2c1CC[C@@H]2NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156895054 1423881936 /nfs/dbraw/zinc/88/19/36/1423881936.db2.gz YVSLQGFYNXWOKC-REWPJTCUSA-N 1 3 377.532 3.469 20 0 GGADHO Cc1cccc2c1CC[C@@H]2NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156895054 1423881937 /nfs/dbraw/zinc/88/19/37/1423881937.db2.gz YVSLQGFYNXWOKC-REWPJTCUSA-N 1 3 377.532 3.469 20 0 GGADHO Cc1ccc2c(c1)[C@@H](NCc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000156938875 1423889824 /nfs/dbraw/zinc/88/98/24/1423889824.db2.gz PFYBIDBZJXSQDT-GMAHTHKFSA-N 1 3 377.532 3.469 20 0 GGADHO Cc1ccc2c(c1)[C@@H](NCc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000156938875 1423889827 /nfs/dbraw/zinc/88/98/27/1423889827.db2.gz PFYBIDBZJXSQDT-GMAHTHKFSA-N 1 3 377.532 3.469 20 0 GGADHO COc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156949600 1423891835 /nfs/dbraw/zinc/89/18/35/1423891835.db2.gz CNPAHJPERKAYOI-UTKZUKDTSA-N 1 3 381.520 3.243 20 0 GGADHO COc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156949600 1423891838 /nfs/dbraw/zinc/89/18/38/1423891838.db2.gz CNPAHJPERKAYOI-UTKZUKDTSA-N 1 3 381.520 3.243 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157289272 1423976095 /nfs/dbraw/zinc/97/60/95/1423976095.db2.gz VFJZHXKYTFVWFX-OALUTQOASA-N 1 3 387.572 3.171 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157289272 1423976106 /nfs/dbraw/zinc/97/61/06/1423976106.db2.gz VFJZHXKYTFVWFX-OALUTQOASA-N 1 3 387.572 3.171 20 0 GGADHO CN(C)[C@@H](CNc1cc(NC[C@@H](c2ccco2)[NH+](C)C)ncn1)c1ccco1 ZINC000157532158 1424031440 /nfs/dbraw/zinc/03/14/40/1424031440.db2.gz YAPVWVXZDVUTBR-HOTGVXAUSA-N 1 3 384.484 3.092 20 0 GGADHO CC(C)CS(=O)(=O)N1CCC([NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000180015439 1429692866 /nfs/dbraw/zinc/69/28/66/1429692866.db2.gz ZAPBXPWBZGDIFG-NQIIRXRSSA-N 1 3 399.645 3.069 20 0 GGADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000159097372 1424416418 /nfs/dbraw/zinc/41/64/18/1424416418.db2.gz MJMKYJATTNXEQE-GOSISDBHSA-N 1 3 386.540 3.151 20 0 GGADHO O[C@H](COCc1ccco1)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000159207427 1424443272 /nfs/dbraw/zinc/44/32/72/1424443272.db2.gz UHMDJGDCJXDRFC-FUDKSRODSA-N 1 3 384.520 3.144 20 0 GGADHO O[C@H](COCc1ccco1)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000159207427 1424443277 /nfs/dbraw/zinc/44/32/77/1424443277.db2.gz UHMDJGDCJXDRFC-FUDKSRODSA-N 1 3 384.520 3.144 20 0 GGADHO COCC[N@H+](C)CCCC1CCN(Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000159871730 1424546502 /nfs/dbraw/zinc/54/65/02/1424546502.db2.gz MPYLIJSFEOXKPZ-UHFFFAOYSA-N 1 3 380.483 3.342 20 0 GGADHO COCC[N@@H+](C)CCCC1CCN(Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000159871730 1424546510 /nfs/dbraw/zinc/54/65/10/1424546510.db2.gz MPYLIJSFEOXKPZ-UHFFFAOYSA-N 1 3 380.483 3.342 20 0 GGADHO Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000162162465 1424821194 /nfs/dbraw/zinc/82/11/94/1424821194.db2.gz OHDKAFJNSAKHKF-SFHVURJKSA-N 1 3 376.508 3.286 20 0 GGADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(N2CCOC2=O)c1 ZINC000162532745 1424862914 /nfs/dbraw/zinc/86/29/14/1424862914.db2.gz DUOVUCIAVIZQPT-KRWDZBQOSA-N 1 3 383.492 3.434 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000162796913 1424891139 /nfs/dbraw/zinc/89/11/39/1424891139.db2.gz NAMNSSMZXMEBDA-UHFFFAOYSA-N 1 3 397.416 3.426 20 0 GGADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000163264100 1424968877 /nfs/dbraw/zinc/96/88/77/1424968877.db2.gz AELSFCJTZZADHU-LVCYWYKZSA-N 1 3 376.508 3.366 20 0 GGADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000163264100 1424968885 /nfs/dbraw/zinc/96/88/85/1424968885.db2.gz AELSFCJTZZADHU-LVCYWYKZSA-N 1 3 376.508 3.366 20 0 GGADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000163264447 1424969422 /nfs/dbraw/zinc/96/94/22/1424969422.db2.gz AELSFCJTZZADHU-WFXMLNOXSA-N 1 3 376.508 3.366 20 0 GGADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000163264447 1424969432 /nfs/dbraw/zinc/96/94/32/1424969432.db2.gz AELSFCJTZZADHU-WFXMLNOXSA-N 1 3 376.508 3.366 20 0 GGADHO COc1cccc([C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)N2CCCC2)c1 ZINC000163639881 1425027512 /nfs/dbraw/zinc/02/75/12/1425027512.db2.gz NEHMLUJTSMFZET-YADHBBJMSA-N 1 3 381.520 3.429 20 0 GGADHO COc1cccc([C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)N2CCCC2)c1 ZINC000163639658 1425027590 /nfs/dbraw/zinc/02/75/90/1425027590.db2.gz NEHMLUJTSMFZET-VXKWHMMOSA-N 1 3 381.520 3.429 20 0 GGADHO C[C@@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163671421 1425032350 /nfs/dbraw/zinc/03/23/50/1425032350.db2.gz DFRWSBCLDBRZQZ-HYBUGGRVSA-N 1 3 397.563 3.351 20 0 GGADHO CC[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cnn(C)c1 ZINC000163934449 1425059738 /nfs/dbraw/zinc/05/97/38/1425059738.db2.gz ORFJMWZVVXQRSC-QFIPXVFZSA-N 1 3 386.540 3.151 20 0 GGADHO CC[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cnn(C)c1 ZINC000163934449 1425059748 /nfs/dbraw/zinc/05/97/48/1425059748.db2.gz ORFJMWZVVXQRSC-QFIPXVFZSA-N 1 3 386.540 3.151 20 0 GGADHO Cc1ncc([C@H](C)[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c(C)n1 ZINC000163930591 1425059952 /nfs/dbraw/zinc/05/99/52/1425059952.db2.gz VGQKPEKUOGVJMV-IBGZPJMESA-N 1 3 381.568 3.342 20 0 GGADHO CCCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000164438875 1425111975 /nfs/dbraw/zinc/11/19/75/1425111975.db2.gz DEOVUMPNPKLKIT-INIZCTEOSA-N 1 3 377.529 3.275 20 0 GGADHO CCCCN1CCC([NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000164464776 1425115184 /nfs/dbraw/zinc/11/51/84/1425115184.db2.gz BUAHNUWMTBYUNG-QGZVFWFLSA-N 1 3 379.570 3.142 20 0 GGADHO C[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343485 1425176245 /nfs/dbraw/zinc/17/62/45/1425176245.db2.gz KBTAAFFWYYVVDF-FPOVZHCZSA-N 1 3 375.520 3.483 20 0 GGADHO C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343485 1425176249 /nfs/dbraw/zinc/17/62/49/1425176249.db2.gz KBTAAFFWYYVVDF-FPOVZHCZSA-N 1 3 375.520 3.483 20 0 GGADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343485 1425176255 /nfs/dbraw/zinc/17/62/55/1425176255.db2.gz KBTAAFFWYYVVDF-FPOVZHCZSA-N 1 3 375.520 3.483 20 0 GGADHO C[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343847 1425176380 /nfs/dbraw/zinc/17/63/80/1425176380.db2.gz KBTAAFFWYYVVDF-TZIWHRDSSA-N 1 3 375.520 3.483 20 0 GGADHO C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343847 1425176384 /nfs/dbraw/zinc/17/63/84/1425176384.db2.gz KBTAAFFWYYVVDF-TZIWHRDSSA-N 1 3 375.520 3.483 20 0 GGADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343847 1425176391 /nfs/dbraw/zinc/17/63/91/1425176391.db2.gz KBTAAFFWYYVVDF-TZIWHRDSSA-N 1 3 375.520 3.483 20 0 GGADHO C[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343707 1425176478 /nfs/dbraw/zinc/17/64/78/1425176478.db2.gz KBTAAFFWYYVVDF-PZJWPPBQSA-N 1 3 375.520 3.483 20 0 GGADHO C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343707 1425176483 /nfs/dbraw/zinc/17/64/83/1425176483.db2.gz KBTAAFFWYYVVDF-PZJWPPBQSA-N 1 3 375.520 3.483 20 0 GGADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343707 1425176486 /nfs/dbraw/zinc/17/64/86/1425176486.db2.gz KBTAAFFWYYVVDF-PZJWPPBQSA-N 1 3 375.520 3.483 20 0 GGADHO C[C@@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC[N@@H+]1C ZINC000165579645 1425185809 /nfs/dbraw/zinc/18/58/09/1425185809.db2.gz HRFHGQVQMILADD-QAPCUYQASA-N 1 3 384.490 3.030 20 0 GGADHO C[C@@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC[N@H+]1C ZINC000165579645 1425185822 /nfs/dbraw/zinc/18/58/22/1425185822.db2.gz HRFHGQVQMILADD-QAPCUYQASA-N 1 3 384.490 3.030 20 0 GGADHO CC[N@@H+]1CC[C@@H](NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)[C@H](C)C1 ZINC000165584294 1425185907 /nfs/dbraw/zinc/18/59/07/1425185907.db2.gz RFHVONVLHNGTCS-VQIMIIECSA-N 1 3 398.517 3.277 20 0 GGADHO CC[N@H+]1CC[C@@H](NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)[C@H](C)C1 ZINC000165584294 1425185916 /nfs/dbraw/zinc/18/59/16/1425185916.db2.gz RFHVONVLHNGTCS-VQIMIIECSA-N 1 3 398.517 3.277 20 0 GGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000165587236 1425186091 /nfs/dbraw/zinc/18/60/91/1425186091.db2.gz FYHOVVDUMSIGBQ-GPMSIDNRSA-N 1 3 398.517 3.276 20 0 GGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000165587236 1425186100 /nfs/dbraw/zinc/18/61/00/1425186100.db2.gz FYHOVVDUMSIGBQ-GPMSIDNRSA-N 1 3 398.517 3.276 20 0 GGADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000165586974 1425186140 /nfs/dbraw/zinc/18/61/40/1425186140.db2.gz FYHOVVDUMSIGBQ-MDZRGWNJSA-N 1 3 398.517 3.276 20 0 GGADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000165586974 1425186147 /nfs/dbraw/zinc/18/61/47/1425186147.db2.gz FYHOVVDUMSIGBQ-MDZRGWNJSA-N 1 3 398.517 3.276 20 0 GGADHO CCC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170814272 1425351849 /nfs/dbraw/zinc/35/18/49/1425351849.db2.gz YXKOQAQUBIOLFE-NRFANRHFSA-N 1 3 386.584 3.256 20 0 GGADHO CC(C)CC[C@H]1CCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170814242 1425352034 /nfs/dbraw/zinc/35/20/34/1425352034.db2.gz RHFYQRKYZCZYPF-WIYYLYMNSA-N 1 3 378.605 3.449 20 0 GGADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3cccc(CN(C)C)c3)CC2)C[C@H](C)O1 ZINC000171247588 1425566255 /nfs/dbraw/zinc/56/62/55/1425566255.db2.gz XXSHLJNYOUXPCX-HDICACEKSA-N 1 3 388.556 3.101 20 0 GGADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)Nc3cccc(CN(C)C)c3)CC2)C[C@H](C)O1 ZINC000171247588 1425566259 /nfs/dbraw/zinc/56/62/59/1425566259.db2.gz XXSHLJNYOUXPCX-HDICACEKSA-N 1 3 388.556 3.101 20 0 GGADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000171304527 1425605687 /nfs/dbraw/zinc/60/56/87/1425605687.db2.gz BARCFFFPPMYVBI-IRXDYDNUSA-N 1 3 393.959 3.490 20 0 GGADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000171304521 1425606179 /nfs/dbraw/zinc/60/61/79/1425606179.db2.gz BARCFFFPPMYVBI-CALCHBBNSA-N 1 3 393.959 3.490 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)NCC[N@H+](C)C3CCCC3)c(C)c2)CC1 ZINC000171650583 1425773720 /nfs/dbraw/zinc/77/37/20/1425773720.db2.gz DHZSQPGAJRSDHT-UHFFFAOYSA-N 1 3 387.572 3.133 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)NCC[N@@H+](C)C3CCCC3)c(C)c2)CC1 ZINC000171650583 1425773727 /nfs/dbraw/zinc/77/37/27/1425773727.db2.gz DHZSQPGAJRSDHT-UHFFFAOYSA-N 1 3 387.572 3.133 20 0 GGADHO CSCC[C@H](C)N(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000172432926 1426042400 /nfs/dbraw/zinc/04/24/00/1426042400.db2.gz OIZNAOZRSKXUJL-SFHVURJKSA-N 1 3 377.598 3.149 20 0 GGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172543033 1426080047 /nfs/dbraw/zinc/08/00/47/1426080047.db2.gz BELDZEWWDIFESJ-QFIPXVFZSA-N 1 3 384.568 3.483 20 0 GGADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172543033 1426080052 /nfs/dbraw/zinc/08/00/52/1426080052.db2.gz BELDZEWWDIFESJ-QFIPXVFZSA-N 1 3 384.568 3.483 20 0 GGADHO CN(C)[C@@H](CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000173323592 1426506496 /nfs/dbraw/zinc/50/64/96/1426506496.db2.gz GZKORVOZBUCXRA-GGAORHGYSA-N 1 3 394.563 3.453 20 0 GGADHO CN(C)[C@@H](CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000173323592 1426506505 /nfs/dbraw/zinc/50/65/05/1426506505.db2.gz GZKORVOZBUCXRA-GGAORHGYSA-N 1 3 394.563 3.453 20 0 GGADHO C[C@H](CCNC(=O)CC1(N2CCOCC2)CCCC1)[N@H+](C)Cc1ccccc1 ZINC000173615609 1426794413 /nfs/dbraw/zinc/79/44/13/1426794413.db2.gz SVZSEFGTEOKXFK-HXUWFJFHSA-N 1 3 387.568 3.048 20 0 GGADHO C[C@H](CCNC(=O)CC1(N2CCOCC2)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000173615609 1426794449 /nfs/dbraw/zinc/79/44/49/1426794449.db2.gz SVZSEFGTEOKXFK-HXUWFJFHSA-N 1 3 387.568 3.048 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ccc4c(c3)CCC4)c2)C1 ZINC000173838059 1426865365 /nfs/dbraw/zinc/86/53/65/1426865365.db2.gz PNLGZLKJTAYTOW-HSZRJFAPSA-N 1 3 377.532 3.162 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc4c(c3)CCC4)c2)C1 ZINC000173838059 1426865368 /nfs/dbraw/zinc/86/53/68/1426865368.db2.gz PNLGZLKJTAYTOW-HSZRJFAPSA-N 1 3 377.532 3.162 20 0 GGADHO COC(=O)c1cc2cc(CN3CCC(OCC[NH+]4CCCC4)CC3)ccc2o1 ZINC000173954744 1426907589 /nfs/dbraw/zinc/90/75/89/1426907589.db2.gz ABZDNPDCSVLQQI-UHFFFAOYSA-N 1 3 386.492 3.296 20 0 GGADHO COc1cccc(NC(=O)CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000173980457 1426923976 /nfs/dbraw/zinc/92/39/76/1426923976.db2.gz UBYJQPYAZPTNSX-HXUWFJFHSA-N 1 3 381.520 3.478 20 0 GGADHO COc1cccc(NC(=O)CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000173980457 1426923982 /nfs/dbraw/zinc/92/39/82/1426923982.db2.gz UBYJQPYAZPTNSX-HXUWFJFHSA-N 1 3 381.520 3.478 20 0 GGADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(OC(F)F)cc1 ZINC000174046971 1426970209 /nfs/dbraw/zinc/97/02/09/1426970209.db2.gz WOVITIOPDDMIFS-OAHLLOKOSA-N 1 3 391.462 3.430 20 0 GGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174118283 1427010098 /nfs/dbraw/zinc/01/00/98/1427010098.db2.gz FBIITPZYICRUPZ-MSOLQXFVSA-N 1 3 376.570 3.012 20 0 GGADHO CN(CCC(=O)Nc1ccc2c(c1)OCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400609 1427140596 /nfs/dbraw/zinc/14/05/96/1427140596.db2.gz XJIOVRWWIXCLCG-LJQANCHMSA-N 1 3 395.503 3.198 20 0 GGADHO CN(CCC(=O)Nc1ccc2c(c1)OCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400609 1427140599 /nfs/dbraw/zinc/14/05/99/1427140599.db2.gz XJIOVRWWIXCLCG-LJQANCHMSA-N 1 3 395.503 3.198 20 0 GGADHO CCN1CCN(CCC[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000174406374 1427143843 /nfs/dbraw/zinc/14/38/43/1427143843.db2.gz ZCAIYYMBGOBELT-FQEVSTJZSA-N 1 3 395.975 3.015 20 0 GGADHO CCN1CCN(CCC[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000174406385 1427143966 /nfs/dbraw/zinc/14/39/66/1427143966.db2.gz ZCAIYYMBGOBELT-HXUWFJFHSA-N 1 3 395.975 3.015 20 0 GGADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc(-c2ccccc2)nc1C ZINC000174458169 1427165291 /nfs/dbraw/zinc/16/52/91/1427165291.db2.gz ZFVDOFKHTPEHFW-IBGZPJMESA-N 1 3 384.524 3.138 20 0 GGADHO CCCN1Cc2cccc(NC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)c2C1 ZINC000174547158 1427216633 /nfs/dbraw/zinc/21/66/33/1427216633.db2.gz AJCQJSGSNMEGJE-UHFFFAOYSA-N 1 3 392.547 3.412 20 0 GGADHO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174715875 1427327499 /nfs/dbraw/zinc/32/74/99/1427327499.db2.gz SUXKLQJLQSXIFB-FQEVSTJZSA-N 1 3 394.563 3.250 20 0 GGADHO CN(Cc1cc2ccccc2o1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175412824 1427740836 /nfs/dbraw/zinc/74/08/36/1427740836.db2.gz QXSVVOUSUWAOQT-UHFFFAOYSA-N 1 3 384.524 3.133 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC000175691439 1427859810 /nfs/dbraw/zinc/85/98/10/1427859810.db2.gz UQJVMWBZNWAIIV-UHFFFAOYSA-N 1 3 386.584 3.413 20 0 GGADHO CN(CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000175965131 1428002054 /nfs/dbraw/zinc/00/20/54/1428002054.db2.gz CRHIZMVYUUYEQS-UHFFFAOYSA-N 1 3 394.563 3.424 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccc(F)cc4F)CCC3)CC2)CC1 ZINC000180197470 1429798451 /nfs/dbraw/zinc/79/84/51/1429798451.db2.gz FWGWLPKMOBVANW-UHFFFAOYSA-N 1 3 391.506 3.061 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C[C@H](C)O1 ZINC000180312385 1429833538 /nfs/dbraw/zinc/83/35/38/1429833538.db2.gz ONSWQLHDMRDKHH-INDMIFKZSA-N 1 3 383.577 3.111 20 0 GGADHO O=C(CC1(N2CCOCC2)CCCC1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180316671 1429834887 /nfs/dbraw/zinc/83/48/87/1429834887.db2.gz CJVMBNZBYRMGPV-UHFFFAOYSA-N 1 3 385.552 3.299 20 0 GGADHO CCN(C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000180749022 1430016217 /nfs/dbraw/zinc/01/62/17/1430016217.db2.gz YAZCYLLYHFNOBK-JOCHJYFZSA-N 1 3 387.568 3.030 20 0 GGADHO COC(=O)COc1c(C)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000180786338 1430039538 /nfs/dbraw/zinc/03/95/38/1430039538.db2.gz POBNJTJAMALTOX-CTNGQTDRSA-N 1 3 386.536 3.304 20 0 GGADHO COC(=O)COc1c(C)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000180786338 1430039550 /nfs/dbraw/zinc/03/95/50/1430039550.db2.gz POBNJTJAMALTOX-CTNGQTDRSA-N 1 3 386.536 3.304 20 0 GGADHO CC[NH+](CC)CCCC1CCN(Cc2cnc(N3CCOCC3)s2)CC1 ZINC000180790232 1430041444 /nfs/dbraw/zinc/04/14/44/1430041444.db2.gz RLYTYDBVQMHLBE-UHFFFAOYSA-N 1 3 380.602 3.314 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000180901280 1430098519 /nfs/dbraw/zinc/09/85/19/1430098519.db2.gz SAQGKTJVHDJJPA-DEOSSOPVSA-N 1 3 398.595 3.138 20 0 GGADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000180975414 1430146197 /nfs/dbraw/zinc/14/61/97/1430146197.db2.gz ZAKMWSWANGHTCB-SFHVURJKSA-N 1 3 383.511 3.372 20 0 GGADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000180977424 1430148211 /nfs/dbraw/zinc/14/82/11/1430148211.db2.gz DTMLHNCSIKZLNT-JOCHJYFZSA-N 1 3 381.495 3.428 20 0 GGADHO Cc1ccc(-c2n[nH]cc2CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000180984507 1430152424 /nfs/dbraw/zinc/15/24/24/1430152424.db2.gz NFKUYWGRPKXDHL-HXUWFJFHSA-N 1 3 380.492 3.225 20 0 GGADHO Cc1ccc(-c2n[nH]cc2CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)o1 ZINC000180984507 1430152429 /nfs/dbraw/zinc/15/24/29/1430152429.db2.gz NFKUYWGRPKXDHL-HXUWFJFHSA-N 1 3 380.492 3.225 20 0 GGADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000180996953 1430158950 /nfs/dbraw/zinc/15/89/50/1430158950.db2.gz MTFRJCHZQCZIME-OAHLLOKOSA-N 1 3 391.462 3.430 20 0 GGADHO Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180999265 1430159309 /nfs/dbraw/zinc/15/93/09/1430159309.db2.gz ZMKYXHICVSRUNS-NRFANRHFSA-N 1 3 381.520 3.290 20 0 GGADHO COc1cc(C)c([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1OC ZINC000181000842 1430160908 /nfs/dbraw/zinc/16/09/08/1430160908.db2.gz JNCKKMBBYQGXNR-KRWDZBQOSA-N 1 3 399.535 3.154 20 0 GGADHO CCc1nc2c(s1)[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)CCC2 ZINC000181001142 1430161558 /nfs/dbraw/zinc/16/15/58/1430161558.db2.gz MHHFQFYFSQRMIA-KRWDZBQOSA-N 1 3 386.565 3.164 20 0 GGADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000181048647 1430185460 /nfs/dbraw/zinc/18/54/60/1430185460.db2.gz YMMZEPQMJQIGNK-LJQANCHMSA-N 1 3 398.551 3.406 20 0 GGADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000181048647 1430185480 /nfs/dbraw/zinc/18/54/80/1430185480.db2.gz YMMZEPQMJQIGNK-LJQANCHMSA-N 1 3 398.551 3.406 20 0 GGADHO C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181418569 1430293743 /nfs/dbraw/zinc/29/37/43/1430293743.db2.gz QREDDBADLDBPQS-CZAAIQMYSA-N 1 3 387.524 3.062 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000181518472 1430314079 /nfs/dbraw/zinc/31/40/79/1430314079.db2.gz HKNCVUGNSMDVBV-ZWKOTPCHSA-N 1 3 391.556 3.379 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000181518472 1430314081 /nfs/dbraw/zinc/31/40/81/1430314081.db2.gz HKNCVUGNSMDVBV-ZWKOTPCHSA-N 1 3 391.556 3.379 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(OC)c1 ZINC000181518497 1430314210 /nfs/dbraw/zinc/31/42/10/1430314210.db2.gz HKNCVUGNSMDVBV-ROUUACIJSA-N 1 3 391.556 3.379 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000181518497 1430314211 /nfs/dbraw/zinc/31/42/11/1430314211.db2.gz HKNCVUGNSMDVBV-ROUUACIJSA-N 1 3 391.556 3.379 20 0 GGADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000181972157 1430390326 /nfs/dbraw/zinc/39/03/26/1430390326.db2.gz NKFVMYXNGFVPHG-GOSISDBHSA-N 1 3 380.536 3.243 20 0 GGADHO CC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182109443 1430413727 /nfs/dbraw/zinc/41/37/27/1430413727.db2.gz PJVAZOVNDKOJHK-KRWDZBQOSA-N 1 3 381.520 3.453 20 0 GGADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000182109459 1430413850 /nfs/dbraw/zinc/41/38/50/1430413850.db2.gz PJVAZOVNDKOJHK-QGZVFWFLSA-N 1 3 381.520 3.453 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCOCC2)cc1CN1CCCCC1 ZINC000182187091 1430426635 /nfs/dbraw/zinc/42/66/35/1430426635.db2.gz FSAYZIZHUNLNGV-LJQANCHMSA-N 1 3 375.557 3.054 20 0 GGADHO COc1cc(C)c([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000182258847 1430438775 /nfs/dbraw/zinc/43/87/75/1430438775.db2.gz SXIPFLQPDNZNDH-XLIONFOSSA-N 1 3 384.520 3.430 20 0 GGADHO COc1cc(C)c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OC ZINC000182258847 1430438778 /nfs/dbraw/zinc/43/87/78/1430438778.db2.gz SXIPFLQPDNZNDH-XLIONFOSSA-N 1 3 384.520 3.430 20 0 GGADHO CC1CC[NH+](Cc2ccc(CN[C@@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)CC1 ZINC000182266407 1430439629 /nfs/dbraw/zinc/43/96/29/1430439629.db2.gz CQDCPMVHNKRJOE-RTWAWAEBSA-N 1 3 378.582 3.364 20 0 GGADHO CC1CC[NH+](Cc2ccc(CN[C@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)CC1 ZINC000182266429 1430439759 /nfs/dbraw/zinc/43/97/59/1430439759.db2.gz CQDCPMVHNKRJOE-SFTDATJTSA-N 1 3 378.582 3.364 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccsc1 ZINC000182329595 1430449526 /nfs/dbraw/zinc/44/95/26/1430449526.db2.gz RNKXBYHXUOCHRZ-YTQUADARSA-N 1 3 378.586 3.257 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccsc1 ZINC000182329595 1430449528 /nfs/dbraw/zinc/44/95/28/1430449528.db2.gz RNKXBYHXUOCHRZ-YTQUADARSA-N 1 3 378.586 3.257 20 0 GGADHO C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401825 1430460667 /nfs/dbraw/zinc/46/06/67/1430460667.db2.gz QDWXSJOPDGNYOC-FPOVZHCZSA-N 1 3 398.595 3.387 20 0 GGADHO C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401825 1430460671 /nfs/dbraw/zinc/46/06/71/1430460671.db2.gz QDWXSJOPDGNYOC-FPOVZHCZSA-N 1 3 398.595 3.387 20 0 GGADHO C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401842 1430460743 /nfs/dbraw/zinc/46/07/43/1430460743.db2.gz QDWXSJOPDGNYOC-CTNGQTDRSA-N 1 3 398.595 3.387 20 0 GGADHO C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401842 1430460748 /nfs/dbraw/zinc/46/07/48/1430460748.db2.gz QDWXSJOPDGNYOC-CTNGQTDRSA-N 1 3 398.595 3.387 20 0 GGADHO COc1ccc([C@H](C)[NH2+][C@H](C)CN2CCOCC2)cc1CN1CCCCC1 ZINC000182440210 1430468407 /nfs/dbraw/zinc/46/84/07/1430468407.db2.gz MRLOXZCZVKQNOF-MOPGFXCFSA-N 1 3 375.557 3.052 20 0 GGADHO COCCN1CCC([NH2+][C@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CC1 ZINC000182614457 1430502834 /nfs/dbraw/zinc/50/28/34/1430502834.db2.gz KYRHLRRKEIVQEN-LJQANCHMSA-N 1 3 389.584 3.443 20 0 GGADHO C[C@@H](CCNC(=O)N(CCN(C)C)Cc1ccccc1F)[NH+]1CCCCC1 ZINC000182677377 1430515569 /nfs/dbraw/zinc/51/55/69/1430515569.db2.gz GBGGEFGSGZYPAT-SFHVURJKSA-N 1 3 378.536 3.163 20 0 GGADHO C[C@H](CCNC(=O)N(CCN(C)C)Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC000182690254 1430518256 /nfs/dbraw/zinc/51/82/56/1430518256.db2.gz HNWSVRCFNIPQBH-GOSISDBHSA-N 1 3 378.536 3.163 20 0 GGADHO C[C@@H](CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000182717280 1430525547 /nfs/dbraw/zinc/52/55/47/1430525547.db2.gz GOWCOVSLZSBHOP-SFHVURJKSA-N 1 3 376.545 3.150 20 0 GGADHO CC[NH+](CC)CCCC1CCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000182730570 1430529167 /nfs/dbraw/zinc/52/91/67/1430529167.db2.gz OZTFVNPTJZHPNX-UHFFFAOYSA-N 1 3 395.613 3.271 20 0 GGADHO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)cc1CN1CCCCC1 ZINC000182855598 1430554282 /nfs/dbraw/zinc/55/42/82/1430554282.db2.gz ZHICILWTXKTICF-SLFFLAALSA-N 1 3 389.584 3.441 20 0 GGADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cc1CN1CCCCC1 ZINC000183000140 1430589087 /nfs/dbraw/zinc/58/90/87/1430589087.db2.gz UXDZFJVZWNGRBG-UXHICEINSA-N 1 3 389.584 3.300 20 0 GGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000183127380 1430622299 /nfs/dbraw/zinc/62/22/99/1430622299.db2.gz JYJQVRSHHWSGPY-BDTNDASRSA-N 1 3 393.579 3.437 20 0 GGADHO COc1ccc([C@@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)cc1CN1CCCCC1 ZINC000183133743 1430624345 /nfs/dbraw/zinc/62/43/45/1430624345.db2.gz JUUGNAMTGHRESF-IAGOWNOFSA-N 1 3 382.570 3.155 20 0 GGADHO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000183145141 1430628367 /nfs/dbraw/zinc/62/83/67/1430628367.db2.gz BEJUDJGXKRTVJJ-KMDXXIMOSA-N 1 3 391.559 3.479 20 0 GGADHO CC(C)(C)S(=O)(=O)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183151086 1430630216 /nfs/dbraw/zinc/63/02/16/1430630216.db2.gz KQXKHXUEZVZUAB-SLFFLAALSA-N 1 3 378.582 3.090 20 0 GGADHO CC(C)(C)S(=O)(=O)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183151086 1430630221 /nfs/dbraw/zinc/63/02/21/1430630221.db2.gz KQXKHXUEZVZUAB-SLFFLAALSA-N 1 3 378.582 3.090 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183226603 1430652598 /nfs/dbraw/zinc/65/25/98/1430652598.db2.gz IXKSMVQWHCVYTI-DLBZAZTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000183226603 1430652602 /nfs/dbraw/zinc/65/26/02/1430652602.db2.gz IXKSMVQWHCVYTI-DLBZAZTESA-N 1 3 377.529 3.275 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000183226741 1430653511 /nfs/dbraw/zinc/65/35/11/1430653511.db2.gz XKBKRVZUAPKYFD-DLBZAZTESA-N 1 3 375.513 3.044 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000183226741 1430653519 /nfs/dbraw/zinc/65/35/19/1430653519.db2.gz XKBKRVZUAPKYFD-DLBZAZTESA-N 1 3 375.513 3.044 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000183544668 1430739173 /nfs/dbraw/zinc/73/91/73/1430739173.db2.gz FQTAADRUMDXLSL-INIZCTEOSA-N 1 3 387.524 3.187 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000183544668 1430739175 /nfs/dbraw/zinc/73/91/75/1430739175.db2.gz FQTAADRUMDXLSL-INIZCTEOSA-N 1 3 387.524 3.187 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000183594593 1430749493 /nfs/dbraw/zinc/74/94/93/1430749493.db2.gz YOKMQILILAMCQW-OAHLLOKOSA-N 1 3 375.513 3.043 20 0 GGADHO OC[C@@H](NCc1ccccc1C[NH2+][C@H](CO)c1ccccc1)c1ccccc1 ZINC000183664790 1430766663 /nfs/dbraw/zinc/76/66/63/1430766663.db2.gz AWLHXZVHJYGGKM-DNQXCXABSA-N 1 3 376.500 3.333 20 0 GGADHO C[C@H](NCc1ccc(N2CCOC2=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000183743433 1430785101 /nfs/dbraw/zinc/78/51/01/1430785101.db2.gz LLYYSNXFVDSMCR-KRWDZBQOSA-N 1 3 383.492 3.434 20 0 GGADHO CCCN(CCc1cccs1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184110947 1430842890 /nfs/dbraw/zinc/84/28/90/1430842890.db2.gz JIZKSZLKTMRCSX-UHFFFAOYSA-N 1 3 392.613 3.271 20 0 GGADHO CC[N@H+](Cc1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1)C(C)C ZINC000184197727 1430854873 /nfs/dbraw/zinc/85/48/73/1430854873.db2.gz YJLZYFUJZXDUIL-UHFFFAOYSA-N 1 3 388.600 3.063 20 0 GGADHO CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1)C(C)C ZINC000184197727 1430854877 /nfs/dbraw/zinc/85/48/77/1430854877.db2.gz YJLZYFUJZXDUIL-UHFFFAOYSA-N 1 3 388.600 3.063 20 0 GGADHO CC(C)[C@H]1CCC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000184445413 1430888730 /nfs/dbraw/zinc/88/87/30/1430888730.db2.gz DMMBYYJQPJOPJT-RBUKOAKNSA-N 1 3 378.605 3.449 20 0 GGADHO Cc1ccc(CNC(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000184741992 1430961541 /nfs/dbraw/zinc/96/15/41/1430961541.db2.gz LAVIAFKUPLIMEX-WOJBJXKFSA-N 1 3 379.548 3.357 20 0 GGADHO COc1ccccc1CNC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184749474 1430964810 /nfs/dbraw/zinc/96/48/10/1430964810.db2.gz SXJYUNPGOQCBMI-OALUTQOASA-N 1 3 395.547 3.058 20 0 GGADHO Cc1cccc(CNC(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000184752883 1430966136 /nfs/dbraw/zinc/96/61/36/1430966136.db2.gz NKUHECCRIWCFDE-PMACEKPBSA-N 1 3 379.548 3.357 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@]3(C)Cc3ccccc3)CC2)CC1 ZINC000184773353 1430973428 /nfs/dbraw/zinc/97/34/28/1430973428.db2.gz GDVHRWSATQHEHB-DEOSSOPVSA-N 1 3 398.595 3.352 20 0 GGADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184885780 1431012587 /nfs/dbraw/zinc/01/25/87/1431012587.db2.gz HWUWQVADAHARGV-HXUWFJFHSA-N 1 3 387.572 3.215 20 0 GGADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184885780 1431012592 /nfs/dbraw/zinc/01/25/92/1431012592.db2.gz HWUWQVADAHARGV-HXUWFJFHSA-N 1 3 387.572 3.215 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H](C)C[NH+]3CCCCC3)c2)CC1 ZINC000184913416 1431019885 /nfs/dbraw/zinc/01/98/85/1431019885.db2.gz DBZMYMVBSFKMGU-LJQANCHMSA-N 1 3 387.572 3.072 20 0 GGADHO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 ZINC000184921049 1431021574 /nfs/dbraw/zinc/02/15/74/1431021574.db2.gz CNQPIIFBPIMIPV-UHFFFAOYSA-N 1 3 387.572 3.167 20 0 GGADHO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])N1CC[NH+](C)CC1 ZINC000184977442 1431035093 /nfs/dbraw/zinc/03/50/93/1431035093.db2.gz YWHQSHYPLBGEDW-YOEHRIQHSA-N 1 3 384.362 3.077 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3cccc(Cl)c3F)CC2)CC1 ZINC000185205316 1431084370 /nfs/dbraw/zinc/08/43/70/1431084370.db2.gz SLYDWILQYNJMIA-UHFFFAOYSA-N 1 3 395.950 3.432 20 0 GGADHO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1(C)C ZINC000185242769 1431092109 /nfs/dbraw/zinc/09/21/09/1431092109.db2.gz SHEZUKZECIFXMQ-NHCUHLMSSA-N 1 3 387.568 3.194 20 0 GGADHO C[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1COc2ccccc21 ZINC000185545188 1431168215 /nfs/dbraw/zinc/16/82/15/1431168215.db2.gz ZZXBNQKJYXHVMI-GCJKJVERSA-N 1 3 393.531 3.053 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187003750 1431587161 /nfs/dbraw/zinc/58/71/61/1431587161.db2.gz PRQDINZTTJBEIR-GJZGRUSLSA-N 1 3 384.362 3.140 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187159699 1431634378 /nfs/dbraw/zinc/63/43/78/1431634378.db2.gz HWEYDZNZNSIMEV-HOCLYGCPSA-N 1 3 398.389 3.387 20 0 GGADHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000187190684 1431641819 /nfs/dbraw/zinc/64/18/19/1431641819.db2.gz OTJCATBRLTZXAE-GDBMZVCRSA-N 1 3 385.346 3.351 20 0 GGADHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000187190684 1431641826 /nfs/dbraw/zinc/64/18/26/1431641826.db2.gz OTJCATBRLTZXAE-GDBMZVCRSA-N 1 3 385.346 3.351 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)CC1 ZINC000189499047 1432135852 /nfs/dbraw/zinc/13/58/52/1432135852.db2.gz FNBPDFJGQSSONE-UHFFFAOYSA-N 1 3 387.421 3.133 20 0 GGADHO C[C@@H]1C[N@@H+](CCC2CCN(CCOCC(F)(F)C(F)F)CC2)C[C@H](C)O1 ZINC000189519238 1432145350 /nfs/dbraw/zinc/14/53/50/1432145350.db2.gz YSWCQABGDLNMLA-GASCZTMLSA-N 1 3 384.458 3.115 20 0 GGADHO C[C@@H]1C[N@H+](CCC2CCN(CCOCC(F)(F)C(F)F)CC2)C[C@H](C)O1 ZINC000189519238 1432145369 /nfs/dbraw/zinc/14/53/69/1432145369.db2.gz YSWCQABGDLNMLA-GASCZTMLSA-N 1 3 384.458 3.115 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCOCC(F)(F)C(F)F)CC2)C[C@H](C)O1 ZINC000189519238 1432145391 /nfs/dbraw/zinc/14/53/91/1432145391.db2.gz YSWCQABGDLNMLA-GASCZTMLSA-N 1 3 384.458 3.115 20 0 GGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000189950554 1432287166 /nfs/dbraw/zinc/28/71/66/1432287166.db2.gz GXFJJDMHEYKUBX-PMACEKPBSA-N 1 3 379.548 3.391 20 0 GGADHO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000190952186 1432536643 /nfs/dbraw/zinc/53/66/43/1432536643.db2.gz FXJUCVBOMLXCQB-UHFFFAOYSA-N 1 3 389.588 3.333 20 0 GGADHO Cc1ccc(Cl)cc1N1CCN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000191394898 1432651646 /nfs/dbraw/zinc/65/16/46/1432651646.db2.gz CTUAQBOILIZPRX-UHFFFAOYSA-N 1 3 378.992 3.187 20 0 GGADHO COc1ccccc1CN(CCCN1CC[NH+](C(C)C)CC1)C[C@H]1CCCO1 ZINC000191436560 1432661900 /nfs/dbraw/zinc/66/19/00/1432661900.db2.gz GSHUWBLZENYFSU-JOCHJYFZSA-N 1 3 389.584 3.092 20 0 GGADHO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)CCS2 ZINC000191503184 1432674032 /nfs/dbraw/zinc/67/40/32/1432674032.db2.gz IOMGGXNTUZUQCC-IBGZPJMESA-N 1 3 384.549 3.169 20 0 GGADHO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)CCC2 ZINC000192823736 1432895171 /nfs/dbraw/zinc/89/51/71/1432895171.db2.gz CFVSOEDQZJDDQI-SJLPKXTDSA-N 1 3 391.556 3.005 20 0 GGADHO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)CCC2 ZINC000192823752 1432895177 /nfs/dbraw/zinc/89/51/77/1432895177.db2.gz CFVSOEDQZJDDQI-WMZOPIPTSA-N 1 3 391.556 3.005 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCCNc4ccccc43)c2)C1 ZINC000192846364 1432898373 /nfs/dbraw/zinc/89/83/73/1432898373.db2.gz ZKGFAVMMVSJWDA-NZQKXSOJSA-N 1 3 392.547 3.421 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCCNc4ccccc43)c2)C1 ZINC000192846364 1432898376 /nfs/dbraw/zinc/89/83/76/1432898376.db2.gz ZKGFAVMMVSJWDA-NZQKXSOJSA-N 1 3 392.547 3.421 20 0 GGADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000192848505 1432898567 /nfs/dbraw/zinc/89/85/67/1432898567.db2.gz SDZVIQXPFAZPKT-WOJBJXKFSA-N 1 3 383.939 3.315 20 0 GGADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000192958351 1432913054 /nfs/dbraw/zinc/91/30/54/1432913054.db2.gz PBDDZYAPJSDNGT-HSZRJFAPSA-N 1 3 394.563 3.296 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH+](CC4CC4)CC3)c(C)c2)CC1 ZINC000193513888 1433012263 /nfs/dbraw/zinc/01/22/63/1433012263.db2.gz AVEJLQCKSBTQIM-UHFFFAOYSA-N 1 3 399.583 3.133 20 0 GGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000193619245 1433029949 /nfs/dbraw/zinc/02/99/49/1433029949.db2.gz JOTSLCPOOYAFCK-SFHVURJKSA-N 1 3 376.570 3.059 20 0 GGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000193619231 1433030016 /nfs/dbraw/zinc/03/00/16/1433030016.db2.gz JOTSLCPOOYAFCK-GOSISDBHSA-N 1 3 376.570 3.059 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193926483 1433086183 /nfs/dbraw/zinc/08/61/83/1433086183.db2.gz RXDIFRLJCQNKJU-IRLDBZIGSA-N 1 3 380.536 3.111 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193926483 1433086184 /nfs/dbraw/zinc/08/61/84/1433086184.db2.gz RXDIFRLJCQNKJU-IRLDBZIGSA-N 1 3 380.536 3.111 20 0 GGADHO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000195132944 1433296986 /nfs/dbraw/zinc/29/69/86/1433296986.db2.gz MAJXMGLLTAWWSN-AZUAARDMSA-N 1 3 382.504 3.411 20 0 GGADHO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195132937 1433297154 /nfs/dbraw/zinc/29/71/54/1433297154.db2.gz MAJXMGLLTAWWSN-QUCCMNQESA-N 1 3 382.504 3.411 20 0 GGADHO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000195136962 1433297711 /nfs/dbraw/zinc/29/77/11/1433297711.db2.gz SAKUSQFROFNARG-MJGOQNOKSA-N 1 3 387.549 3.231 20 0 GGADHO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000195136962 1433297715 /nfs/dbraw/zinc/29/77/15/1433297715.db2.gz SAKUSQFROFNARG-MJGOQNOKSA-N 1 3 387.549 3.231 20 0 GGADHO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000195136984 1433297806 /nfs/dbraw/zinc/29/78/06/1433297806.db2.gz SAKUSQFROFNARG-IEBWSBKVSA-N 1 3 387.549 3.231 20 0 GGADHO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000195136984 1433297808 /nfs/dbraw/zinc/29/78/08/1433297808.db2.gz SAKUSQFROFNARG-IEBWSBKVSA-N 1 3 387.549 3.231 20 0 GGADHO Cc1nc2ccccc2c(C)c1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195203527 1433306791 /nfs/dbraw/zinc/30/67/91/1433306791.db2.gz LZNGGYKKJOFETG-UHFFFAOYSA-N 1 3 394.563 3.069 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3N3CCCCC3)CC2)CC1 ZINC000195341283 1433320933 /nfs/dbraw/zinc/32/09/33/1433320933.db2.gz QUBDKLZCMZBNIK-UHFFFAOYSA-N 1 3 399.583 3.357 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4oc(C5CC5)nc4c3)CC2)CC1 ZINC000195343518 1433321094 /nfs/dbraw/zinc/32/10/94/1433321094.db2.gz ZKZBDIKINKMBJV-UHFFFAOYSA-N 1 3 397.523 3.385 20 0 GGADHO CCC(CC)c1nnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000195344037 1433321124 /nfs/dbraw/zinc/32/11/24/1433321124.db2.gz YZDZEUGEXQIUAW-UHFFFAOYSA-N 1 3 394.589 3.122 20 0 GGADHO CCc1nc2cc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)ccc2o1 ZINC000195344268 1433321151 /nfs/dbraw/zinc/32/11/51/1433321151.db2.gz FGXZUNSTPIPFQK-UHFFFAOYSA-N 1 3 385.512 3.070 20 0 GGADHO COc1ccc(Cl)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195343885 1433321168 /nfs/dbraw/zinc/32/11/68/1433321168.db2.gz MQNSOMQXHQGLCJ-UHFFFAOYSA-N 1 3 380.920 3.029 20 0 GGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000227379008 1433369652 /nfs/dbraw/zinc/36/96/52/1433369652.db2.gz VDWVQZYKVMACDS-UEVCKROQSA-N 1 3 392.547 3.396 20 0 GGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000227379008 1433369656 /nfs/dbraw/zinc/36/96/56/1433369656.db2.gz VDWVQZYKVMACDS-UEVCKROQSA-N 1 3 392.547 3.396 20 0 GGADHO CC(C)(CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236639593 1433375047 /nfs/dbraw/zinc/37/50/47/1433375047.db2.gz SUDIZQCLCQGTCV-UHFFFAOYSA-N 1 3 391.559 3.261 20 0 GGADHO CC(C)[C@@H](C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)N1CCCCC1 ZINC000236661939 1433375560 /nfs/dbraw/zinc/37/55/60/1433375560.db2.gz IJWKDBLROGQZPI-FQEVSTJZSA-N 1 3 387.524 3.044 20 0 GGADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000236698632 1433376551 /nfs/dbraw/zinc/37/65/51/1433376551.db2.gz URBYNQJCJHNTDD-UHFFFAOYSA-N 1 3 395.547 3.145 20 0 GGADHO CC[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236951048 1433383763 /nfs/dbraw/zinc/38/37/63/1433383763.db2.gz MXBWTFYDLMTEBM-QHCPKHFHSA-N 1 3 391.559 3.261 20 0 GGADHO COc1cccc([C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)N2CCCC2)c1 ZINC000237313167 1433396905 /nfs/dbraw/zinc/39/69/05/1433396905.db2.gz HNDATGZFSUSXFG-BULFRSBZSA-N 1 3 381.520 3.284 20 0 GGADHO COc1cccc([C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)N2CCCC2)c1 ZINC000237313922 1433396975 /nfs/dbraw/zinc/39/69/75/1433396975.db2.gz HNDATGZFSUSXFG-VOQZNFBZSA-N 1 3 381.520 3.284 20 0 GGADHO COc1ccc([C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237324520 1433397410 /nfs/dbraw/zinc/39/74/10/1433397410.db2.gz YWTPWNMUCKNPHF-YADHBBJMSA-N 1 3 381.520 3.429 20 0 GGADHO CSCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000237336541 1433397924 /nfs/dbraw/zinc/39/79/24/1433397924.db2.gz GPPBKLAQZDPKKG-NRFANRHFSA-N 1 3 398.576 3.028 20 0 GGADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)C[C@@H](C)O1 ZINC000237400861 1433400930 /nfs/dbraw/zinc/40/09/30/1433400930.db2.gz QANBHYUXEUHQPK-KNKQGSTJSA-N 1 3 387.568 3.205 20 0 GGADHO COc1ccc([C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237486880 1433405885 /nfs/dbraw/zinc/40/58/85/1433405885.db2.gz YWTPWNMUCKNPHF-FGZHOGPDSA-N 1 3 381.520 3.429 20 0 GGADHO COc1ccc([C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237486941 1433405958 /nfs/dbraw/zinc/40/59/58/1433405958.db2.gz YWTPWNMUCKNPHF-FCHUYYIVSA-N 1 3 381.520 3.429 20 0 GGADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000237492964 1433406263 /nfs/dbraw/zinc/40/62/63/1433406263.db2.gz YPFYULLFKARISZ-KVSKMBFKSA-N 1 3 383.458 3.027 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@H](C)O1 ZINC000237609424 1433412195 /nfs/dbraw/zinc/41/21/95/1433412195.db2.gz ZVRBATKKGCSGPL-XQBPLPMBSA-N 1 3 376.541 3.223 20 0 GGADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)C[C@H](C)O1 ZINC000237605498 1433412433 /nfs/dbraw/zinc/41/24/33/1433412433.db2.gz QANBHYUXEUHQPK-JQVVWYNYSA-N 1 3 387.568 3.205 20 0 GGADHO O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237684672 1433417163 /nfs/dbraw/zinc/41/71/63/1433417163.db2.gz WTJLWTQNIMMHAC-OAQYLSRUSA-N 1 3 383.923 3.135 20 0 GGADHO C[C@H]1C[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000237714955 1433418712 /nfs/dbraw/zinc/41/87/12/1433418712.db2.gz WIFKORJLFWQQCJ-UGKGYDQZSA-N 1 3 377.532 3.087 20 0 GGADHO O=C(CCC1CC[NH2+]CC1)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000237754881 1433421095 /nfs/dbraw/zinc/42/10/95/1433421095.db2.gz PKWGYGGTRQGXBN-UHFFFAOYSA-N 1 3 393.959 3.079 20 0 GGADHO Cc1ccc(COc2ccc(C[NH2+]CCCN3CCC[C@H](C(N)=O)C3)cc2)cc1 ZINC000237816519 1433425662 /nfs/dbraw/zinc/42/56/62/1433425662.db2.gz BHCXSGIPVWYTCQ-QFIPXVFZSA-N 1 3 395.547 3.251 20 0 GGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237907627 1433433656 /nfs/dbraw/zinc/43/36/56/1433433656.db2.gz VFMAMGNFTQUISB-LJQANCHMSA-N 1 3 383.561 3.323 20 0 GGADHO O=C([C@H]1CC12CC[NH2+]CC2)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000237994392 1433438444 /nfs/dbraw/zinc/43/84/44/1433438444.db2.gz YVWWOJLGXHPNPC-OAQYLSRUSA-N 1 3 381.564 3.423 20 0 GGADHO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000245566991 1433486221 /nfs/dbraw/zinc/48/62/21/1433486221.db2.gz RNEGHJQYKFLIAE-WMZHIEFXSA-N 1 3 379.552 3.156 20 0 GGADHO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000245566991 1433486223 /nfs/dbraw/zinc/48/62/23/1433486223.db2.gz RNEGHJQYKFLIAE-WMZHIEFXSA-N 1 3 379.552 3.156 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245639975 1433494219 /nfs/dbraw/zinc/49/42/19/1433494219.db2.gz DCHVEVSJNTUGGX-KAGYGMCKSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245639975 1433494221 /nfs/dbraw/zinc/49/42/21/1433494221.db2.gz DCHVEVSJNTUGGX-KAGYGMCKSA-N 1 3 384.568 3.165 20 0 GGADHO CCN(CC)Cc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)N2CCOCC2)ccc1OC ZINC000246028039 1433559176 /nfs/dbraw/zinc/55/91/76/1433559176.db2.gz LKGDUAZHFBTCQC-QYZOEREBSA-N 1 3 377.573 3.297 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c2ccccc2)CC1 ZINC000246174959 1433578106 /nfs/dbraw/zinc/57/81/06/1433578106.db2.gz GKHAPDNBVSOANC-CEMLEFRQSA-N 1 3 386.584 3.441 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c2ccccc2)CC1 ZINC000246174959 1433578109 /nfs/dbraw/zinc/57/81/09/1433578109.db2.gz GKHAPDNBVSOANC-CEMLEFRQSA-N 1 3 386.584 3.441 20 0 GGADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc(OC)c1OC ZINC000246496212 1433621019 /nfs/dbraw/zinc/62/10/19/1433621019.db2.gz SGDUUIYRVZSBCZ-KFKAGJAMSA-N 1 3 392.540 3.131 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CN1Cc1ccccc1 ZINC000246510335 1433623238 /nfs/dbraw/zinc/62/32/38/1433623238.db2.gz UAGPMPAUDJHMIR-LCKKVJLRSA-N 1 3 396.579 3.308 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CN1Cc1ccccc1 ZINC000246510335 1433623242 /nfs/dbraw/zinc/62/32/42/1433623242.db2.gz UAGPMPAUDJHMIR-LCKKVJLRSA-N 1 3 396.579 3.308 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246760697 1433661749 /nfs/dbraw/zinc/66/17/49/1433661749.db2.gz YCPNHNYCVPBRML-JTHBVZDNSA-N 1 3 396.579 3.093 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246760697 1433661750 /nfs/dbraw/zinc/66/17/50/1433661750.db2.gz YCPNHNYCVPBRML-JTHBVZDNSA-N 1 3 396.579 3.093 20 0 GGADHO C[C@@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246862641 1433679732 /nfs/dbraw/zinc/67/97/32/1433679732.db2.gz DAENXYVYUOBEHL-RBUKOAKNSA-N 1 3 398.551 3.098 20 0 GGADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246900150 1433684438 /nfs/dbraw/zinc/68/44/38/1433684438.db2.gz XPXNHSZBASBEJE-LEWJYISDSA-N 1 3 387.543 3.372 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccsc1 ZINC000247260013 1433697379 /nfs/dbraw/zinc/69/73/79/1433697379.db2.gz RPIGETCCQNBPMJ-QXAKKESOSA-N 1 3 378.586 3.257 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccsc1 ZINC000247260013 1433697382 /nfs/dbraw/zinc/69/73/82/1433697382.db2.gz RPIGETCCQNBPMJ-QXAKKESOSA-N 1 3 378.586 3.257 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000247292515 1433700948 /nfs/dbraw/zinc/70/09/48/1433700948.db2.gz UNAPDHMOCNOJBK-RBBKRZOGSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000247292515 1433700953 /nfs/dbraw/zinc/70/09/53/1433700953.db2.gz UNAPDHMOCNOJBK-RBBKRZOGSA-N 1 3 386.584 3.413 20 0 GGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000247328379 1433707011 /nfs/dbraw/zinc/70/70/11/1433707011.db2.gz MFWNNXADTDSKAD-IFMALSPDSA-N 1 3 386.584 3.443 20 0 GGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000247328379 1433707020 /nfs/dbraw/zinc/70/70/20/1433707020.db2.gz MFWNNXADTDSKAD-IFMALSPDSA-N 1 3 386.584 3.443 20 0 GGADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247332418 1433708531 /nfs/dbraw/zinc/70/85/31/1433708531.db2.gz JJWFOHCRAWSOQL-YADHBBJMSA-N 1 3 384.568 3.311 20 0 GGADHO COc1cccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000247412417 1433719166 /nfs/dbraw/zinc/71/91/66/1433719166.db2.gz ZISMVNXFCKHMOM-LAUBAEHRSA-N 1 3 381.520 3.243 20 0 GGADHO COc1cccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000247412417 1433719175 /nfs/dbraw/zinc/71/91/75/1433719175.db2.gz ZISMVNXFCKHMOM-LAUBAEHRSA-N 1 3 381.520 3.243 20 0 GGADHO COc1ccc([C@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000247936518 1433756828 /nfs/dbraw/zinc/75/68/28/1433756828.db2.gz CNPAHJPERKAYOI-LAUBAEHRSA-N 1 3 381.520 3.243 20 0 GGADHO COc1ccc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000247936518 1433756835 /nfs/dbraw/zinc/75/68/35/1433756835.db2.gz CNPAHJPERKAYOI-LAUBAEHRSA-N 1 3 381.520 3.243 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CN1C1CC1 ZINC000248035658 1433765071 /nfs/dbraw/zinc/76/50/71/1433765071.db2.gz RLRFSHKJOPMZBW-QWFCFKBJSA-N 1 3 376.589 3.298 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CN1C1CC1 ZINC000248035658 1433765078 /nfs/dbraw/zinc/76/50/78/1433765078.db2.gz RLRFSHKJOPMZBW-QWFCFKBJSA-N 1 3 376.589 3.298 20 0 GGADHO O[C@H](COCc1ccco1)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000248168639 1433776929 /nfs/dbraw/zinc/77/69/29/1433776929.db2.gz UHMDJGDCJXDRFC-FUPPJEDESA-N 1 3 384.520 3.144 20 0 GGADHO O[C@H](COCc1ccco1)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000248168639 1433776933 /nfs/dbraw/zinc/77/69/33/1433776933.db2.gz UHMDJGDCJXDRFC-FUPPJEDESA-N 1 3 384.520 3.144 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCc4cc(F)ccc43)c2)C1 ZINC000248216787 1433780132 /nfs/dbraw/zinc/78/01/32/1433780132.db2.gz ZTMLOSRVPVDAGI-KNQAVFIVSA-N 1 3 381.495 3.300 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCc4cc(F)ccc43)c2)C1 ZINC000248216787 1433780135 /nfs/dbraw/zinc/78/01/35/1433780135.db2.gz ZTMLOSRVPVDAGI-KNQAVFIVSA-N 1 3 381.495 3.300 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCc4cc(F)ccc43)c2)C1 ZINC000248216788 1433780208 /nfs/dbraw/zinc/78/02/08/1433780208.db2.gz ZTMLOSRVPVDAGI-UGKGYDQZSA-N 1 3 381.495 3.300 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCc4cc(F)ccc43)c2)C1 ZINC000248216788 1433780216 /nfs/dbraw/zinc/78/02/16/1433780216.db2.gz ZTMLOSRVPVDAGI-UGKGYDQZSA-N 1 3 381.495 3.300 20 0 GGADHO NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000248388855 1433792903 /nfs/dbraw/zinc/79/29/03/1433792903.db2.gz AGICXKDLKSHTFQ-RJGXRXQPSA-N 1 3 377.532 3.218 20 0 GGADHO COc1cccc(CNC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000248395597 1433795061 /nfs/dbraw/zinc/79/50/61/1433795061.db2.gz JMELCSHWYJKMND-HROJSSOGSA-N 1 3 395.547 3.058 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000248399144 1433796598 /nfs/dbraw/zinc/79/65/98/1433796598.db2.gz OFMGWLICYLINIZ-FZWXVRBQSA-N 1 3 391.559 3.318 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000248402712 1433798577 /nfs/dbraw/zinc/79/85/77/1433798577.db2.gz WAJBUVMERHRDNB-CYGODWOOSA-N 1 3 397.588 3.379 20 0 GGADHO Cc1ccsc1CNC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248402731 1433798741 /nfs/dbraw/zinc/79/87/41/1433798741.db2.gz WDRPKXAZABQPKV-OEWRPIJISA-N 1 3 385.577 3.419 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1F ZINC000248409068 1433800141 /nfs/dbraw/zinc/80/01/41/1433800141.db2.gz WHOLOVCTEIMLEQ-KJXAQDMKSA-N 1 3 395.522 3.446 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1F ZINC000248409068 1433800142 /nfs/dbraw/zinc/80/01/42/1433800142.db2.gz WHOLOVCTEIMLEQ-KJXAQDMKSA-N 1 3 395.522 3.446 20 0 GGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N(C)Cc1ccccc1 ZINC000248411954 1433800605 /nfs/dbraw/zinc/80/06/05/1433800605.db2.gz ZTWGYCJPLGLTCT-ZJOUEHCJSA-N 1 3 386.584 3.459 20 0 GGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N(C)Cc1ccccc1 ZINC000248411954 1433800608 /nfs/dbraw/zinc/80/06/08/1433800608.db2.gz ZTWGYCJPLGLTCT-ZJOUEHCJSA-N 1 3 386.584 3.459 20 0 GGADHO O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCCN1CC(F)(F)F ZINC000248418841 1433801323 /nfs/dbraw/zinc/80/13/23/1433801323.db2.gz UDNCHHBTVGUCIL-FCGDIQPGSA-N 1 3 395.469 3.040 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc([S@](C)=O)cc1 ZINC000248430385 1433801962 /nfs/dbraw/zinc/80/19/62/1433801962.db2.gz BRWLWVHTOQOPDS-WNLMNSNFSA-N 1 3 386.561 3.232 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc([S@](C)=O)cc1 ZINC000248430385 1433801963 /nfs/dbraw/zinc/80/19/63/1433801963.db2.gz BRWLWVHTOQOPDS-WNLMNSNFSA-N 1 3 386.561 3.232 20 0 GGADHO CC(=O)Nc1cccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000248439324 1433802758 /nfs/dbraw/zinc/80/27/58/1433802758.db2.gz ILJKVACNWLROTC-SBUREZEXSA-N 1 3 381.520 3.453 20 0 GGADHO CC(=O)Nc1cccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000248439324 1433802759 /nfs/dbraw/zinc/80/27/59/1433802759.db2.gz ILJKVACNWLROTC-SBUREZEXSA-N 1 3 381.520 3.453 20 0 GGADHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000248455550 1433804096 /nfs/dbraw/zinc/80/40/96/1433804096.db2.gz RNVLDLPOAWARMS-RTWAWAEBSA-N 1 3 382.504 3.265 20 0 GGADHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000248455550 1433804098 /nfs/dbraw/zinc/80/40/98/1433804098.db2.gz RNVLDLPOAWARMS-RTWAWAEBSA-N 1 3 382.504 3.265 20 0 GGADHO COCCOc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000248456327 1433804292 /nfs/dbraw/zinc/80/42/92/1433804292.db2.gz SEVAGGNIWKBGGE-XMSQKQJNSA-N 1 3 384.520 3.129 20 0 GGADHO COCCOc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248456327 1433804293 /nfs/dbraw/zinc/80/42/93/1433804293.db2.gz SEVAGGNIWKBGGE-XMSQKQJNSA-N 1 3 384.520 3.129 20 0 GGADHO COCCc1nc(C)c([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000248458433 1433804408 /nfs/dbraw/zinc/80/44/08/1433804408.db2.gz URGRADMOZXVWTI-DNVCBOLYSA-N 1 3 389.565 3.058 20 0 GGADHO COCCc1nc(C)c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000248458433 1433804410 /nfs/dbraw/zinc/80/44/10/1433804410.db2.gz URGRADMOZXVWTI-DNVCBOLYSA-N 1 3 389.565 3.058 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCO2 ZINC000248458575 1433804469 /nfs/dbraw/zinc/80/44/69/1433804469.db2.gz UVYNAUBBVGZJNP-UWJYYQICSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCO2 ZINC000248458575 1433804470 /nfs/dbraw/zinc/80/44/70/1433804470.db2.gz UVYNAUBBVGZJNP-UWJYYQICSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCO2 ZINC000248458573 1433804552 /nfs/dbraw/zinc/80/45/52/1433804552.db2.gz UVYNAUBBVGZJNP-UTKZUKDTSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCO2 ZINC000248458573 1433804554 /nfs/dbraw/zinc/80/45/54/1433804554.db2.gz UVYNAUBBVGZJNP-UTKZUKDTSA-N 1 3 382.504 3.265 20 0 GGADHO Cc1cc2ncn(C[C@H](O)CN[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000248549406 1433807876 /nfs/dbraw/zinc/80/78/76/1433807876.db2.gz FYDFOTOHFTWOOG-SVFBPWRDSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@H](O)CN[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2cc1C ZINC000248549406 1433807878 /nfs/dbraw/zinc/80/78/78/1433807878.db2.gz FYDFOTOHFTWOOG-SVFBPWRDSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)[C@H]3CCCN(C4CCC4)C3)c2cc1C ZINC000248549406 1433807880 /nfs/dbraw/zinc/80/78/80/1433807880.db2.gz FYDFOTOHFTWOOG-SVFBPWRDSA-N 1 3 384.568 3.257 20 0 GGADHO CCOC(=O)c1csc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000248683159 1433815121 /nfs/dbraw/zinc/81/51/21/1433815121.db2.gz FBYGYJXUZMREGB-IPMKNSEASA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000248683159 1433815122 /nfs/dbraw/zinc/81/51/22/1433815122.db2.gz FBYGYJXUZMREGB-IPMKNSEASA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000248683159 1433815124 /nfs/dbraw/zinc/81/51/24/1433815124.db2.gz FBYGYJXUZMREGB-IPMKNSEASA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000248683156 1433815215 /nfs/dbraw/zinc/81/52/15/1433815215.db2.gz FBYGYJXUZMREGB-GUDVDZBRSA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000248683156 1433815216 /nfs/dbraw/zinc/81/52/16/1433815216.db2.gz FBYGYJXUZMREGB-GUDVDZBRSA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)n1 ZINC000248683156 1433815218 /nfs/dbraw/zinc/81/52/18/1433815218.db2.gz FBYGYJXUZMREGB-GUDVDZBRSA-N 1 3 399.560 3.363 20 0 GGADHO O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248788244 1433822648 /nfs/dbraw/zinc/82/26/48/1433822648.db2.gz CYTLLUSBFLXWBC-OEMFJLHTSA-N 1 3 389.543 3.185 20 0 GGADHO O=C1c2ccccc2CCN1CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248788244 1433822649 /nfs/dbraw/zinc/82/26/49/1433822649.db2.gz CYTLLUSBFLXWBC-OEMFJLHTSA-N 1 3 389.543 3.185 20 0 GGADHO O=C1c2ccccc2CCN1CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248788244 1433822650 /nfs/dbraw/zinc/82/26/50/1433822650.db2.gz CYTLLUSBFLXWBC-OEMFJLHTSA-N 1 3 389.543 3.185 20 0 GGADHO C[C@@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248826572 1433824340 /nfs/dbraw/zinc/82/43/40/1433824340.db2.gz MAMXYBSDHDYKRR-ZNTQHIFFSA-N 1 3 398.595 3.459 20 0 GGADHO C[C@@H](NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248826572 1433824342 /nfs/dbraw/zinc/82/43/42/1433824342.db2.gz MAMXYBSDHDYKRR-ZNTQHIFFSA-N 1 3 398.595 3.459 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@@H](C)C1 ZINC000249127196 1433836609 /nfs/dbraw/zinc/83/66/09/1433836609.db2.gz RHYIRWGVSJGZGW-AVRDEDQJSA-N 1 3 388.531 3.297 20 0 GGADHO CCN(C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249271839 1433840047 /nfs/dbraw/zinc/84/00/47/1433840047.db2.gz BLWNSAZSPCUKOL-FGZHOGPDSA-N 1 3 386.584 3.270 20 0 GGADHO CCN(C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000249271839 1433840048 /nfs/dbraw/zinc/84/00/48/1433840048.db2.gz BLWNSAZSPCUKOL-FGZHOGPDSA-N 1 3 386.584 3.270 20 0 GGADHO CCN(C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000249373829 1433841919 /nfs/dbraw/zinc/84/19/19/1433841919.db2.gz XLPVVYYVVUICMS-YADHBBJMSA-N 1 3 386.584 3.413 20 0 GGADHO CCN(C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000249373829 1433841920 /nfs/dbraw/zinc/84/19/20/1433841920.db2.gz XLPVVYYVVUICMS-YADHBBJMSA-N 1 3 386.584 3.413 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)[C@H](C)C1 ZINC000249461962 1433844418 /nfs/dbraw/zinc/84/44/18/1433844418.db2.gz QZQMFDUXDLLVRI-AUYGFBLUSA-N 1 3 381.605 3.042 20 0 GGADHO CC(C)C[C@@H]1OCCC[C@H]1NCC1(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)COC1 ZINC000249487895 1433844773 /nfs/dbraw/zinc/84/47/73/1433844773.db2.gz YPEIMVSPXDNZPX-LRSLUSHPSA-N 1 3 396.616 3.370 20 0 GGADHO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC1(CN[C@H]2CCCO[C@H]2CC(C)C)COC1 ZINC000249487895 1433844774 /nfs/dbraw/zinc/84/47/74/1433844774.db2.gz YPEIMVSPXDNZPX-LRSLUSHPSA-N 1 3 396.616 3.370 20 0 GGADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000251573955 1433859064 /nfs/dbraw/zinc/85/90/64/1433859064.db2.gz VDWVQZYKVMACDS-OIBXWCBGSA-N 1 3 392.547 3.396 20 0 GGADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000251573955 1433859065 /nfs/dbraw/zinc/85/90/65/1433859065.db2.gz VDWVQZYKVMACDS-OIBXWCBGSA-N 1 3 392.547 3.396 20 0 GGADHO O=C(N1CCC2(CC[NH2+]C2)CC1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000261876998 1433908872 /nfs/dbraw/zinc/90/88/72/1433908872.db2.gz SXGSGSSCBSOJAO-FQEVSTJZSA-N 1 3 395.469 3.043 20 0 GGADHO O=C(N1CCC2(CC[NH2+]C2)CC1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000261877000 1433908893 /nfs/dbraw/zinc/90/88/93/1433908893.db2.gz SXGSGSSCBSOJAO-HXUWFJFHSA-N 1 3 395.469 3.043 20 0 GGADHO O=C(Nc1cccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1)c1ccccc1Cl ZINC000262068738 1433925657 /nfs/dbraw/zinc/92/56/57/1433925657.db2.gz BTVSKCLWXVKJQV-LJQANCHMSA-N 1 3 398.938 3.072 20 0 GGADHO COc1ccccc1-c1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000262120312 1433927575 /nfs/dbraw/zinc/92/75/75/1433927575.db2.gz XEWWFBFUTKAGSY-FQEVSTJZSA-N 1 3 381.520 3.182 20 0 GGADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1(C)C ZINC000262468751 1433940420 /nfs/dbraw/zinc/94/04/20/1433940420.db2.gz GQAAKZIHPXFRGZ-REWPJTCUSA-N 1 3 387.568 3.067 20 0 GGADHO COc1ccc([C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000262626470 1433946880 /nfs/dbraw/zinc/94/68/80/1433946880.db2.gz CBOSOVJSRYRNEP-WTNAPCKOSA-N 1 3 381.520 3.284 20 0 GGADHO C[C@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000262631423 1433947159 /nfs/dbraw/zinc/94/71/59/1433947159.db2.gz FITHHDVPNUVRBU-HTAPYJJXSA-N 1 3 381.520 3.166 20 0 GGADHO C[C@H]1CN(CCC2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000262697283 1433950429 /nfs/dbraw/zinc/95/04/29/1433950429.db2.gz XXYWVJDPOXBZSS-OALUTQOASA-N 1 3 379.589 3.024 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000262761800 1433954239 /nfs/dbraw/zinc/95/42/39/1433954239.db2.gz DNEIPCUEABEYTG-CLWLKPMESA-N 1 3 387.568 3.030 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000262761800 1433954242 /nfs/dbraw/zinc/95/42/42/1433954242.db2.gz DNEIPCUEABEYTG-CLWLKPMESA-N 1 3 387.568 3.030 20 0 GGADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1(C)C ZINC000262763504 1433954905 /nfs/dbraw/zinc/95/49/05/1433954905.db2.gz FGQCKVYMMVIKMN-REWPJTCUSA-N 1 3 387.568 3.067 20 0 GGADHO C[C@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)N1CCC(Cc2ccccc2)CC1 ZINC000262776494 1433955448 /nfs/dbraw/zinc/95/54/48/1433955448.db2.gz JOAGFWJMFJQGRS-GOSISDBHSA-N 1 3 377.532 3.249 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1(C)C ZINC000262818690 1433958461 /nfs/dbraw/zinc/95/84/61/1433958461.db2.gz XNWDYUHYYWOLLE-HCLVMJGWSA-N 1 3 387.568 3.210 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000262818690 1433958464 /nfs/dbraw/zinc/95/84/64/1433958464.db2.gz XNWDYUHYYWOLLE-HCLVMJGWSA-N 1 3 387.568 3.210 20 0 GGADHO C[C@]([NH3+])(C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000262858226 1433961703 /nfs/dbraw/zinc/96/17/03/1433961703.db2.gz KWKGBXLFWAIZLW-AZUAARDMSA-N 1 3 391.437 3.270 20 0 GGADHO C[C@@]([NH3+])(C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000262858227 1433961851 /nfs/dbraw/zinc/96/18/51/1433961851.db2.gz KWKGBXLFWAIZLW-ICSRJNTNSA-N 1 3 391.437 3.270 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1cccc(OC)c1 ZINC000263229738 1433996938 /nfs/dbraw/zinc/99/69/38/1433996938.db2.gz HQCLZQQUGQEHDZ-JWDOZVDXSA-N 1 3 387.568 3.348 20 0 GGADHO COc1ccc([C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])N2CCCC2)cc1 ZINC000263225831 1433996940 /nfs/dbraw/zinc/99/69/40/1433996940.db2.gz GMGSDZLJJLKROJ-JWDOZVDXSA-N 1 3 385.552 3.102 20 0 GGADHO Cc1ccccc1[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000263697225 1434022373 /nfs/dbraw/zinc/02/23/73/1434022373.db2.gz HQZZBCPZZAIEOV-LJQANCHMSA-N 1 3 384.568 3.053 20 0 GGADHO CCCOc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1OC ZINC000265502317 1434240199 /nfs/dbraw/zinc/24/01/99/1434240199.db2.gz DDLNIWYHLUASCK-UHFFFAOYSA-N 1 3 399.535 3.065 20 0 GGADHO CN1CCC(O)(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000265886101 1434278203 /nfs/dbraw/zinc/27/82/03/1434278203.db2.gz PXMOQIOODDETJV-UHFFFAOYSA-N 1 3 396.560 3.206 20 0 GGADHO CN1CCC(O)(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000265898674 1434279937 /nfs/dbraw/zinc/27/99/37/1434279937.db2.gz UFTWDXRAZRPVAY-UHFFFAOYSA-N 1 3 382.533 3.147 20 0 GGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000266426784 1434334777 /nfs/dbraw/zinc/33/47/77/1434334777.db2.gz RFVVGWWUFMPIMS-ICSRJNTNSA-N 1 3 397.485 3.241 20 0 GGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000266426784 1434334778 /nfs/dbraw/zinc/33/47/78/1434334778.db2.gz RFVVGWWUFMPIMS-ICSRJNTNSA-N 1 3 397.485 3.241 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCc4c3cccc4F)c2)C1 ZINC000267078587 1434406016 /nfs/dbraw/zinc/40/60/16/1434406016.db2.gz UNPPQRIRBSDWRF-AVRDEDQJSA-N 1 3 381.495 3.300 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCc4c3cccc4F)c2)C1 ZINC000267078587 1434406018 /nfs/dbraw/zinc/40/60/18/1434406018.db2.gz UNPPQRIRBSDWRF-AVRDEDQJSA-N 1 3 381.495 3.300 20 0 GGADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(OC)ccc1OCc1ccccn1 ZINC000267874553 1434472594 /nfs/dbraw/zinc/47/25/94/1434472594.db2.gz MPMADGRTVBAZOI-NRFANRHFSA-N 1 3 387.524 3.116 20 0 GGADHO COc1ccc([C@H](CNC(=O)c2sccc2CN(C)C)[NH+]2CCCC2)cc1 ZINC000268103863 1434495009 /nfs/dbraw/zinc/49/50/09/1434495009.db2.gz LGUFVIVENQIDFQ-IBGZPJMESA-N 1 3 387.549 3.385 20 0 GGADHO C[C@H]1C[C@@H](NCc2ccccc2Cn2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC000268760184 1434553802 /nfs/dbraw/zinc/55/38/02/1434553802.db2.gz LAXSMLHOXQQMMD-CVDCTZTESA-N 1 3 375.520 3.469 20 0 GGADHO C[C@H]1C[C@@H](NCc2ccccc2Cn2cncn2)CC[N@H+]1Cc1ccccc1 ZINC000268760184 1434553804 /nfs/dbraw/zinc/55/38/04/1434553804.db2.gz LAXSMLHOXQQMMD-CVDCTZTESA-N 1 3 375.520 3.469 20 0 GGADHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268770893 1434555178 /nfs/dbraw/zinc/55/51/78/1434555178.db2.gz SLCGIONEMPONKH-MTNREXPMSA-N 1 3 384.520 3.237 20 0 GGADHO COc1ccc(OC)c([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268770893 1434555181 /nfs/dbraw/zinc/55/51/81/1434555181.db2.gz SLCGIONEMPONKH-MTNREXPMSA-N 1 3 384.520 3.237 20 0 GGADHO CC[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccccc1OCC(=O)N(C)C ZINC000268775152 1434556018 /nfs/dbraw/zinc/55/60/18/1434556018.db2.gz VGIKVHQCUFEXFG-NRFANRHFSA-N 1 3 383.536 3.456 20 0 GGADHO Cc1ccsc1CN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000268780809 1434556438 /nfs/dbraw/zinc/55/64/38/1434556438.db2.gz AIIDVTZERIIIOW-MRXNPFEDSA-N 1 3 395.594 3.137 20 0 GGADHO COc1ccc2c(c1)[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000268815519 1434560582 /nfs/dbraw/zinc/56/05/82/1434560582.db2.gz FJHBJLJONLFYGS-JOCHJYFZSA-N 1 3 381.520 3.154 20 0 GGADHO C[C@@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268859582 1434565286 /nfs/dbraw/zinc/56/52/86/1434565286.db2.gz FOJRUAIZUOIRAA-GOSISDBHSA-N 1 3 399.535 3.431 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000268859377 1434565327 /nfs/dbraw/zinc/56/53/27/1434565327.db2.gz YIHXAJVLCSATDH-XUZZJYLKSA-N 1 3 387.612 3.420 20 0 GGADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(-n2cccn2)cc1 ZINC000268872900 1434566706 /nfs/dbraw/zinc/56/67/06/1434566706.db2.gz UYJADFNKIZPPAR-GOSISDBHSA-N 1 3 391.519 3.015 20 0 GGADHO COc1cccc2c1CC[C@H]2NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268875020 1434566907 /nfs/dbraw/zinc/56/69/07/1434566907.db2.gz GTWFUXVZLQCRDP-DENIHFKCSA-N 1 3 393.531 3.170 20 0 GGADHO COc1cccc2c1CC[C@H]2NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268875020 1434566910 /nfs/dbraw/zinc/56/69/10/1434566910.db2.gz GTWFUXVZLQCRDP-DENIHFKCSA-N 1 3 393.531 3.170 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268883563 1434567563 /nfs/dbraw/zinc/56/75/63/1434567563.db2.gz IMZZYYPGNYOAQV-DHJUGAMNSA-N 1 3 384.520 3.380 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268883563 1434567565 /nfs/dbraw/zinc/56/75/65/1434567565.db2.gz IMZZYYPGNYOAQV-DHJUGAMNSA-N 1 3 384.520 3.380 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268883565 1434567707 /nfs/dbraw/zinc/56/77/07/1434567707.db2.gz IMZZYYPGNYOAQV-KPDCDPCYSA-N 1 3 384.520 3.380 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268883565 1434567710 /nfs/dbraw/zinc/56/77/10/1434567710.db2.gz IMZZYYPGNYOAQV-KPDCDPCYSA-N 1 3 384.520 3.380 20 0 GGADHO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000269249633 1434613316 /nfs/dbraw/zinc/61/33/16/1434613316.db2.gz GIZBXKINLXOLJQ-UXHICEINSA-N 1 3 378.520 3.075 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000269620813 1434663988 /nfs/dbraw/zinc/66/39/88/1434663988.db2.gz PWUNTRZRRYACGO-GOSISDBHSA-N 1 3 387.572 3.171 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3Cc4ccccc4C(C)(C)C3)CC2)CC1 ZINC000270377412 1434727997 /nfs/dbraw/zinc/72/79/97/1434727997.db2.gz XHPGKGDSGLZLTJ-UHFFFAOYSA-N 1 3 384.568 3.048 20 0 GGADHO CC[C@@H](C)[C@@H]1CN(CCCn2ccnc2C)CC[N@@H+]1CCCn1ccnc1C ZINC000270619173 1434751610 /nfs/dbraw/zinc/75/16/10/1434751610.db2.gz JRFQHUQXHFABHZ-KNQAVFIVSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@@H](C)[C@@H]1CN(CCCn2ccnc2C)CC[N@H+]1CCCn1ccnc1C ZINC000270619173 1434751613 /nfs/dbraw/zinc/75/16/13/1434751613.db2.gz JRFQHUQXHFABHZ-KNQAVFIVSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@@H](C)[C@@H]1C[N@H+](CCCn2ccnc2C)CCN1CCCn1ccnc1C ZINC000270619173 1434751615 /nfs/dbraw/zinc/75/16/15/1434751615.db2.gz JRFQHUQXHFABHZ-KNQAVFIVSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@@H](C)[C@@H]1C[N@@H+](CCCn2ccnc2C)CCN1CCCn1ccnc1C ZINC000270619173 1434751618 /nfs/dbraw/zinc/75/16/18/1434751618.db2.gz JRFQHUQXHFABHZ-KNQAVFIVSA-N 1 3 386.588 3.209 20 0 GGADHO CC(C)[NH+]1CCN(C2CCN(C[C@H](O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000270830887 1434779321 /nfs/dbraw/zinc/77/93/21/1434779321.db2.gz CQVNYOXHNLEOFO-FQEVSTJZSA-N 1 3 399.501 3.229 20 0 GGADHO CC(C)[NH+]1CCN(C2CCN(C[C@@H](O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000270830890 1434779362 /nfs/dbraw/zinc/77/93/62/1434779362.db2.gz CQVNYOXHNLEOFO-HXUWFJFHSA-N 1 3 399.501 3.229 20 0 GGADHO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(N4CCN(C(C)C)CC4)CC3)cc2)n1 ZINC000270995956 1434794239 /nfs/dbraw/zinc/79/42/39/1434794239.db2.gz YKJRAWPWMUPZNG-UHFFFAOYSA-N 1 3 395.595 3.480 20 0 GGADHO CC(C)[NH+]1CCN(C2CCN(CCOc3ccc(F)cc3Cl)CC2)CC1 ZINC000271438765 1434824757 /nfs/dbraw/zinc/82/47/57/1434824757.db2.gz UZLKXCREVZVSCC-UHFFFAOYSA-N 1 3 383.939 3.348 20 0 GGADHO C[C@H]1C[C@H](NCCNC(=O)c2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000271470501 1434827368 /nfs/dbraw/zinc/82/73/68/1434827368.db2.gz LUYKONXWGUVUIK-FUHWJXTLSA-N 1 3 387.474 3.337 20 0 GGADHO C[C@H]1C[C@H](NCCNC(=O)c2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000271470501 1434827370 /nfs/dbraw/zinc/82/73/70/1434827370.db2.gz LUYKONXWGUVUIK-FUHWJXTLSA-N 1 3 387.474 3.337 20 0 GGADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1OC(F)F ZINC000271537324 1434833080 /nfs/dbraw/zinc/83/30/80/1434833080.db2.gz SCRCHKFLAIRGNH-IAOVAPTHSA-N 1 3 384.467 3.325 20 0 GGADHO CN1CCC([NH+]2CCC(NCc3cccc(C(=O)OC(C)(C)C)c3)CC2)CC1 ZINC000272094056 1434871718 /nfs/dbraw/zinc/87/17/18/1434871718.db2.gz FBRKLNOSDCRESN-UHFFFAOYSA-N 1 3 387.568 3.290 20 0 GGADHO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272160664 1434875484 /nfs/dbraw/zinc/87/54/84/1434875484.db2.gz DMBSQJVDVIMLFY-CGTJXYLNSA-N 1 3 383.458 3.040 20 0 GGADHO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272160671 1434875567 /nfs/dbraw/zinc/87/55/67/1434875567.db2.gz DMBSQJVDVIMLFY-SZMVWBNQSA-N 1 3 383.458 3.040 20 0 GGADHO C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000272307456 1434886011 /nfs/dbraw/zinc/88/60/11/1434886011.db2.gz IBIIUPNVMYUCCE-WFXMLNOXSA-N 1 3 376.508 3.224 20 0 GGADHO C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000272307456 1434886012 /nfs/dbraw/zinc/88/60/12/1434886012.db2.gz IBIIUPNVMYUCCE-WFXMLNOXSA-N 1 3 376.508 3.224 20 0 GGADHO COCC[NH+]1CCC(N[C@@H]2C[C@H](NC(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000272508457 1434901835 /nfs/dbraw/zinc/90/18/35/1434901835.db2.gz FWEYALOVFFIKFP-UXHICEINSA-N 1 3 389.540 3.398 20 0 GGADHO C[C@H](NCc1ccc(Cn2cncn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272668509 1434921137 /nfs/dbraw/zinc/92/11/37/1434921137.db2.gz OSHQSZFYVHHGTR-WMZHIEFXSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@H](NCc1ccc(Cn2cncn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272668509 1434921142 /nfs/dbraw/zinc/92/11/42/1434921142.db2.gz OSHQSZFYVHHGTR-WMZHIEFXSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272668509 1434921144 /nfs/dbraw/zinc/92/11/44/1434921144.db2.gz OSHQSZFYVHHGTR-WMZHIEFXSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272686438 1434922587 /nfs/dbraw/zinc/92/25/87/1434922587.db2.gz UNWGLYNNFYCCGM-FUHWJXTLSA-N 1 3 387.474 3.195 20 0 GGADHO C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272686442 1434922617 /nfs/dbraw/zinc/92/26/17/1434922617.db2.gz UNWGLYNNFYCCGM-WMZOPIPTSA-N 1 3 387.474 3.195 20 0 GGADHO COc1cc(C)c([C@@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C ZINC000273172846 1434968798 /nfs/dbraw/zinc/96/87/98/1434968798.db2.gz MRYCOSWIVIXJTG-GOSISDBHSA-N 1 3 383.536 3.454 20 0 GGADHO Cc1cccc([C@H]2CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)c1 ZINC000273218224 1434973244 /nfs/dbraw/zinc/97/32/44/1434973244.db2.gz UTJLJYKNPZATNE-FQEVSTJZSA-N 1 3 384.568 3.053 20 0 GGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000273499162 1434992760 /nfs/dbraw/zinc/99/27/60/1434992760.db2.gz YFIQHBASZPESQE-SJLPKXTDSA-N 1 3 378.586 3.257 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000273987648 1435034738 /nfs/dbraw/zinc/03/47/38/1435034738.db2.gz JIRJBMVXFXSHSV-JOCHJYFZSA-N 1 3 384.568 3.482 20 0 GGADHO CC(=O)c1cccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274784945 1435092329 /nfs/dbraw/zinc/09/23/29/1435092329.db2.gz AQUHYMPEIDBYHM-KUWBRRTOSA-N 1 3 396.531 3.129 20 0 GGADHO CC(=O)c1cccc(OC[C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274784945 1435092330 /nfs/dbraw/zinc/09/23/30/1435092330.db2.gz AQUHYMPEIDBYHM-KUWBRRTOSA-N 1 3 396.531 3.129 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000274821176 1435095449 /nfs/dbraw/zinc/09/54/49/1435095449.db2.gz GXTBTBKFUKNMCY-HIUFNZKISA-N 1 3 389.584 3.021 20 0 GGADHO CC(C)[NH+]1CCN(C2CCN(C[C@@H](O)c3ccc(F)cc3Cl)CC2)CC1 ZINC000274844523 1435097449 /nfs/dbraw/zinc/09/74/49/1435097449.db2.gz PHFIGSGNXHYCPV-HXUWFJFHSA-N 1 3 383.939 3.003 20 0 GGADHO COc1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1OCCO ZINC000274872521 1435100037 /nfs/dbraw/zinc/10/00/37/1435100037.db2.gz FXUYMQCAJHIJRE-NQIIRXRSSA-N 1 3 384.520 3.067 20 0 GGADHO C[C@@H](NCc1ccccc1Cn1cncn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274894721 1435101489 /nfs/dbraw/zinc/10/14/89/1435101489.db2.gz JZQIFEHTJSAMRW-DENIHFKCSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@@H](NCc1ccccc1Cn1cncn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274894721 1435101491 /nfs/dbraw/zinc/10/14/91/1435101491.db2.gz JZQIFEHTJSAMRW-DENIHFKCSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274894721 1435101494 /nfs/dbraw/zinc/10/14/94/1435101494.db2.gz JZQIFEHTJSAMRW-DENIHFKCSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@@H](NCc1ccccc1Cn1cncn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274894722 1435101555 /nfs/dbraw/zinc/10/15/55/1435101555.db2.gz JZQIFEHTJSAMRW-KNQAVFIVSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@@H](NCc1ccccc1Cn1cncn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274894722 1435101559 /nfs/dbraw/zinc/10/15/59/1435101559.db2.gz JZQIFEHTJSAMRW-KNQAVFIVSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274894722 1435101560 /nfs/dbraw/zinc/10/15/60/1435101560.db2.gz JZQIFEHTJSAMRW-KNQAVFIVSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274903692 1435102569 /nfs/dbraw/zinc/10/25/69/1435102569.db2.gz LSBYODIMVDCEFO-XMSQKQJNSA-N 1 3 386.561 3.231 20 0 GGADHO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1 ZINC000275399690 1435136632 /nfs/dbraw/zinc/13/66/32/1435136632.db2.gz CJSMYNBCYKSRNQ-FPQOSCNCSA-N 1 3 380.536 3.140 20 0 GGADHO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000275532391 1435146206 /nfs/dbraw/zinc/14/62/06/1435146206.db2.gz LYUIFJZCXPHMQF-XIFQGDJWSA-N 1 3 394.563 3.481 20 0 GGADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@H]3C2)cc1 ZINC000277032551 1435254235 /nfs/dbraw/zinc/25/42/35/1435254235.db2.gz FKSKHDDEQRLMQU-PMVMPFDFSA-N 1 3 391.563 3.336 20 0 GGADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@H]3C2)cc1 ZINC000277032546 1435254268 /nfs/dbraw/zinc/25/42/68/1435254268.db2.gz FKSKHDDEQRLMQU-ACIOBRDBSA-N 1 3 391.563 3.336 20 0 GGADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000277364740 1435298993 /nfs/dbraw/zinc/29/89/93/1435298993.db2.gz UZOKOXUAUXVUAV-UYAOXDASSA-N 1 3 397.485 3.384 20 0 GGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000277727120 1435324912 /nfs/dbraw/zinc/32/49/12/1435324912.db2.gz GUBFNGCZIMCTQQ-GOSISDBHSA-N 1 3 376.570 3.059 20 0 GGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000277727121 1435325011 /nfs/dbraw/zinc/32/50/11/1435325011.db2.gz GUBFNGCZIMCTQQ-SFHVURJKSA-N 1 3 376.570 3.059 20 0 GGADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cn1cccn1 ZINC000278371591 1435384715 /nfs/dbraw/zinc/38/47/15/1435384715.db2.gz BZGHCNPNMKHCLI-RBUKOAKNSA-N 1 3 386.540 3.092 20 0 GGADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1Cn1cccn1 ZINC000278371591 1435384717 /nfs/dbraw/zinc/38/47/17/1435384717.db2.gz BZGHCNPNMKHCLI-RBUKOAKNSA-N 1 3 386.540 3.092 20 0 GGADHO CCCN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000279104959 1435460958 /nfs/dbraw/zinc/46/09/58/1435460958.db2.gz XRIXHNPNOULYBH-UXHICEINSA-N 1 3 395.551 3.003 20 0 GGADHO CC(C)N1CCN(C2CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000279794470 1435544183 /nfs/dbraw/zinc/54/41/83/1435544183.db2.gz VRONEFUVYRGAKJ-VWLOTQADSA-N 1 3 395.591 3.234 20 0 GGADHO COc1cc2c(cc1OC)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000279961699 1435570018 /nfs/dbraw/zinc/57/00/18/1435570018.db2.gz CIDRXHOIBVXLHC-IRLDBZIGSA-N 1 3 396.531 3.438 20 0 GGADHO COc1cc2c(cc1OC)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000279961699 1435570021 /nfs/dbraw/zinc/57/00/21/1435570021.db2.gz CIDRXHOIBVXLHC-IRLDBZIGSA-N 1 3 396.531 3.438 20 0 GGADHO CN(c1ccccc1)c1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cn1 ZINC000280542972 1435676792 /nfs/dbraw/zinc/67/67/92/1435676792.db2.gz DBDHXBCVGCWWOV-FCHUYYIVSA-N 1 3 380.536 3.317 20 0 GGADHO CN(c1ccccc1)c1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000280701219 1435706118 /nfs/dbraw/zinc/70/61/18/1435706118.db2.gz SKEOVFMZKLBLJN-UHFFFAOYSA-N 1 3 393.579 3.498 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H](c3cccnc3)C3CCC3)c2)C1 ZINC000280923680 1435742315 /nfs/dbraw/zinc/74/23/15/1435742315.db2.gz RFTQNJXVYLGTLR-DHIUTWEWSA-N 1 3 392.547 3.410 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H](c3cccnc3)C3CCC3)c2)C1 ZINC000280923680 1435742320 /nfs/dbraw/zinc/74/23/20/1435742320.db2.gz RFTQNJXVYLGTLR-DHIUTWEWSA-N 1 3 392.547 3.410 20 0 GGADHO CC(C)[NH+]1CCN(CCCN[C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000282051041 1435832642 /nfs/dbraw/zinc/83/26/42/1435832642.db2.gz LZUXVYAPTCISRL-MRXNPFEDSA-N 1 3 379.499 3.498 20 0 GGADHO Cn1cc(-c2ccc(CNCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)s2)cn1 ZINC000282156135 1435836672 /nfs/dbraw/zinc/83/66/72/1435836672.db2.gz CJVAJDMQVBCFQK-HXUWFJFHSA-N 1 3 396.560 3.395 20 0 GGADHO Cn1cc(-c2ccc(CNCc3ccccc3C[N@H+]3CCC[C@@H]3CO)s2)cn1 ZINC000282156135 1435836673 /nfs/dbraw/zinc/83/66/73/1435836673.db2.gz CJVAJDMQVBCFQK-HXUWFJFHSA-N 1 3 396.560 3.395 20 0 GGADHO O=C(c1ccccc1)N1CC[C@@H](CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000282411999 1435846282 /nfs/dbraw/zinc/84/62/82/1435846282.db2.gz GALFJZPBXDDOBN-OEMFJLHTSA-N 1 3 389.543 3.213 20 0 GGADHO O=C(c1ccccc1)N1CC[C@@H](CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000282411999 1435846283 /nfs/dbraw/zinc/84/62/83/1435846283.db2.gz GALFJZPBXDDOBN-OEMFJLHTSA-N 1 3 389.543 3.213 20 0 GGADHO CCOC(=O)[C@@H]1CC[C@H](NCC2([NH+]3CCCC3)CCOCC2)c2ccccc21 ZINC000283189473 1435878473 /nfs/dbraw/zinc/87/84/73/1435878473.db2.gz KLKHDXBMGSRYEZ-RTWAWAEBSA-N 1 3 386.536 3.403 20 0 GGADHO CC(C)N1CCN(CCC[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000283320070 1435884225 /nfs/dbraw/zinc/88/42/25/1435884225.db2.gz OQRBHNNLEYGGCX-FCHUYYIVSA-N 1 3 377.548 3.394 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000283320070 1435884226 /nfs/dbraw/zinc/88/42/26/1435884226.db2.gz OQRBHNNLEYGGCX-FCHUYYIVSA-N 1 3 377.548 3.394 20 0 GGADHO CC(C)N1CCN(CCC[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000283320080 1435884240 /nfs/dbraw/zinc/88/42/40/1435884240.db2.gz OQRBHNNLEYGGCX-VXKWHMMOSA-N 1 3 377.548 3.394 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000283320080 1435884241 /nfs/dbraw/zinc/88/42/41/1435884241.db2.gz OQRBHNNLEYGGCX-VXKWHMMOSA-N 1 3 377.548 3.394 20 0 GGADHO O[C@@H]1[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC12CCOCC2 ZINC000283468542 1435891196 /nfs/dbraw/zinc/89/11/96/1435891196.db2.gz WAVSNMQABCCXSI-VJFDXUIRSA-N 1 3 384.564 3.054 20 0 GGADHO Clc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2c(n1)CNCC2 ZINC001164629899 719093989 /nfs/dbraw/zinc/09/39/89/719093989.db2.gz UCNHHZGWWCFZSM-UWJYYQICSA-N 1 3 382.939 3.482 20 0 GGADHO Clc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2c(n1)CNCC2 ZINC001164629899 719093993 /nfs/dbraw/zinc/09/39/93/719093993.db2.gz UCNHHZGWWCFZSM-UWJYYQICSA-N 1 3 382.939 3.482 20 0 GGADHO CN(C)Cc1ccnc(N(c2cccc(F)c2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164647273 719297073 /nfs/dbraw/zinc/29/70/73/719297073.db2.gz DGVDWSBEXOWXHZ-IRLDBZIGSA-N 1 3 384.499 3.332 20 0 GGADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(N3CCCC3)cc3ccccc32)C1 ZINC001164735513 720526535 /nfs/dbraw/zinc/52/65/35/720526535.db2.gz ZALNJGWYHNKRQH-GOSISDBHSA-N 1 3 390.535 3.230 20 0 GGADHO Cc1nc(N(C)C)cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841003 720665833 /nfs/dbraw/zinc/66/58/33/720665833.db2.gz OOWYEBXACKGQNB-HXUWFJFHSA-N 1 3 395.551 3.111 20 0 GGADHO Cc1nc(N(C)C)cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164841003 720665844 /nfs/dbraw/zinc/66/58/44/720665844.db2.gz OOWYEBXACKGQNB-HXUWFJFHSA-N 1 3 395.551 3.111 20 0 GGADHO CC(C)N(C)Cc1cnc2n1CCN(c1ccc(C[NH+]3CCCC3)cn1)[C@H]2C ZINC001164857227 720998506 /nfs/dbraw/zinc/99/85/06/720998506.db2.gz DSSQXJRMYFAOQJ-SFHVURJKSA-N 1 3 382.556 3.295 20 0 GGADHO Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CCN3C2)c1 ZINC001164906772 721544099 /nfs/dbraw/zinc/54/40/99/721544099.db2.gz LHOVFLXVXYIMRQ-FPOVZHCZSA-N 1 3 382.483 3.163 20 0 GGADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[N@@H+]3C2)c1 ZINC001164906424 721565266 /nfs/dbraw/zinc/56/52/66/721565266.db2.gz IZZBNKQOBLGPQE-IFMALSPDSA-N 1 3 396.510 3.158 20 0 GGADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncccc4CN4CCCC4)CC[N@H+]3C2)c1 ZINC001164906424 721565269 /nfs/dbraw/zinc/56/52/69/721565269.db2.gz IZZBNKQOBLGPQE-IFMALSPDSA-N 1 3 396.510 3.158 20 0 GGADHO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncccc4CN4CCCC4)CC[N@@H+]3C2)c1 ZINC001164906426 721565415 /nfs/dbraw/zinc/56/54/15/721565415.db2.gz IZZBNKQOBLGPQE-RBBKRZOGSA-N 1 3 396.510 3.158 20 0 GGADHO Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncccc4CN4CCCC4)CC[N@H+]3C2)c1 ZINC001164906426 721565419 /nfs/dbraw/zinc/56/54/19/721565419.db2.gz IZZBNKQOBLGPQE-RBBKRZOGSA-N 1 3 396.510 3.158 20 0 GGADHO Cc1nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)cc(N(C)C)[nH+]1 ZINC001164908914 721746725 /nfs/dbraw/zinc/74/67/25/721746725.db2.gz OHDCOEAHFMRLKU-UHFFFAOYSA-N 1 3 392.507 3.034 20 0 GGADHO CN(C)Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027561 721827540 /nfs/dbraw/zinc/82/75/40/721827540.db2.gz SQTJEPJGKZLPJF-BVSLBCMMSA-N 1 3 379.552 3.275 20 0 GGADHO CN(C)Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165027561 721827541 /nfs/dbraw/zinc/82/75/41/721827541.db2.gz SQTJEPJGKZLPJF-BVSLBCMMSA-N 1 3 379.552 3.275 20 0 GGADHO c1cc2c[nH+]c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)cc2[nH]1 ZINC001164959510 722052755 /nfs/dbraw/zinc/05/27/55/722052755.db2.gz LOIZNTQNFUTKPW-UHFFFAOYSA-N 1 3 377.492 3.077 20 0 GGADHO Cn1ccc2c1cc[nH+]c2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164958806 722054010 /nfs/dbraw/zinc/05/40/10/722054010.db2.gz GNMSHRYSKGUILQ-UHFFFAOYSA-N 1 3 391.519 3.087 20 0 GGADHO Cc1cc2[nH]ccc2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)[nH+]1 ZINC001164963877 722056538 /nfs/dbraw/zinc/05/65/38/722056538.db2.gz PKLANOGYCMMTRK-UHFFFAOYSA-N 1 3 391.519 3.385 20 0 GGADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOc2ccccc2-c2nnn[n-]2)CC1 ZINC001576163960 949545931 /nfs/dbraw/zinc/54/59/31/949545931.db2.gz DPBRWZRWQYPMKL-GOSISDBHSA-N 1 3 398.555 3.222 20 0 GGADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCOc2ccccc2-c2nnn[n-]2)CC1 ZINC001576163960 949545958 /nfs/dbraw/zinc/54/59/58/949545958.db2.gz DPBRWZRWQYPMKL-GOSISDBHSA-N 1 3 398.555 3.222 20 0 GGADHO C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC001576163960 949545991 /nfs/dbraw/zinc/54/59/91/949545991.db2.gz DPBRWZRWQYPMKL-GOSISDBHSA-N 1 3 398.555 3.222 20 0 GGADHO C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC001576163960 949546003 /nfs/dbraw/zinc/54/60/03/949546003.db2.gz DPBRWZRWQYPMKL-GOSISDBHSA-N 1 3 398.555 3.222 20 0 GGADHO C[NH+](C)CCOc1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1 ZINC001177821591 1126150552 /nfs/dbraw/zinc/15/05/52/1126150552.db2.gz AEQAGOGBSJMXMG-WOJBJXKFSA-N 1 3 396.453 3.251 20 0 GGADHO COc1ccc(CCNC(=[NH2+])NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000058326817 205171908 /nfs/dbraw/zinc/17/19/08/205171908.db2.gz HQUNBMLYNZYJSQ-GOSISDBHSA-N 1 3 386.565 3.325 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000050802163 564561145 /nfs/dbraw/zinc/56/11/45/564561145.db2.gz WEUDNQOTNNQGLZ-UHFFFAOYSA-N 1 3 384.351 3.211 20 0 GGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)s1 ZINC000051760932 564567002 /nfs/dbraw/zinc/56/70/02/564567002.db2.gz XLGAXZYXLVKKSQ-ZDUSSCGKSA-N 1 3 384.977 3.320 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000131960082 564729809 /nfs/dbraw/zinc/72/98/09/564729809.db2.gz XESCUUYERGQYJY-UHFFFAOYSA-N 1 3 384.351 3.211 20 0 GGADHO CN(Cc1cc(Br)c2c(c1)OCCCO2)CC1CC[NH+](C)CC1 ZINC000093088626 564883696 /nfs/dbraw/zinc/88/36/96/564883696.db2.gz HVLNXQOZYJTKSW-UHFFFAOYSA-N 1 3 383.330 3.384 20 0 GGADHO CN1CCC(C[N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000093088626 564883702 /nfs/dbraw/zinc/88/37/02/564883702.db2.gz HVLNXQOZYJTKSW-UHFFFAOYSA-N 1 3 383.330 3.384 20 0 GGADHO CN1CCC(C[N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000093088626 564883706 /nfs/dbraw/zinc/88/37/06/564883706.db2.gz HVLNXQOZYJTKSW-UHFFFAOYSA-N 1 3 383.330 3.384 20 0 GGADHO COc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1Br ZINC000150946881 564898424 /nfs/dbraw/zinc/89/84/24/564898424.db2.gz DMIAUQDHNZJQCK-AWEZNQCLSA-N 1 3 384.362 3.134 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000150954833 564898834 /nfs/dbraw/zinc/89/88/34/564898834.db2.gz VATRAFNCEAPTQS-GOSISDBHSA-N 1 3 384.337 3.191 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000103213104 564944949 /nfs/dbraw/zinc/94/49/49/564944949.db2.gz ZXGBUKMBVWNKPO-UHFFFAOYSA-N 1 3 380.945 3.029 20 0 GGADHO CN1CCN(CCCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000154418777 565038611 /nfs/dbraw/zinc/03/86/11/565038611.db2.gz NRSKOOSXFWNGSW-SFHVURJKSA-N 1 3 396.373 3.280 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000155591698 565069481 /nfs/dbraw/zinc/06/94/81/565069481.db2.gz MULYXGGIHPTOHC-ACJLOTCBSA-N 1 3 384.337 3.191 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000155628236 565069949 /nfs/dbraw/zinc/06/99/49/565069949.db2.gz NMPNXCOQWYOVNU-YJBOKZPZSA-N 1 3 396.373 3.278 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000155628331 565070077 /nfs/dbraw/zinc/07/00/77/565070077.db2.gz NMPNXCOQWYOVNU-QAPCUYQASA-N 1 3 396.373 3.278 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000155708539 565070844 /nfs/dbraw/zinc/07/08/44/565070844.db2.gz ZRDXYYDBVKUFON-YJBOKZPZSA-N 1 3 396.373 3.278 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000155708661 565070855 /nfs/dbraw/zinc/07/08/55/565070855.db2.gz ZRDXYYDBVKUFON-QAPCUYQASA-N 1 3 396.373 3.278 20 0 GGADHO Cc1cc(Br)cc2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)oc21 ZINC000157626123 565138320 /nfs/dbraw/zinc/13/83/20/565138320.db2.gz SYUPPZOLIUWHHX-UHFFFAOYSA-N 1 3 396.329 3.069 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371437064 565193922 /nfs/dbraw/zinc/19/39/22/565193922.db2.gz ARODPEXNZIBZQB-XOKHGSTOSA-N 1 3 380.330 3.383 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371437064 565193927 /nfs/dbraw/zinc/19/39/27/565193927.db2.gz ARODPEXNZIBZQB-XOKHGSTOSA-N 1 3 380.330 3.383 20 0 GGADHO C[C@H]1C[N@H+](CCCc2ccccc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000371697394 565205702 /nfs/dbraw/zinc/20/57/02/565205702.db2.gz VWOREGZSTATGFK-PXNSSMCTSA-N 1 3 394.401 3.340 20 0 GGADHO C[C@H]1C[N@@H+](CCCc2ccccc2Br)CC[C@@H]1N1CCN(C)CC1 ZINC000371697394 565205709 /nfs/dbraw/zinc/20/57/09/565205709.db2.gz VWOREGZSTATGFK-PXNSSMCTSA-N 1 3 394.401 3.340 20 0 GGADHO CN1CCCN(CCC[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000372916844 565260464 /nfs/dbraw/zinc/26/04/64/565260464.db2.gz KXGVDKPVUTXPEU-UHFFFAOYSA-N 1 3 380.374 3.312 20 0 GGADHO Brc1ccc(N2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000164729907 565363324 /nfs/dbraw/zinc/36/33/24/565363324.db2.gz CKZREXQWPNZYHU-SFHVURJKSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1cccc(N2CC[C@H](CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000166297783 565374610 /nfs/dbraw/zinc/37/46/10/565374610.db2.gz HZMMWLWQRMXBMY-SZVBFZGTSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1cccc(N2CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000166297783 565374615 /nfs/dbraw/zinc/37/46/15/565374615.db2.gz HZMMWLWQRMXBMY-SZVBFZGTSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCN4CCC[C@@H]4C3)C2)c1 ZINC000166297783 565374621 /nfs/dbraw/zinc/37/46/21/565374621.db2.gz HZMMWLWQRMXBMY-SZVBFZGTSA-N 1 3 378.358 3.492 20 0 GGADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)cc1Cl ZINC000168942845 565382170 /nfs/dbraw/zinc/38/21/70/565382170.db2.gz RYRBUDSFDSHPIC-IBGZPJMESA-N 1 3 388.383 3.424 20 0 GGADHO CN(CCC(=O)Nc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375756396 565403523 /nfs/dbraw/zinc/40/35/23/565403523.db2.gz VQSDEMSMCUJLGJ-YIONKMFJSA-N 1 3 398.320 3.474 20 0 GGADHO CN(CCC(=O)Nc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375756396 565403528 /nfs/dbraw/zinc/40/35/28/565403528.db2.gz VQSDEMSMCUJLGJ-YIONKMFJSA-N 1 3 398.320 3.474 20 0 GGADHO C[NH+](C)C1CCN(CCNCc2cc(Br)c(Cl)s2)CC1 ZINC000191284532 565594213 /nfs/dbraw/zinc/59/42/13/565594213.db2.gz MKGRWRDCEGDZBV-UHFFFAOYSA-N 1 3 380.783 3.280 20 0 GGADHO C[NH+](C)CCNC(=O)C1CCN(CCCc2c(Cl)cccc2Cl)CC1 ZINC000193242235 565740359 /nfs/dbraw/zinc/74/03/59/565740359.db2.gz ZUMNUVSJTMELNQ-UHFFFAOYSA-N 1 3 386.367 3.316 20 0 GGADHO CN(C)CCN1CCC([NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000193965732 565785974 /nfs/dbraw/zinc/78/59/74/565785974.db2.gz ZWAIXSHXOBUKBK-UHFFFAOYSA-N 1 3 380.374 3.311 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000193955401 565786512 /nfs/dbraw/zinc/78/65/12/565786512.db2.gz BDBAYVSRSYIBEA-UHFFFAOYSA-N 1 3 384.351 3.211 20 0 GGADHO CC(C)N1CCN(CCC[NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284926928 565878070 /nfs/dbraw/zinc/87/80/70/565878070.db2.gz WACBKLLCWSIYCS-IBGZPJMESA-N 1 3 395.389 3.301 20 0 GGADHO CS(=O)(=O)c1ccc(CNCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000414316230 565910895 /nfs/dbraw/zinc/91/08/95/565910895.db2.gz HOOVIAFFOUCSFS-UHFFFAOYSA-N 1 3 384.592 3.215 20 0 GGADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3ccc(Cl)s3)cc2)CC1 ZINC000414561362 565949459 /nfs/dbraw/zinc/94/94/59/565949459.db2.gz YYJIIBWIMSMDIY-UHFFFAOYSA-N 1 3 377.941 3.389 20 0 GGADHO C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCCNC1 ZINC000414857088 565963664 /nfs/dbraw/zinc/96/36/64/565963664.db2.gz OUXIVDTVSUVJNB-JKSUJKDBSA-N 1 3 380.374 3.391 20 0 GGADHO C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCCNC1 ZINC000414857083 565964263 /nfs/dbraw/zinc/96/42/63/565964263.db2.gz OUXIVDTVSUVJNB-HOTGVXAUSA-N 1 3 380.374 3.391 20 0 GGADHO COc1c(Br)cc(Br)cc1CNCC[C@@H]1CC[NH2+]C1 ZINC000414841675 565964314 /nfs/dbraw/zinc/96/43/14/565964314.db2.gz YMIUNEUREFZBLE-JTQLQIEISA-N 1 3 392.135 3.309 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC000414948821 565966641 /nfs/dbraw/zinc/96/66/41/565966641.db2.gz MOFIUWGDQIVYJU-WMLDXEAASA-N 1 3 394.357 3.092 20 0 GGADHO COc1c(Br)cc(Br)cc1CN[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415028646 565971023 /nfs/dbraw/zinc/97/10/23/565971023.db2.gz CWBVHFCLEHTBJQ-SKDRFNHKSA-N 1 3 392.135 3.437 20 0 GGADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1ncc(Br)cc1Br ZINC000414987194 565968514 /nfs/dbraw/zinc/96/85/14/565968514.db2.gz DIHDOUMDLCUSOV-FOCQTFQBSA-N 1 3 389.135 3.212 20 0 GGADHO [NH3+][C@H]1CCC[C@H](CNCc2ncc(Br)cc2Br)C1 ZINC000415008858 565969448 /nfs/dbraw/zinc/96/94/48/565969448.db2.gz SSJCHHLKJNHLMY-ONGXEEELSA-N 1 3 377.124 3.214 20 0 GGADHO Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003198 565969652 /nfs/dbraw/zinc/96/96/52/565969652.db2.gz FLWFGBPUKFFSGP-RBUKOAKNSA-N 1 3 389.341 3.421 20 0 GGADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000414998676 565969863 /nfs/dbraw/zinc/96/98/63/565969863.db2.gz ILKHTBGMALVOBP-DHSIGJKJSA-N 1 3 395.320 3.156 20 0 GGADHO C[C@@H](Cn1cc(Br)cn1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414998676 565969867 /nfs/dbraw/zinc/96/98/67/565969867.db2.gz ILKHTBGMALVOBP-DHSIGJKJSA-N 1 3 395.320 3.156 20 0 GGADHO [NH3+]C[C@H]1CC[C@H](CNCc2ncc(Br)cc2Br)CC1 ZINC000415018031 565970526 /nfs/dbraw/zinc/97/05/26/565970526.db2.gz BDPMHVRNBPQOFP-XYPYZODXSA-N 1 3 391.151 3.461 20 0 GGADHO COc1c(Br)cc(Br)cc1CN[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415028643 565971088 /nfs/dbraw/zinc/97/10/88/565971088.db2.gz CWBVHFCLEHTBJQ-BXKDBHETSA-N 1 3 392.135 3.437 20 0 GGADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000415086682 565972640 /nfs/dbraw/zinc/97/26/40/565972640.db2.gz SLUGWYBGACTMAT-KUHUBIRLSA-N 1 3 394.357 3.077 20 0 GGADHO COc1ccc([C@@H](C)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000362031723 565975696 /nfs/dbraw/zinc/97/56/96/565975696.db2.gz DOXRHNXGPDAQMP-CABCVRRESA-N 1 3 396.373 3.277 20 0 GGADHO COc1ccc([C@@H](C)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000362031723 565975699 /nfs/dbraw/zinc/97/56/99/565975699.db2.gz DOXRHNXGPDAQMP-CABCVRRESA-N 1 3 396.373 3.277 20 0 GGADHO COc1ccc([C@@H](C)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000362031723 565975704 /nfs/dbraw/zinc/97/57/04/565975704.db2.gz DOXRHNXGPDAQMP-CABCVRRESA-N 1 3 396.373 3.277 20 0 GGADHO C[C@@H](CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1cccc(Br)c1 ZINC000415141517 565976353 /nfs/dbraw/zinc/97/63/53/565976353.db2.gz PNXXZSGZQBXKRO-QGTPRVQTSA-N 1 3 379.342 3.253 20 0 GGADHO C[C@@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(F)cc1Br ZINC000363780130 566020896 /nfs/dbraw/zinc/02/08/96/566020896.db2.gz BHTXTDUCZHWZNZ-UKRRQHHQSA-N 1 3 384.337 3.407 20 0 GGADHO C[C@@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(F)cc1Br ZINC000363780130 566020900 /nfs/dbraw/zinc/02/09/00/566020900.db2.gz BHTXTDUCZHWZNZ-UKRRQHHQSA-N 1 3 384.337 3.407 20 0 GGADHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1Br ZINC000363780130 566020903 /nfs/dbraw/zinc/02/09/03/566020903.db2.gz BHTXTDUCZHWZNZ-UKRRQHHQSA-N 1 3 384.337 3.407 20 0 GGADHO CC[N@@H+]1CC[C@H](NCCC(=O)Nc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000246409749 566028386 /nfs/dbraw/zinc/02/83/86/566028386.db2.gz MIDNOJQOAQNVNZ-HOCLYGCPSA-N 1 3 382.346 3.406 20 0 GGADHO CC[N@H+]1CC[C@H](NCCC(=O)Nc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000246409749 566028389 /nfs/dbraw/zinc/02/83/89/566028389.db2.gz MIDNOJQOAQNVNZ-HOCLYGCPSA-N 1 3 382.346 3.406 20 0 GGADHO Brc1cccc(N2CC[C@H](CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000246408289 566028841 /nfs/dbraw/zinc/02/88/41/566028841.db2.gz HZMMWLWQRMXBMY-AYBZRNKSSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1cccc(N2CC[C@H](CN[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000246408289 566028846 /nfs/dbraw/zinc/02/88/46/566028846.db2.gz HZMMWLWQRMXBMY-AYBZRNKSSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1cccc(N2CC[C@H](C[NH2+][C@H]3CCN4CCC[C@H]4C3)C2)c1 ZINC000246408289 566028848 /nfs/dbraw/zinc/02/88/48/566028848.db2.gz HZMMWLWQRMXBMY-AYBZRNKSSA-N 1 3 378.358 3.492 20 0 GGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246473828 566029857 /nfs/dbraw/zinc/02/98/57/566029857.db2.gz QRMGUPHIGVOTFX-IIAWOOMASA-N 1 3 382.346 3.404 20 0 GGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246473828 566029860 /nfs/dbraw/zinc/02/98/60/566029860.db2.gz QRMGUPHIGVOTFX-IIAWOOMASA-N 1 3 382.346 3.404 20 0 GGADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247180577 566054581 /nfs/dbraw/zinc/05/45/81/566054581.db2.gz VDLWJAJKXSBGED-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247180577 566054585 /nfs/dbraw/zinc/05/45/85/566054585.db2.gz VDLWJAJKXSBGED-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247180577 566054589 /nfs/dbraw/zinc/05/45/89/566054589.db2.gz VDLWJAJKXSBGED-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO CC[N@@H+]1CC[C@H](NCCC(=O)Nc2cc(Br)ccc2C)[C@H](C)C1 ZINC000180829165 566092773 /nfs/dbraw/zinc/09/27/73/566092773.db2.gz MIDNOJQOAQNVNZ-ZBFHGGJFSA-N 1 3 382.346 3.406 20 0 GGADHO CC[N@H+]1CC[C@H](NCCC(=O)Nc2cc(Br)ccc2C)[C@H](C)C1 ZINC000180829165 566092779 /nfs/dbraw/zinc/09/27/79/566092779.db2.gz MIDNOJQOAQNVNZ-ZBFHGGJFSA-N 1 3 382.346 3.406 20 0 GGADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)[C@H](C)C1 ZINC000181458040 566141656 /nfs/dbraw/zinc/14/16/56/566141656.db2.gz OLVWFLDYOPHTNZ-CRAIPNDOSA-N 1 3 396.373 3.106 20 0 GGADHO O=C(Nc1ccccc1Br)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261935899 566141861 /nfs/dbraw/zinc/14/18/61/566141861.db2.gz MBGHTTQGUGRSEG-AWEZNQCLSA-N 1 3 380.330 3.099 20 0 GGADHO O=C(Nc1ccc(Br)cc1)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261961154 566142269 /nfs/dbraw/zinc/14/22/69/566142269.db2.gz PHYKBHQVSWPVGU-AWEZNQCLSA-N 1 3 380.330 3.099 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366262006 566143739 /nfs/dbraw/zinc/14/37/39/566143739.db2.gz XCOGLMAVDNBIRR-XOKHGSTOSA-N 1 3 380.330 3.383 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366262006 566143742 /nfs/dbraw/zinc/14/37/42/566143742.db2.gz XCOGLMAVDNBIRR-XOKHGSTOSA-N 1 3 380.330 3.383 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366262003 566144562 /nfs/dbraw/zinc/14/45/62/566144562.db2.gz XCOGLMAVDNBIRR-COXVUDFISA-N 1 3 380.330 3.383 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366262003 566144568 /nfs/dbraw/zinc/14/45/68/566144568.db2.gz XCOGLMAVDNBIRR-COXVUDFISA-N 1 3 380.330 3.383 20 0 GGADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCCN(C)CC2)c(Br)c1 ZINC000181704476 566159041 /nfs/dbraw/zinc/15/90/41/566159041.db2.gz LEMXZWGGWPZEBC-OAHLLOKOSA-N 1 3 384.362 3.136 20 0 GGADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCCN(C)CC2)c(Br)c1 ZINC000181704476 566159046 /nfs/dbraw/zinc/15/90/46/566159046.db2.gz LEMXZWGGWPZEBC-OAHLLOKOSA-N 1 3 384.362 3.136 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Br)nc1 ZINC000290592318 566180307 /nfs/dbraw/zinc/18/03/07/566180307.db2.gz GOGZAKTXQUNQLF-KBXCAEBGSA-N 1 3 390.325 3.262 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)nc1 ZINC000290592318 566180311 /nfs/dbraw/zinc/18/03/11/566180311.db2.gz GOGZAKTXQUNQLF-KBXCAEBGSA-N 1 3 390.325 3.262 20 0 GGADHO C[NH+]1CCC(CCNCc2ccc(F)cc2I)CC1 ZINC000417913139 566181299 /nfs/dbraw/zinc/18/12/99/566181299.db2.gz PKBUDRJDOWDTGJ-UHFFFAOYSA-N 1 3 376.257 3.252 20 0 GGADHO CC[NH+](CC)CCSCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000266113716 566246078 /nfs/dbraw/zinc/24/60/78/566246078.db2.gz GLDVFVJTJQSQDW-UHFFFAOYSA-N 1 3 383.627 3.151 20 0 GGADHO CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000266146114 566246521 /nfs/dbraw/zinc/24/65/21/566246521.db2.gz MTVYKNDBJMDCQY-KRWDZBQOSA-N 1 3 383.627 3.151 20 0 GGADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000420372392 566272995 /nfs/dbraw/zinc/27/29/95/566272995.db2.gz FKBTVJUKYGWGJJ-QZTJIDSGSA-N 1 3 383.330 3.046 20 0 GGADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000420372394 566273501 /nfs/dbraw/zinc/27/35/01/566273501.db2.gz FKBTVJUKYGWGJJ-ROUUACIJSA-N 1 3 383.330 3.046 20 0 GGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000420372309 566274088 /nfs/dbraw/zinc/27/40/88/566274088.db2.gz FARLKMSOXKSOIN-ZWKOTPCHSA-N 1 3 383.330 3.046 20 0 GGADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)Cc1cccc(Br)c1 ZINC000575813895 566288498 /nfs/dbraw/zinc/28/84/98/566288498.db2.gz VHQDLNIIPVWYHS-KRWDZBQOSA-N 1 3 381.358 3.064 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@@H](C)O1 ZINC000462537362 566318581 /nfs/dbraw/zinc/31/85/81/566318581.db2.gz VEPLRNVYYPYIBB-HUUCEWRRSA-N 1 3 397.357 3.363 20 0 GGADHO CC(C)[NH+]1CCN(CCCN2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CC1 ZINC000669690390 566320383 /nfs/dbraw/zinc/32/03/83/566320383.db2.gz SALIWEXTVRZFEI-OKILXGFUSA-N 1 3 375.401 3.075 20 0 GGADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4ccc(Br)cc43)C2)CC1 ZINC000669847282 566332196 /nfs/dbraw/zinc/33/21/96/566332196.db2.gz XQNNDWZHTKGICT-QFBILLFUSA-N 1 3 378.358 3.195 20 0 GGADHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3Br)CC2)CC1 ZINC000421014967 566336063 /nfs/dbraw/zinc/33/60/63/566336063.db2.gz SKNPOIKNJVNUFC-UHFFFAOYSA-N 1 3 380.374 3.441 20 0 GGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000576627697 566364611 /nfs/dbraw/zinc/36/46/11/566364611.db2.gz BHQRZSGNVMTILV-MRXNPFEDSA-N 1 3 385.346 3.041 20 0 GGADHO CC(C)N1CCN(CCC[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000626101588 566384400 /nfs/dbraw/zinc/38/44/00/566384400.db2.gz XXMOIWCCJIMPNR-IBGZPJMESA-N 1 3 388.383 3.423 20 0 GGADHO C[NH+](C)CCOC1CCN(CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000536675144 566393029 /nfs/dbraw/zinc/39/30/29/566393029.db2.gz ADWZYDMWSONCRE-UHFFFAOYSA-N 1 3 395.341 3.268 20 0 GGADHO C[C@H](CCN(C)C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000463301113 566398855 /nfs/dbraw/zinc/39/88/55/566398855.db2.gz OAWYMDYOFAAGFX-SECBINFHSA-N 1 3 379.140 3.224 20 0 GGADHO CS(=O)(=O)CC1CCC([NH2+]CC2CCN(Cc3cccs3)CC2)CC1 ZINC000577197524 566414583 /nfs/dbraw/zinc/41/45/83/566414583.db2.gz ZODWWKGEVKFKST-UHFFFAOYSA-N 1 3 384.611 3.153 20 0 GGADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Br)cc2Cl)CC1 ZINC000537312284 566436994 /nfs/dbraw/zinc/43/69/94/566436994.db2.gz SDQPAUCXLPADFJ-UHFFFAOYSA-N 1 3 375.738 3.427 20 0 GGADHO Brc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422785995 566462510 /nfs/dbraw/zinc/46/25/10/566462510.db2.gz QAMJTNDZYRSOIG-FHLIZLRMSA-N 1 3 379.342 3.227 20 0 GGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422736282 566462900 /nfs/dbraw/zinc/46/29/00/566462900.db2.gz VUENEEZIZOESBS-IYJAJMOOSA-N 1 3 386.367 3.300 20 0 GGADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422895427 566464785 /nfs/dbraw/zinc/46/47/85/566464785.db2.gz VYYZYIXCBBKROJ-KXBFYZLASA-N 1 3 380.374 3.391 20 0 GGADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422875929 566465103 /nfs/dbraw/zinc/46/51/03/566465103.db2.gz DNVVUSDHQSJFCH-OKZBNKHCSA-N 1 3 381.358 3.473 20 0 GGADHO Clc1ccc(Br)c(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423002047 566469177 /nfs/dbraw/zinc/46/91/77/566469177.db2.gz YFBGWFKZOXQIGA-BHYGNILZSA-N 1 3 387.749 3.392 20 0 GGADHO Brc1ccc2[nH]cc(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000423033867 566469250 /nfs/dbraw/zinc/46/92/50/566469250.db2.gz OZIBIOUKBAQFRK-ZIFCJYIRSA-N 1 3 392.341 3.220 20 0 GGADHO COc1cc(Br)ccc1CCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423028824 566469328 /nfs/dbraw/zinc/46/93/28/566469328.db2.gz HETQXXFLLRHVMP-OKZBNKHCSA-N 1 3 397.357 3.137 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000423078024 566472792 /nfs/dbraw/zinc/47/27/92/566472792.db2.gz VCXVBHRVQUOGFM-GDAAHCPNSA-N 1 3 381.358 3.110 20 0 GGADHO CCOC(=O)C1([C@H](C)NCc2cccc(C)c2Br)CC[NH2+]CC1 ZINC000423069512 566472847 /nfs/dbraw/zinc/47/28/47/566472847.db2.gz LSKDHOKMDMIAMT-AWEZNQCLSA-N 1 3 383.330 3.169 20 0 GGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000423073649 566473411 /nfs/dbraw/zinc/47/34/11/566473411.db2.gz JMXBUJMVFYSMTN-XJKSGUPXSA-N 1 3 392.341 3.113 20 0 GGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000423078960 566473469 /nfs/dbraw/zinc/47/34/69/566473469.db2.gz WXVVFOLJOHLVOZ-QKYXUNIQSA-N 1 3 391.353 3.148 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000423078026 566473658 /nfs/dbraw/zinc/47/36/58/566473658.db2.gz VCXVBHRVQUOGFM-WZGPROSRSA-N 1 3 381.358 3.110 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000423078025 566473831 /nfs/dbraw/zinc/47/38/31/566473831.db2.gz VCXVBHRVQUOGFM-JCHJZTRSSA-N 1 3 381.358 3.110 20 0 GGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CO)Cc1ccccc1Br ZINC000423070330 566473851 /nfs/dbraw/zinc/47/38/51/566473851.db2.gz COVVBDLQPLPYSL-XAUMDUMWSA-N 1 3 391.353 3.148 20 0 GGADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1Br ZINC000423152694 566478074 /nfs/dbraw/zinc/47/80/74/566478074.db2.gz GHXMCKOMONKTER-RAUXBKROSA-N 1 3 395.385 3.419 20 0 GGADHO Clc1cc(Br)ccc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423142657 566478164 /nfs/dbraw/zinc/47/81/64/566478164.db2.gz AZBRTDAVAPVEQR-USXIJHARSA-N 1 3 387.749 3.392 20 0 GGADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1Br ZINC000423152692 566478430 /nfs/dbraw/zinc/47/84/30/566478430.db2.gz GHXMCKOMONKTER-ONCXSQPRSA-N 1 3 395.385 3.419 20 0 GGADHO O=S(=O)(CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423145081 566479115 /nfs/dbraw/zinc/47/91/15/566479115.db2.gz IZWZSXSAUBLVJL-GUDVDZBRSA-N 1 3 384.973 3.404 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423161063 566480684 /nfs/dbraw/zinc/48/06/84/566480684.db2.gz NDPRVNOVBSHPBB-MFHCWRBVSA-N 1 3 395.385 3.419 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)c(Br)c1 ZINC000423164837 566481175 /nfs/dbraw/zinc/48/11/75/566481175.db2.gz SYEWOQJUQLZYEZ-STEAMIEHSA-N 1 3 399.348 3.250 20 0 GGADHO Cc1c([C@H](C)NCCN2CC[NH2+]CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423209529 566481945 /nfs/dbraw/zinc/48/19/45/566481945.db2.gz VAOYCALOYKYRAY-ZDUSSCGKSA-N 1 3 382.339 3.043 20 0 GGADHO Brc1ccc([C@@H](NCC[C@@H]2CCC[NH2+]C2)c2cncnc2)cc1 ZINC000423259319 566484090 /nfs/dbraw/zinc/48/40/90/566484090.db2.gz NXFMCOQDPNAMCP-KBXCAEBGSA-N 1 3 375.314 3.308 20 0 GGADHO Cc1c([C@@H](C)NCC2(C)CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000423334171 566485628 /nfs/dbraw/zinc/48/56/28/566485628.db2.gz QQEWRJRCZIATPE-CYBMUJFWSA-N 1 3 392.345 3.379 20 0 GGADHO FC(F)(F)[C@@H](CN[C@@H]1CCSc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423382429 566486019 /nfs/dbraw/zinc/48/60/19/566486019.db2.gz INFYEXIXUGYNKB-UKRRQHHQSA-N 1 3 379.879 3.303 20 0 GGADHO FC(F)(F)[C@H](CN[C@@H]1CCSc2c(Cl)cccc21)N1CC[NH2+]CC1 ZINC000423403667 566487701 /nfs/dbraw/zinc/48/77/01/566487701.db2.gz ZHHVEXFYCNTUMB-KGLIPLIRSA-N 1 3 379.879 3.303 20 0 GGADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404212 566488419 /nfs/dbraw/zinc/48/84/19/566488419.db2.gz ZMNZRTJWRHMCLN-WCQYABFASA-N 1 3 378.508 3.236 20 0 GGADHO FC(F)(F)[C@@H](CN[C@H]1CCSc2c(Cl)cccc21)N1CC[NH2+]CC1 ZINC000423403668 566488668 /nfs/dbraw/zinc/48/86/68/566488668.db2.gz ZHHVEXFYCNTUMB-UONOGXRCSA-N 1 3 379.879 3.303 20 0 GGADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000423457652 566490624 /nfs/dbraw/zinc/49/06/24/566490624.db2.gz PDBLLYCSNWXPMK-ZSSDLHNXSA-N 1 3 388.314 3.430 20 0 GGADHO Cc1c([C@H](C)N[C@H]2CC[C@@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423493021 566491235 /nfs/dbraw/zinc/49/12/35/566491235.db2.gz PFDBWRWICCZCEK-LNSITVRQSA-N 1 3 378.318 3.116 20 0 GGADHO COc1ccc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Br)c1OC ZINC000424285594 566525612 /nfs/dbraw/zinc/52/56/12/566525612.db2.gz FZTMJSDCQMFPQY-ZDUSSCGKSA-N 1 3 383.330 3.430 20 0 GGADHO Cc1cc(Br)ccc1NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297537 566526918 /nfs/dbraw/zinc/52/69/18/566526918.db2.gz SVZCBQOOXMZIOG-CQSZACIVSA-N 1 3 380.330 3.160 20 0 GGADHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000424301176 566527291 /nfs/dbraw/zinc/52/72/91/566527291.db2.gz XJKIJVBDXNFNSP-HUUCEWRRSA-N 1 3 394.357 3.090 20 0 GGADHO Cc1cc(Br)c(CNCC2CC[NH+](CCO)CC2)cc1Cl ZINC000449121232 566531434 /nfs/dbraw/zinc/53/14/34/566531434.db2.gz GQNIBAOTUGRPCE-UHFFFAOYSA-N 1 3 375.738 3.205 20 0 GGADHO CC1CCN(C[C@H](O)C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449128682 566531533 /nfs/dbraw/zinc/53/15/33/566531533.db2.gz ZUNRMUJUBHKTAH-MRXNPFEDSA-N 1 3 392.341 3.180 20 0 GGADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3cccc(Br)c3)C2)C1 ZINC000559311892 566540775 /nfs/dbraw/zinc/54/07/75/566540775.db2.gz PGKACPRCDLLXFJ-GOSISDBHSA-N 1 3 380.330 3.195 20 0 GGADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3cccc(Br)c3)C2)C1 ZINC000559311892 566540780 /nfs/dbraw/zinc/54/07/80/566540780.db2.gz PGKACPRCDLLXFJ-GOSISDBHSA-N 1 3 380.330 3.195 20 0 GGADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000673601881 566547017 /nfs/dbraw/zinc/54/70/17/566547017.db2.gz BKFLLZPUUMBCTO-WMLDXEAASA-N 1 3 398.364 3.277 20 0 GGADHO CCN1CCN(CCC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000578766964 566552116 /nfs/dbraw/zinc/55/21/16/566552116.db2.gz MOQHUEPJXRUMIV-UHFFFAOYSA-N 1 3 380.330 3.313 20 0 GGADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCn1cc(Br)cn1 ZINC000512972098 566570716 /nfs/dbraw/zinc/57/07/16/566570716.db2.gz PZZCEWREWZCALD-UHFFFAOYSA-N 1 3 379.346 3.393 20 0 GGADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCn1cc(Br)cn1 ZINC000512972098 566570721 /nfs/dbraw/zinc/57/07/21/566570721.db2.gz PZZCEWREWZCALD-UHFFFAOYSA-N 1 3 379.346 3.393 20 0 GGADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000449599466 566580833 /nfs/dbraw/zinc/58/08/33/566580833.db2.gz LASMTYSNJYIACB-KSZLIROESA-N 1 3 381.358 3.125 20 0 GGADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000449599466 566580834 /nfs/dbraw/zinc/58/08/34/566580834.db2.gz LASMTYSNJYIACB-KSZLIROESA-N 1 3 381.358 3.125 20 0 GGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000449678811 566588811 /nfs/dbraw/zinc/58/88/11/566588811.db2.gz BZWVNCFMVCFBJG-HNNXBMFYSA-N 1 3 387.337 3.203 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449684987 566593271 /nfs/dbraw/zinc/59/32/71/566593271.db2.gz QSAIBONAXIDRFN-CGTJXYLNSA-N 1 3 381.358 3.125 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449684987 566593276 /nfs/dbraw/zinc/59/32/76/566593276.db2.gz QSAIBONAXIDRFN-CGTJXYLNSA-N 1 3 381.358 3.125 20 0 GGADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCOc3ccccc3Br)C2)C1 ZINC000652349176 566603126 /nfs/dbraw/zinc/60/31/26/566603126.db2.gz DUILNJOYBQQDST-RKVPGOIHSA-N 1 3 383.330 3.046 20 0 GGADHO Brc1cccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000466914785 566607666 /nfs/dbraw/zinc/60/76/66/566607666.db2.gz AESRRRHLKJBISO-UHFFFAOYSA-N 1 3 397.357 3.405 20 0 GGADHO Cc1cc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)sc1Br ZINC000513572547 566610280 /nfs/dbraw/zinc/61/02/80/566610280.db2.gz NHFOYCCIHIHCLG-CYBMUJFWSA-N 1 3 375.376 3.344 20 0 GGADHO Brc1cnn(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)c1 ZINC000560580591 566641393 /nfs/dbraw/zinc/64/13/93/566641393.db2.gz KVUIMZZSTNZZAT-NZSAHSFTSA-N 1 3 389.341 3.146 20 0 GGADHO Brc1cnn(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000560580591 566641401 /nfs/dbraw/zinc/64/14/01/566641401.db2.gz KVUIMZZSTNZZAT-NZSAHSFTSA-N 1 3 389.341 3.146 20 0 GGADHO Brc1cnn(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000560580591 566641405 /nfs/dbraw/zinc/64/14/05/566641405.db2.gz KVUIMZZSTNZZAT-NZSAHSFTSA-N 1 3 389.341 3.146 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(Br)cc1 ZINC000607055548 566655736 /nfs/dbraw/zinc/65/57/36/566655736.db2.gz JUDPKPBUOBGFLP-KRWDZBQOSA-N 1 3 397.361 3.329 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(Br)cc1 ZINC000607055548 566655741 /nfs/dbraw/zinc/65/57/41/566655741.db2.gz JUDPKPBUOBGFLP-KRWDZBQOSA-N 1 3 397.361 3.329 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cc(F)c(Cl)cc1Cl ZINC000607226072 566665056 /nfs/dbraw/zinc/66/50/56/566665056.db2.gz WZKGSGITQJSNQO-LBPRGKRZSA-N 1 3 393.334 3.328 20 0 GGADHO Brc1cccc(N2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)c1 ZINC000561402957 566703101 /nfs/dbraw/zinc/70/31/01/566703101.db2.gz WNMBTLDOCOSLSC-SFHVURJKSA-N 1 3 378.358 3.492 20 0 GGADHO CN1CCCN(CCC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000541223564 566704079 /nfs/dbraw/zinc/70/40/79/566704079.db2.gz MLBJERZTENOTLX-IBGZPJMESA-N 1 3 380.374 3.444 20 0 GGADHO CC(C)N(C)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426784170 566729475 /nfs/dbraw/zinc/72/94/75/566729475.db2.gz LVLRRTOMBIYEPV-UHFFFAOYSA-N 1 3 396.373 3.212 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000468864149 566738975 /nfs/dbraw/zinc/73/89/75/566738975.db2.gz GMFJXONPECZMQM-BZUAXINKSA-N 1 3 383.989 3.380 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000468864149 566738976 /nfs/dbraw/zinc/73/89/76/566738976.db2.gz GMFJXONPECZMQM-BZUAXINKSA-N 1 3 383.989 3.380 20 0 GGADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000516921772 566791558 /nfs/dbraw/zinc/79/15/58/566791558.db2.gz MAYDIENXRRANFW-INIZCTEOSA-N 1 3 385.346 3.041 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCc1ccc(C[NH3+])cc1 ZINC000581607450 566793593 /nfs/dbraw/zinc/79/35/93/566793593.db2.gz DBOOAQUKZGXPGB-ZDUSSCGKSA-N 1 3 376.298 3.415 20 0 GGADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4c3cccc4Br)C2)CC1 ZINC000678684632 566812129 /nfs/dbraw/zinc/81/21/29/566812129.db2.gz ASEWKZSQLPIPJZ-KUHUBIRLSA-N 1 3 378.358 3.195 20 0 GGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000582991878 566911993 /nfs/dbraw/zinc/91/19/93/566911993.db2.gz JALIDQJLQWHXND-UHFFFAOYSA-N 1 3 375.891 3.399 20 0 GGADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)Cc1cc(Br)ccc1F ZINC000519076672 566918281 /nfs/dbraw/zinc/91/82/81/566918281.db2.gz YXQJOBRIVJJQTR-OAHLLOKOSA-N 1 3 399.348 3.203 20 0 GGADHO Cc1cc(N2CC[C@@H](N[C@H](C)C3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000680940330 566941929 /nfs/dbraw/zinc/94/19/29/566941929.db2.gz RAGUGZRPADPUKB-RDTXWAMCSA-N 1 3 394.357 3.183 20 0 GGADHO Brc1ccc(-n2cc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000583499879 566955782 /nfs/dbraw/zinc/95/57/82/566955782.db2.gz DSISWECCWKQWAC-QGZVFWFLSA-N 1 3 389.341 3.456 20 0 GGADHO Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CC2 ZINC000493959637 566964493 /nfs/dbraw/zinc/96/44/93/566964493.db2.gz FJCMNGCDWAPABT-SFHVURJKSA-N 1 3 380.374 3.360 20 0 GGADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCCN1CCN(C)CC1 ZINC000583894363 566992792 /nfs/dbraw/zinc/99/27/92/566992792.db2.gz PUISRCYYPQDOSG-HNNXBMFYSA-N 1 3 386.353 3.136 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1Br ZINC000583915452 566994693 /nfs/dbraw/zinc/99/46/93/566994693.db2.gz TZLSMQDWYXJSET-UHFFFAOYSA-N 1 3 391.741 3.060 20 0 GGADHO CSC1(CNCc2cc3c(cc2Br)OCO3)CC[NH+](C)CC1 ZINC000520293654 566996220 /nfs/dbraw/zinc/99/62/20/566996220.db2.gz FQFFWDJJEVTZTC-UHFFFAOYSA-N 1 3 387.343 3.095 20 0 GGADHO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000564988728 567027465 /nfs/dbraw/zinc/02/74/65/567027465.db2.gz OSFCSYXZFCNQJL-KFWWJZLASA-N 1 3 380.330 3.098 20 0 GGADHO CSC1(C[NH2+]Cc2cnc3c(C)cc(Br)cn23)CCN(C)CC1 ZINC000521016624 567036477 /nfs/dbraw/zinc/03/64/77/567036477.db2.gz PKDURAZWFRJELR-UHFFFAOYSA-N 1 3 397.386 3.322 20 0 GGADHO CSC1(CNCc2cnc3c(C)cc(Br)cn23)CC[NH+](C)CC1 ZINC000521016624 567036486 /nfs/dbraw/zinc/03/64/86/567036486.db2.gz PKDURAZWFRJELR-UHFFFAOYSA-N 1 3 397.386 3.322 20 0 GGADHO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)CCCN(C)CC[NH+](C)C ZINC000565115660 567040389 /nfs/dbraw/zinc/04/03/89/567040389.db2.gz LHBNROQVSRLFAB-AWEZNQCLSA-N 1 3 389.371 3.136 20 0 GGADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCN1CCCN(C)CC1 ZINC000584861407 567075126 /nfs/dbraw/zinc/07/51/26/567075126.db2.gz DYYTUQGRGVVMRA-OAHLLOKOSA-N 1 3 386.353 3.136 20 0 GGADHO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCCN1CCN(C)CC1 ZINC000657837025 567099951 /nfs/dbraw/zinc/09/99/51/567099951.db2.gz XGGLKXGJDPYMPN-IBGZPJMESA-N 1 3 382.390 3.387 20 0 GGADHO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000657833257 567100525 /nfs/dbraw/zinc/10/05/25/567100525.db2.gz QMBHPCHRTQTYAO-SFHVURJKSA-N 1 3 382.390 3.386 20 0 GGADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000565834277 567104048 /nfs/dbraw/zinc/10/40/48/567104048.db2.gz DTYKUCAZSXKNHS-HOTGVXAUSA-N 1 3 384.351 3.273 20 0 GGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000566245416 567142756 /nfs/dbraw/zinc/14/27/56/567142756.db2.gz QSOWUFCSBDIARL-NUEKZKHPSA-N 1 3 384.351 3.492 20 0 GGADHO O[C@@H](C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)CN1CCCC1 ZINC000567307644 567234943 /nfs/dbraw/zinc/23/49/43/567234943.db2.gz OAMONHRGHVLORG-KSSFIOAISA-N 1 3 392.341 3.354 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(Br)c1 ZINC000525372302 567245340 /nfs/dbraw/zinc/24/53/40/567245340.db2.gz CGEVMJPTVINZPX-KRWDZBQOSA-N 1 3 397.361 3.329 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(Br)c1 ZINC000525372302 567245348 /nfs/dbraw/zinc/24/53/48/567245348.db2.gz CGEVMJPTVINZPX-KRWDZBQOSA-N 1 3 397.361 3.329 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000499524596 567256116 /nfs/dbraw/zinc/25/61/16/567256116.db2.gz WLMIWUKSVAWQBS-QGZVFWFLSA-N 1 3 386.367 3.410 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000499524596 567256120 /nfs/dbraw/zinc/25/61/20/567256120.db2.gz WLMIWUKSVAWQBS-QGZVFWFLSA-N 1 3 386.367 3.410 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000499524595 567256345 /nfs/dbraw/zinc/25/63/45/567256345.db2.gz WLMIWUKSVAWQBS-KRWDZBQOSA-N 1 3 386.367 3.410 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000499524595 567256351 /nfs/dbraw/zinc/25/63/51/567256351.db2.gz WLMIWUKSVAWQBS-KRWDZBQOSA-N 1 3 386.367 3.410 20 0 GGADHO Cc1ccc(C[C@@H](CO)CNC2CC[NH+](CC3CC3)CC2)cc1Br ZINC000567681093 567267494 /nfs/dbraw/zinc/26/74/94/567267494.db2.gz NRTRLJXSEUYTJJ-GOSISDBHSA-N 1 3 395.385 3.373 20 0 GGADHO CCOc1c(Cl)cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000525890591 567272902 /nfs/dbraw/zinc/27/29/02/567272902.db2.gz MRIGOPUOBKBWGI-UHFFFAOYSA-N 1 3 391.343 3.349 20 0 GGADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567894639 567288181 /nfs/dbraw/zinc/28/81/81/567288181.db2.gz KZBCDVHWIBPOPW-CVEARBPZSA-N 1 3 384.351 3.273 20 0 GGADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567894641 567288543 /nfs/dbraw/zinc/28/85/43/567288543.db2.gz KZBCDVHWIBPOPW-HZPDHXFCSA-N 1 3 384.351 3.273 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cc(Cl)ccc1Cl ZINC000548655416 567340858 /nfs/dbraw/zinc/34/08/58/567340858.db2.gz BMHVKIWIVSIUJW-ZDUSSCGKSA-N 1 3 375.344 3.189 20 0 GGADHO Brc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCN(C3CC3)C2)s1 ZINC000527638563 567355053 /nfs/dbraw/zinc/35/50/53/567355053.db2.gz XLKIRCZHNCSZGS-LLVKDONJSA-N 1 3 381.343 3.475 20 0 GGADHO COCC[NH+]1CCC(NCc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527646668 567355475 /nfs/dbraw/zinc/35/54/75/567355475.db2.gz YMVQYXKDEXBKDA-UHFFFAOYSA-N 1 3 399.358 3.101 20 0 GGADHO Cc1nn(-c2ccc(Br)cc2)c(C)c1CN1CCC(C[NH3+])CC1 ZINC000435395941 567359728 /nfs/dbraw/zinc/35/97/28/567359728.db2.gz SQUPEQZYOUBXAM-UHFFFAOYSA-N 1 3 377.330 3.422 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000528318058 567409488 /nfs/dbraw/zinc/40/94/88/567409488.db2.gz WINRYLOUJFJDKR-UHFFFAOYSA-N 1 3 384.351 3.211 20 0 GGADHO O=C(NC[C@@H]1CCCN(CCSc2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000662263754 567421935 /nfs/dbraw/zinc/42/19/35/567421935.db2.gz DSNZEOXRMNVBMH-YJBOKZPZSA-N 1 3 381.973 3.012 20 0 GGADHO Clc1ccc(COC2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cc1Cl ZINC000662257843 567421999 /nfs/dbraw/zinc/42/19/99/567421999.db2.gz RYYSVEHGZJHFSS-INIZCTEOSA-N 1 3 385.335 3.495 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CNC1CC[NH+](CC2CC2)CC1 ZINC000570787883 567513978 /nfs/dbraw/zinc/51/39/78/567513978.db2.gz ACDSFGLGPHOQGP-KRWDZBQOSA-N 1 3 395.385 3.373 20 0 GGADHO Ic1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000595008519 567534519 /nfs/dbraw/zinc/53/45/19/567534519.db2.gz UTWRFRZZEJBLGD-PXAZEXFGSA-N 1 3 382.289 3.352 20 0 GGADHO Ic1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000595008519 567534521 /nfs/dbraw/zinc/53/45/21/567534521.db2.gz UTWRFRZZEJBLGD-PXAZEXFGSA-N 1 3 382.289 3.352 20 0 GGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644532069 567556855 /nfs/dbraw/zinc/55/68/55/567556855.db2.gz YTJVTNUMHHBKMZ-GJZGRUSLSA-N 1 3 375.340 3.443 20 0 GGADHO C[NH+](C)C1CCN(CCNCc2cc3cc(Br)ccc3o2)CC1 ZINC000571778387 567587887 /nfs/dbraw/zinc/58/78/87/567587887.db2.gz KFXSXVMALQRVHH-UHFFFAOYSA-N 1 3 380.330 3.311 20 0 GGADHO Brc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)cc2c1OCO2 ZINC000459470353 567628139 /nfs/dbraw/zinc/62/81/39/567628139.db2.gz UDYXBMXKLMJTKW-UHFFFAOYSA-N 1 3 390.281 3.331 20 0 GGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OC(F)F ZINC000553177557 567633472 /nfs/dbraw/zinc/63/34/72/567633472.db2.gz HJHKCFFNUAAEJE-UHFFFAOYSA-N 1 3 375.891 3.399 20 0 GGADHO C[N@@H+]1CCC[C@@H](CCNCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000459737455 567656379 /nfs/dbraw/zinc/65/63/79/567656379.db2.gz RHQZLMBDRSATKD-HNNXBMFYSA-N 1 3 377.330 3.456 20 0 GGADHO C[N@H+]1CCC[C@@H](CCNCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000459737455 567656382 /nfs/dbraw/zinc/65/63/82/567656382.db2.gz RHQZLMBDRSATKD-HNNXBMFYSA-N 1 3 377.330 3.456 20 0 GGADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000459780901 567660039 /nfs/dbraw/zinc/66/00/39/567660039.db2.gz LTTZLIZEMQJENN-MRXNPFEDSA-N 1 3 396.373 3.107 20 0 GGADHO C[N@H+]1CCC[C@H](CCNCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000459780901 567660045 /nfs/dbraw/zinc/66/00/45/567660045.db2.gz LTTZLIZEMQJENN-MRXNPFEDSA-N 1 3 396.373 3.107 20 0 GGADHO CN1CCN(CC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1(C)C ZINC000441373880 567662295 /nfs/dbraw/zinc/66/22/95/567662295.db2.gz CQRBRKQSPFVGOL-UHFFFAOYSA-N 1 3 384.351 3.385 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1cc(Cl)sc1Cl ZINC000531523305 567662887 /nfs/dbraw/zinc/66/28/87/567662887.db2.gz WEBXIFNDDXJFJB-UHFFFAOYSA-N 1 3 380.385 3.329 20 0 GGADHO C[C@@H]([NH3+])C1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000572763813 567662935 /nfs/dbraw/zinc/66/29/35/567662935.db2.gz BBFDAENDDAXBDG-CYBMUJFWSA-N 1 3 375.314 3.465 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000666857659 567707912 /nfs/dbraw/zinc/70/79/12/567707912.db2.gz DAUYYYWDIKOZNA-INIZCTEOSA-N 1 3 394.357 3.094 20 0 GGADHO CN1CCN(CC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1(C)C ZINC000442877053 567714122 /nfs/dbraw/zinc/71/41/22/567714122.db2.gz QQZTVMBGHJOVMM-QGZVFWFLSA-N 1 3 396.373 3.278 20 0 GGADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)cc1 ZINC000532508898 567720302 /nfs/dbraw/zinc/72/03/02/567720302.db2.gz SXMACHUQPAUHBW-AWEZNQCLSA-N 1 3 382.346 3.042 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119671 567760479 /nfs/dbraw/zinc/76/04/79/567760479.db2.gz GVFOFJHQDFXRSL-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624119671 567760483 /nfs/dbraw/zinc/76/04/83/567760483.db2.gz GVFOFJHQDFXRSL-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624119671 567760486 /nfs/dbraw/zinc/76/04/86/567760486.db2.gz GVFOFJHQDFXRSL-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121225 567760658 /nfs/dbraw/zinc/76/06/58/567760658.db2.gz QFPJQJPQYNMWFY-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121225 567760663 /nfs/dbraw/zinc/76/06/63/567760663.db2.gz QFPJQJPQYNMWFY-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121225 567760665 /nfs/dbraw/zinc/76/06/65/567760665.db2.gz QFPJQJPQYNMWFY-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119669 567760874 /nfs/dbraw/zinc/76/08/74/567760874.db2.gz GVFOFJHQDFXRSL-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624119669 567760877 /nfs/dbraw/zinc/76/08/77/567760877.db2.gz GVFOFJHQDFXRSL-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119669 567760884 /nfs/dbraw/zinc/76/08/84/567760884.db2.gz GVFOFJHQDFXRSL-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC[NH2+]C[C@H](O)COc1cccc(Br)c1)N1CCCCC1 ZINC000574632155 567789524 /nfs/dbraw/zinc/78/95/24/567789524.db2.gz XVNRTWYMYXJZCQ-WBVHZDCISA-N 1 3 385.346 3.043 20 0 GGADHO CSC1(CNCc2c(Cl)cccc2N2CCOCC2)CC[NH+](C)CC1 ZINC000555587061 567791330 /nfs/dbraw/zinc/79/13/30/567791330.db2.gz WCEQBQBSYBDGPH-UHFFFAOYSA-N 1 3 383.989 3.094 20 0 GGADHO CN1CCN(CCCC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000574724339 567793069 /nfs/dbraw/zinc/79/30/69/567793069.db2.gz JFOPHXPBZKLPLI-HXUWFJFHSA-N 1 3 394.401 3.387 20 0 GGADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000647791861 567801865 /nfs/dbraw/zinc/80/18/65/567801865.db2.gz OSVZEPMIMOFXPM-REWJHTLYSA-N 1 3 381.314 3.259 20 0 GGADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1ccc(Br)cc1F ZINC000647814382 567802056 /nfs/dbraw/zinc/80/20/56/567802056.db2.gz LQHAWBOJOAXWKE-UHFFFAOYSA-N 1 3 384.293 3.133 20 0 GGADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1ccc(Br)cc1F ZINC000647814382 567802060 /nfs/dbraw/zinc/80/20/60/567802060.db2.gz LQHAWBOJOAXWKE-UHFFFAOYSA-N 1 3 384.293 3.133 20 0 GGADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1ccc(Br)cc1F ZINC000647814382 567802065 /nfs/dbraw/zinc/80/20/65/567802065.db2.gz LQHAWBOJOAXWKE-UHFFFAOYSA-N 1 3 384.293 3.133 20 0 GGADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000647791860 567802330 /nfs/dbraw/zinc/80/23/30/567802330.db2.gz OSVZEPMIMOFXPM-IGQOVBAYSA-N 1 3 381.314 3.259 20 0 GGADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000647791862 567802374 /nfs/dbraw/zinc/80/23/74/567802374.db2.gz OSVZEPMIMOFXPM-RFQIPJPRSA-N 1 3 381.314 3.259 20 0 GGADHO [NH3+]CC[C@@H]1CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000647951803 567808390 /nfs/dbraw/zinc/80/83/90/567808390.db2.gz UYZFYQBMGFHWLP-AWEZNQCLSA-N 1 3 375.314 3.467 20 0 GGADHO [NH3+]CC[C@H]1CCCN(Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000647951804 567808408 /nfs/dbraw/zinc/80/84/08/567808408.db2.gz UYZFYQBMGFHWLP-CQSZACIVSA-N 1 3 375.314 3.467 20 0 GGADHO COc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Br)c1OC ZINC000647986876 567809556 /nfs/dbraw/zinc/80/95/56/567809556.db2.gz ILBXBQPZEVYFFN-KGLIPLIRSA-N 1 3 383.330 3.288 20 0 GGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000647987295 567809871 /nfs/dbraw/zinc/80/98/71/567809871.db2.gz GUOOLGAEIUZNMK-KKUMJFAQSA-N 1 3 384.351 3.492 20 0 GGADHO CC[NH+]1CCC(CN[C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000575058005 567811126 /nfs/dbraw/zinc/81/11/26/567811126.db2.gz FSDVBTLZJSUIIK-NSHDSACASA-N 1 3 394.368 3.023 20 0 GGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1 ZINC000833615330 605218975 /nfs/dbraw/zinc/21/89/75/605218975.db2.gz MQYIVGBGBZMLJN-LJQANCHMSA-N 1 3 387.568 3.480 20 0 GGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1 ZINC000833615330 605218979 /nfs/dbraw/zinc/21/89/79/605218979.db2.gz MQYIVGBGBZMLJN-LJQANCHMSA-N 1 3 387.568 3.480 20 0 GGADHO CC1CCN([C@H](CNC(=O)NCCC[NH+]2CCCC2)c2cccs2)CC1 ZINC000054042382 1406601931 /nfs/dbraw/zinc/60/19/31/1406601931.db2.gz DWNLIOGNEBNKDT-GOSISDBHSA-N 1 3 378.586 3.306 20 0 GGADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)o1 ZINC000054698737 1406808143 /nfs/dbraw/zinc/80/81/43/1406808143.db2.gz VHKXJYCHIUYUSZ-PZJWPPBQSA-N 1 3 398.551 3.497 20 0 GGADHO CN(CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000054764479 1406820825 /nfs/dbraw/zinc/82/08/25/1406820825.db2.gz AUNHPLQGEUYSJE-UHFFFAOYSA-N 1 3 380.536 3.214 20 0 GGADHO CN(C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)Cc1ccccc1 ZINC000054920547 1406851294 /nfs/dbraw/zinc/85/12/94/1406851294.db2.gz HDIHJERHKYMQFK-HSZRJFAPSA-N 1 3 394.563 3.255 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H](C)[NH+]3CCCCC3)c(C)c2)CC1 ZINC000056562976 1407363044 /nfs/dbraw/zinc/36/30/44/1407363044.db2.gz NKJGRAUWNXTPFH-LJQANCHMSA-N 1 3 387.572 3.133 20 0 GGADHO O=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000047777637 1404938709 /nfs/dbraw/zinc/93/87/09/1404938709.db2.gz QBFZHYMCCXKKNO-NRFANRHFSA-N 1 3 396.535 3.164 20 0 GGADHO O=C(NCC[N@H+]1CCc2ccccc2C1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000047777637 1404938721 /nfs/dbraw/zinc/93/87/21/1404938721.db2.gz QBFZHYMCCXKKNO-NRFANRHFSA-N 1 3 396.535 3.164 20 0 GGADHO CN(C)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccsc1 ZINC000047777837 1404939659 /nfs/dbraw/zinc/93/96/59/1404939659.db2.gz LQMFNRLOAIZFLP-MSOLQXFVSA-N 1 3 390.553 3.470 20 0 GGADHO CC1CCN([C@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)c2cccs2)CC1 ZINC000047915649 1404995181 /nfs/dbraw/zinc/99/51/81/1404995181.db2.gz WPNKJDXYSKJZTI-LJQANCHMSA-N 1 3 390.597 3.447 20 0 GGADHO C[NH+](C)CCOc1ccc(CNCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000048686083 1405257266 /nfs/dbraw/zinc/25/72/66/1405257266.db2.gz QHKXXZCCAQPYQP-UHFFFAOYSA-N 1 3 381.520 3.153 20 0 GGADHO COc1ccc(-c2n[nH]cc2CNCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000048717161 1405266861 /nfs/dbraw/zinc/26/68/61/1405266861.db2.gz OQQPRXUFIFWEPN-UHFFFAOYSA-N 1 3 380.492 3.316 20 0 GGADHO CN1CCN(Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3cccs3)cc2)CC1 ZINC000048783003 1405292397 /nfs/dbraw/zinc/29/23/97/1405292397.db2.gz XWRGAMSSHYPESE-UHFFFAOYSA-N 1 3 381.549 3.175 20 0 GGADHO CN1CCN(Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccccc3)cc2)CC1 ZINC000048782993 1405292441 /nfs/dbraw/zinc/29/24/41/1405292441.db2.gz WTEVKSDPIOCXHQ-UHFFFAOYSA-N 1 3 375.520 3.114 20 0 GGADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(CN2CCCC2)c1 ZINC000050029248 1405457666 /nfs/dbraw/zinc/45/76/66/1405457666.db2.gz SILAVCHPXUJFPN-UHFFFAOYSA-N 1 3 377.532 3.461 20 0 GGADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc(CN2CCCC2)c1 ZINC000050029248 1405457677 /nfs/dbraw/zinc/45/76/77/1405457677.db2.gz SILAVCHPXUJFPN-UHFFFAOYSA-N 1 3 377.532 3.461 20 0 GGADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCN(C2CCCC2)CC1 ZINC000050137029 1405497227 /nfs/dbraw/zinc/49/72/27/1405497227.db2.gz DIVVDUIEOLAJDZ-SFHVURJKSA-N 1 3 390.597 3.230 20 0 GGADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCN(C2CCCC2)CC1 ZINC000050137029 1405497264 /nfs/dbraw/zinc/49/72/64/1405497264.db2.gz DIVVDUIEOLAJDZ-SFHVURJKSA-N 1 3 390.597 3.230 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000050797430 1405655036 /nfs/dbraw/zinc/65/50/36/1405655036.db2.gz RHIDEVFAHVVADM-UXHICEINSA-N 1 3 375.944 3.118 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000050797428 1405655737 /nfs/dbraw/zinc/65/57/37/1405655737.db2.gz RHIDEVFAHVVADM-WOJBJXKFSA-N 1 3 375.944 3.118 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000050797431 1405655861 /nfs/dbraw/zinc/65/58/61/1405655861.db2.gz RHIDEVFAHVVADM-VQTJNVASSA-N 1 3 375.944 3.118 20 0 GGADHO COc1ccc(C2(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CCCC2)cc1 ZINC000050797546 1405655992 /nfs/dbraw/zinc/65/59/92/1405655992.db2.gz AISNFUZYZWDAGM-UHFFFAOYSA-N 1 3 399.579 3.182 20 0 GGADHO CC(C)c1cccc(O[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050797722 1405656270 /nfs/dbraw/zinc/65/62/70/1405656270.db2.gz DVPLSEIYWPHFNI-SFHVURJKSA-N 1 3 387.568 3.252 20 0 GGADHO CC(C)Sc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797593 1405656487 /nfs/dbraw/zinc/65/64/87/1405656487.db2.gz RJFIAMIREBSOKS-UHFFFAOYSA-N 1 3 375.582 3.476 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(SC(F)F)cc3)CC2)CC1 ZINC000050799622 1405657930 /nfs/dbraw/zinc/65/79/30/1405657930.db2.gz VLHUJJGJTQDDEC-UHFFFAOYSA-N 1 3 383.508 3.290 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC000050797836 1405658138 /nfs/dbraw/zinc/65/81/38/1405658138.db2.gz PIBUHTFDLNBWNB-CABCVRRESA-N 1 3 375.479 3.030 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4c5c(cccc53)CC4)CC2)CC1 ZINC000050800315 1405658179 /nfs/dbraw/zinc/65/81/79/1405658179.db2.gz NAHXKOGCCJHIOJ-UHFFFAOYSA-N 1 3 377.532 3.227 20 0 GGADHO Cc1cc2occ(CC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2cc1C ZINC000050800413 1405658329 /nfs/dbraw/zinc/65/83/29/1405658329.db2.gz WSSVYKOFOFUQSX-UHFFFAOYSA-N 1 3 383.536 3.267 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CCSc3ccccc3Cl)CC2)CC1 ZINC000050802454 1405659253 /nfs/dbraw/zinc/65/92/53/1405659253.db2.gz CEVMALZMEZKBRB-UHFFFAOYSA-N 1 3 396.000 3.497 20 0 GGADHO Cc1ccc(SCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050802538 1405660517 /nfs/dbraw/zinc/66/05/17/1405660517.db2.gz JEDCLBNNLXHTBX-UHFFFAOYSA-N 1 3 375.582 3.152 20 0 GGADHO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802469 1405660562 /nfs/dbraw/zinc/66/05/62/1405660562.db2.gz ZWCPSENMERDKAX-INIZCTEOSA-N 1 3 393.959 3.091 20 0 GGADHO CN1CCC([NH+]2CCC(NCc3ccccc3OCc3cccnc3)CC2)CC1 ZINC000051189684 1405740783 /nfs/dbraw/zinc/74/07/83/1405740783.db2.gz NJMSEBWVLNZZHO-UHFFFAOYSA-N 1 3 394.563 3.309 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3cccc4ccccc43)CC2)CC1 ZINC000051271837 1405765976 /nfs/dbraw/zinc/76/59/76/1405765976.db2.gz NXGCKWBDAYJQOS-UHFFFAOYSA-N 1 3 394.563 3.240 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000051758974 1405860496 /nfs/dbraw/zinc/86/04/96/1405860496.db2.gz VLUGEUFVSJMQSA-OAQYLSRUSA-N 1 3 388.531 3.231 20 0 GGADHO CN(Cc1c(F)cccc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759788 1405861135 /nfs/dbraw/zinc/86/11/35/1405861135.db2.gz VXFGNWOURIFAEI-UHFFFAOYSA-N 1 3 396.938 3.179 20 0 GGADHO CCN(Cc1ccccc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760682 1405861221 /nfs/dbraw/zinc/86/12/21/1405861221.db2.gz JKVZQEKYZDFFCV-UHFFFAOYSA-N 1 3 392.975 3.430 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCSc4ccccc43)CC2)CC1 ZINC000051760539 1405861264 /nfs/dbraw/zinc/86/12/64/1405861264.db2.gz MXNCVYZCYBSUAR-LJQANCHMSA-N 1 3 388.581 3.081 20 0 GGADHO CN(C/C=C/C[N@H+](C)Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000051828037 1405871195 /nfs/dbraw/zinc/87/11/95/1405871195.db2.gz QCZSBNLBLNPRGM-ONEGZZNKSA-N 1 3 382.460 3.264 20 0 GGADHO CN(C/C=C/C[N@@H+](C)Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000051828037 1405871199 /nfs/dbraw/zinc/87/11/99/1405871199.db2.gz QCZSBNLBLNPRGM-ONEGZZNKSA-N 1 3 382.460 3.264 20 0 GGADHO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000057843934 1407736344 /nfs/dbraw/zinc/73/63/44/1407736344.db2.gz VPLHHRTZWXBWFB-UHFFFAOYSA-N 1 3 376.504 3.039 20 0 GGADHO C[N@H+](Cc1ccccc1)CC1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000057843934 1407736345 /nfs/dbraw/zinc/73/63/45/1407736345.db2.gz VPLHHRTZWXBWFB-UHFFFAOYSA-N 1 3 376.504 3.039 20 0 GGADHO CCOc1ccc(OC[C@@H](O)CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000057889090 1407747001 /nfs/dbraw/zinc/74/70/01/1407747001.db2.gz QRMMQTWKYZZBEE-NRFANRHFSA-N 1 3 390.568 3.413 20 0 GGADHO CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc2)CC1 ZINC000061112683 1408079206 /nfs/dbraw/zinc/07/92/06/1408079206.db2.gz LAVJWRXPFNHQPL-QHCPKHFHSA-N 1 3 394.563 3.250 20 0 GGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000061863758 1408184720 /nfs/dbraw/zinc/18/47/20/1408184720.db2.gz UHXTXONDYVXBIF-UHFFFAOYSA-N 1 3 394.563 3.386 20 0 GGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000061863758 1408184732 /nfs/dbraw/zinc/18/47/32/1408184732.db2.gz UHXTXONDYVXBIF-UHFFFAOYSA-N 1 3 394.563 3.386 20 0 GGADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)C(C)C ZINC000062474154 1408262576 /nfs/dbraw/zinc/26/25/76/1408262576.db2.gz SFWLYFCNMHAWJE-UHFFFAOYSA-N 1 3 384.515 3.157 20 0 GGADHO C[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000063148630 1408308699 /nfs/dbraw/zinc/30/86/99/1408308699.db2.gz MOZNFDIAPMOSDD-RTBURBONSA-N 1 3 388.625 3.378 20 0 GGADHO C[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000063148630 1408308712 /nfs/dbraw/zinc/30/87/12/1408308712.db2.gz MOZNFDIAPMOSDD-RTBURBONSA-N 1 3 388.625 3.378 20 0 GGADHO CC(C)C[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000063149253 1408309000 /nfs/dbraw/zinc/30/90/00/1408309000.db2.gz KUUXEAXAVDTDFM-HXUWFJFHSA-N 1 3 376.614 3.091 20 0 GGADHO CC1CC[NH+](CCCCNC(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000065448317 1408671306 /nfs/dbraw/zinc/67/13/06/1408671306.db2.gz GFHQRYGZSPXMKN-UHFFFAOYSA-N 1 3 378.605 3.406 20 0 GGADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000065480368 1408676119 /nfs/dbraw/zinc/67/61/19/1408676119.db2.gz UGUCMLZHMVBIFP-OAQYLSRUSA-N 1 3 386.584 3.333 20 0 GGADHO CN(CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC000065540688 1408685692 /nfs/dbraw/zinc/68/56/92/1408685692.db2.gz REWZWOVEDUSKQA-UHFFFAOYSA-N 1 3 386.584 3.416 20 0 GGADHO CN(CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)Cc1ccccc1 ZINC000065540688 1408685697 /nfs/dbraw/zinc/68/56/97/1408685697.db2.gz REWZWOVEDUSKQA-UHFFFAOYSA-N 1 3 386.584 3.416 20 0 GGADHO CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000065876443 1408746875 /nfs/dbraw/zinc/74/68/75/1408746875.db2.gz RCRGHEUTBHIZAW-IBGZPJMESA-N 1 3 375.532 3.371 20 0 GGADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000066175190 1408786801 /nfs/dbraw/zinc/78/68/01/1408786801.db2.gz XGEDTLXXCLVPEO-SFHVURJKSA-N 1 3 378.586 3.401 20 0 GGADHO COc1ccc2cc(CNCc3cccc(C(=O)NCC[NH+](C)C)c3)ccc2c1 ZINC000066994849 1408974835 /nfs/dbraw/zinc/97/48/35/1408974835.db2.gz RHLAFRAXKPGNKN-UHFFFAOYSA-N 1 3 391.515 3.430 20 0 GGADHO CN1CCN(c2ncccc2C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000067121160 1409013390 /nfs/dbraw/zinc/01/33/90/1409013390.db2.gz QJDRIPXULNULQP-UHFFFAOYSA-N 1 3 396.869 3.378 20 0 GGADHO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000067507084 1409139573 /nfs/dbraw/zinc/13/95/73/1409139573.db2.gz MBWMOCASTODXQY-OAQYLSRUSA-N 1 3 395.547 3.155 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000067671642 1409204083 /nfs/dbraw/zinc/20/40/83/1409204083.db2.gz YLOAVMCBPLJLOA-FQEVSTJZSA-N 1 3 397.563 3.390 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)N(C)C)cc1 ZINC000067705632 1409210212 /nfs/dbraw/zinc/21/02/12/1409210212.db2.gz ISNJDSBZFDIVFD-JOCHJYFZSA-N 1 3 398.551 3.038 20 0 GGADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)c1 ZINC000068201941 1409329713 /nfs/dbraw/zinc/32/97/13/1409329713.db2.gz AZKNNCCYLWGVQH-NRFANRHFSA-N 1 3 383.511 3.416 20 0 GGADHO CCN(C)[C@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000068420792 1409397179 /nfs/dbraw/zinc/39/71/79/1409397179.db2.gz GFGIDQGETKSURB-QFIPXVFZSA-N 1 3 380.536 3.066 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000068449852 1409405883 /nfs/dbraw/zinc/40/58/83/1409405883.db2.gz CLBCSHNWUMIKOT-LJQANCHMSA-N 1 3 375.532 3.418 20 0 GGADHO CC1CC[NH+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000068581756 1409444903 /nfs/dbraw/zinc/44/49/03/1409444903.db2.gz UDNAWXPYPBWAMC-UHFFFAOYSA-N 1 3 392.563 3.411 20 0 GGADHO C[C@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000068592726 1409446921 /nfs/dbraw/zinc/44/69/21/1409446921.db2.gz VHGOPFKCGRDVPV-OAHLLOKOSA-N 1 3 388.478 3.119 20 0 GGADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000068707065 1409472456 /nfs/dbraw/zinc/47/24/56/1409472456.db2.gz RYKFRDVEEDYKSI-KRWDZBQOSA-N 1 3 383.492 3.434 20 0 GGADHO CCN1CCN(CCC[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000069679968 1409674240 /nfs/dbraw/zinc/67/42/40/1409674240.db2.gz KRBNEEWFTATRKE-UHFFFAOYSA-N 1 3 389.975 3.260 20 0 GGADHO COc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1O ZINC000069748068 1409691026 /nfs/dbraw/zinc/69/10/26/1409691026.db2.gz MVIZBVMCQZHWRG-UHFFFAOYSA-N 1 3 383.536 3.088 20 0 GGADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(Br)cc3)cc2)CC1 ZINC000069785252 1409698187 /nfs/dbraw/zinc/69/81/87/1409698187.db2.gz XZHVACRLLGJMOU-UHFFFAOYSA-N 1 3 388.353 3.486 20 0 GGADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000071913346 1409830142 /nfs/dbraw/zinc/83/01/42/1409830142.db2.gz MABAUZNIISJSCX-IBGZPJMESA-N 1 3 386.565 3.446 20 0 GGADHO C[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044421 1409840718 /nfs/dbraw/zinc/84/07/18/1409840718.db2.gz OINOHNPYLYKKOJ-MSOLQXFVSA-N 1 3 378.586 3.305 20 0 GGADHO CC1CC[NH+](CCCNC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000072489286 1409849776 /nfs/dbraw/zinc/84/97/76/1409849776.db2.gz WACRXLVAJFZSPM-GOSISDBHSA-N 1 3 378.586 3.306 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000074103601 1409869336 /nfs/dbraw/zinc/86/93/36/1409869336.db2.gz ZSEVEIKWXIPEFS-IRLDBZIGSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000074103601 1409869342 /nfs/dbraw/zinc/86/93/42/1409869342.db2.gz ZSEVEIKWXIPEFS-IRLDBZIGSA-N 1 3 386.584 3.413 20 0 GGADHO c1cc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc(N2CCCC2)n1 ZINC000075760996 1409882783 /nfs/dbraw/zinc/88/27/83/1409882783.db2.gz DYPPLMSAPXGCNX-UHFFFAOYSA-N 1 3 380.536 3.446 20 0 GGADHO c1ccc(-c2nnn(CCCCCN3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000075834663 1409883242 /nfs/dbraw/zinc/88/32/42/1409883242.db2.gz VQBWOUQOHSPAHT-HXUWFJFHSA-N 1 3 382.556 3.318 20 0 GGADHO c1ccc(-c2nnn(CCCCC[N@@H+]3CC[C@H](CN4CCCCC4)C3)n2)cc1 ZINC000075834663 1409883243 /nfs/dbraw/zinc/88/32/43/1409883243.db2.gz VQBWOUQOHSPAHT-HXUWFJFHSA-N 1 3 382.556 3.318 20 0 GGADHO c1ccc(-c2nnn(CCCCC[N@H+]3CC[C@H](CN4CCCCC4)C3)n2)cc1 ZINC000075834663 1409883244 /nfs/dbraw/zinc/88/32/44/1409883244.db2.gz VQBWOUQOHSPAHT-HXUWFJFHSA-N 1 3 382.556 3.318 20 0 GGADHO CN1CCC(O)(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000077450207 1409896433 /nfs/dbraw/zinc/89/64/33/1409896433.db2.gz RZLHTHKJMDKXKN-UHFFFAOYSA-N 1 3 376.504 3.086 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000077785540 1409900482 /nfs/dbraw/zinc/90/04/82/1409900482.db2.gz HSZOKBDOTHYJTK-YADHBBJMSA-N 1 3 384.568 3.339 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000077785540 1409900497 /nfs/dbraw/zinc/90/04/97/1409900497.db2.gz HSZOKBDOTHYJTK-YADHBBJMSA-N 1 3 384.568 3.339 20 0 GGADHO CC[C@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)N1CCc2ccccc2C1 ZINC000079097230 1409956681 /nfs/dbraw/zinc/95/66/81/1409956681.db2.gz FJJCGILNNHVFMI-JOCHJYFZSA-N 1 3 386.584 3.243 20 0 GGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079224241 1409963266 /nfs/dbraw/zinc/96/32/66/1409963266.db2.gz WLDJTNOOUVRZKL-ROUUACIJSA-N 1 3 376.570 3.155 20 0 GGADHO CC[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000079256952 1409963330 /nfs/dbraw/zinc/96/33/30/1409963330.db2.gz PAAHGOOYIYTLNS-FGZHOGPDSA-N 1 3 384.568 3.093 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000079592507 1409982714 /nfs/dbraw/zinc/98/27/14/1409982714.db2.gz DSSREYJCYRRWJN-UHFFFAOYSA-N 1 3 378.536 3.019 20 0 GGADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000079627286 1409984091 /nfs/dbraw/zinc/98/40/91/1409984091.db2.gz KWRJGWSILIBWRY-QFIPXVFZSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000079627286 1409984099 /nfs/dbraw/zinc/98/40/99/1409984099.db2.gz KWRJGWSILIBWRY-QFIPXVFZSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)(C)c1n[nH]cc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000079920742 1409992362 /nfs/dbraw/zinc/99/23/62/1409992362.db2.gz ARMSVRHXXQFMFT-UHFFFAOYSA-N 1 3 383.584 3.395 20 0 GGADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000080190631 1410002450 /nfs/dbraw/zinc/00/24/50/1410002450.db2.gz QEVMHQVRQQIVOP-UHFFFAOYSA-N 1 3 382.552 3.166 20 0 GGADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000080664483 1410009793 /nfs/dbraw/zinc/00/97/93/1410009793.db2.gz RAGHHZSJMUFBDP-IRLDBZIGSA-N 1 3 384.568 3.197 20 0 GGADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000080664483 1410009800 /nfs/dbraw/zinc/00/98/00/1410009800.db2.gz RAGHHZSJMUFBDP-IRLDBZIGSA-N 1 3 384.568 3.197 20 0 GGADHO c1[nH]nc2c1cccc2C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000084015898 1410033803 /nfs/dbraw/zinc/03/38/03/1410033803.db2.gz OILZYJOECYUBPV-UHFFFAOYSA-N 1 3 377.536 3.251 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc2)CC1 ZINC000085394129 1410040304 /nfs/dbraw/zinc/04/03/04/1410040304.db2.gz GKHAPDNBVSOANC-ILWGZMRPSA-N 1 3 386.584 3.441 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c2ccccc2)CC1 ZINC000085394129 1410040314 /nfs/dbraw/zinc/04/03/14/1410040314.db2.gz GKHAPDNBVSOANC-ILWGZMRPSA-N 1 3 386.584 3.441 20 0 GGADHO CC[NH+](CC)Cc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000085456472 1410042816 /nfs/dbraw/zinc/04/28/16/1410042816.db2.gz GIKAVQORIAVDKK-RTBURBONSA-N 1 3 375.557 3.148 20 0 GGADHO COC(=O)N1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000089152709 1410052648 /nfs/dbraw/zinc/05/26/48/1410052648.db2.gz PICGYGPHVNACJB-UHFFFAOYSA-N 1 3 379.932 3.372 20 0 GGADHO C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)C1 ZINC000091949131 1410094450 /nfs/dbraw/zinc/09/44/50/1410094450.db2.gz FDAZULPOCGXOKB-LJQANCHMSA-N 1 3 387.568 3.098 20 0 GGADHO CC1CCN(C(=O)C2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)CC1 ZINC000092144580 1410111751 /nfs/dbraw/zinc/11/17/51/1410111751.db2.gz WYGHGZKAFANTRP-UHFFFAOYSA-N 1 3 387.568 3.098 20 0 GGADHO CC(C)CCn1cccc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092427244 1410157022 /nfs/dbraw/zinc/15/70/22/1410157022.db2.gz PGPKKLBRPKMRMA-UHFFFAOYSA-N 1 3 390.616 3.450 20 0 GGADHO C[NH+](C)CCOc1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000092484635 1410161050 /nfs/dbraw/zinc/16/10/50/1410161050.db2.gz ATRBQAVTTYTWNI-UHFFFAOYSA-N 1 3 387.549 3.083 20 0 GGADHO CN(c1ccccc1CN1CCCN(c2nccs2)CC1)C1CC[NH+](C)CC1 ZINC000092482769 1410161252 /nfs/dbraw/zinc/16/12/52/1410161252.db2.gz GJMIUNWIWDFLRS-UHFFFAOYSA-N 1 3 399.608 3.386 20 0 GGADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000092513088 1410165812 /nfs/dbraw/zinc/16/58/12/1410165812.db2.gz JMCOQSBYZMHCBM-IBGZPJMESA-N 1 3 391.556 3.364 20 0 GGADHO CCOc1ccc(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000092587544 1410177068 /nfs/dbraw/zinc/17/70/68/1410177068.db2.gz MOECTDQLYZLDDQ-QZTJIDSGSA-N 1 3 376.541 3.415 20 0 GGADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000092615791 1410180078 /nfs/dbraw/zinc/18/00/78/1410180078.db2.gz QXDDWFUTPRHJFT-UHFFFAOYSA-N 1 3 389.487 3.188 20 0 GGADHO CN(Cc1c[nH]nc1-c1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645333 1410182599 /nfs/dbraw/zinc/18/25/99/1410182599.db2.gz IDVOWQYJUXBPNO-UHFFFAOYSA-N 1 3 376.508 3.006 20 0 GGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000092821370 1410204445 /nfs/dbraw/zinc/20/44/45/1410204445.db2.gz CAKZBNQYYXQGQK-JOCHJYFZSA-N 1 3 378.520 3.425 20 0 GGADHO COCC[N@H+](C)CCCC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000093769389 1410265821 /nfs/dbraw/zinc/26/58/21/1410265821.db2.gz ZLSFYKQJXFLSMU-UHFFFAOYSA-N 1 3 376.541 3.418 20 0 GGADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000093769389 1410265826 /nfs/dbraw/zinc/26/58/26/1410265826.db2.gz ZLSFYKQJXFLSMU-UHFFFAOYSA-N 1 3 376.541 3.418 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)C[C@@H](C)O1 ZINC000093844405 1410274929 /nfs/dbraw/zinc/27/49/29/1410274929.db2.gz INMDPDDRVKAEIU-QZTJIDSGSA-N 1 3 383.540 3.183 20 0 GGADHO Cn1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c(C(C)(C)C)n1 ZINC000093947963 1410289124 /nfs/dbraw/zinc/28/91/24/1410289124.db2.gz BEGOJDZHCAXXNF-UHFFFAOYSA-N 1 3 397.611 3.405 20 0 GGADHO Cn1cc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c(-c2cccs2)n1 ZINC000093948123 1410289245 /nfs/dbraw/zinc/28/92/45/1410289245.db2.gz KXLAUAHLNKJMSU-UHFFFAOYSA-N 1 3 395.576 3.186 20 0 GGADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000097257190 1410361161 /nfs/dbraw/zinc/36/11/61/1410361161.db2.gz ULSWTHAHDZLNBG-GOSISDBHSA-N 1 3 390.572 3.396 20 0 GGADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000097257190 1410361165 /nfs/dbraw/zinc/36/11/65/1410361165.db2.gz ULSWTHAHDZLNBG-GOSISDBHSA-N 1 3 390.572 3.396 20 0 GGADHO CN(C)[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000097337196 1410366124 /nfs/dbraw/zinc/36/61/24/1410366124.db2.gz VJONCTFWQRWGNJ-VXKWHMMOSA-N 1 3 380.536 3.426 20 0 GGADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000098030334 1410397671 /nfs/dbraw/zinc/39/76/71/1410397671.db2.gz CTBOBKKOLOMHEL-ZWKOTPCHSA-N 1 3 376.545 3.006 20 0 GGADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000098030334 1410397681 /nfs/dbraw/zinc/39/76/81/1410397681.db2.gz CTBOBKKOLOMHEL-ZWKOTPCHSA-N 1 3 376.545 3.006 20 0 GGADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000098034293 1410398964 /nfs/dbraw/zinc/39/89/64/1410398964.db2.gz CLRYFYIOGGPCOF-CEXWTWQISA-N 1 3 390.572 3.252 20 0 GGADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000098034293 1410398973 /nfs/dbraw/zinc/39/89/73/1410398973.db2.gz CLRYFYIOGGPCOF-CEXWTWQISA-N 1 3 390.572 3.252 20 0 GGADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000098034295 1410399203 /nfs/dbraw/zinc/39/92/03/1410399203.db2.gz CLRYFYIOGGPCOF-GUDVDZBRSA-N 1 3 390.572 3.252 20 0 GGADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000098173241 1410436280 /nfs/dbraw/zinc/43/62/80/1410436280.db2.gz XAOJRNHQNXUBIO-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000098173241 1410436285 /nfs/dbraw/zinc/43/62/85/1410436285.db2.gz XAOJRNHQNXUBIO-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000098173241 1410436289 /nfs/dbraw/zinc/43/62/89/1410436289.db2.gz XAOJRNHQNXUBIO-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000098173240 1410436435 /nfs/dbraw/zinc/43/64/35/1410436435.db2.gz XAOJRNHQNXUBIO-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000098173240 1410436450 /nfs/dbraw/zinc/43/64/50/1410436450.db2.gz XAOJRNHQNXUBIO-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000098173240 1410436458 /nfs/dbraw/zinc/43/64/58/1410436458.db2.gz XAOJRNHQNXUBIO-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000101995903 1410540162 /nfs/dbraw/zinc/54/01/62/1410540162.db2.gz UGAITTBPUYHERP-FQEVSTJZSA-N 1 3 390.959 3.185 20 0 GGADHO Cc1ccccc1C(C)(C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000102013593 1410543965 /nfs/dbraw/zinc/54/39/65/1410543965.db2.gz OEZFAHJJAABRBZ-UHFFFAOYSA-N 1 3 386.584 3.130 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000102422393 1410626374 /nfs/dbraw/zinc/62/63/74/1410626374.db2.gz PXSKUTUZACSXTG-AWEZNQCLSA-N 1 3 384.351 3.385 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCC(C)CC2)c(OC)c1 ZINC000102559529 1410651518 /nfs/dbraw/zinc/65/15/18/1410651518.db2.gz IGJHRHXQDRFTHI-KRWDZBQOSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NCCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC000102559529 1410651551 /nfs/dbraw/zinc/65/15/51/1410651551.db2.gz IGJHRHXQDRFTHI-KRWDZBQOSA-N 1 3 377.529 3.133 20 0 GGADHO C[NH+]1CCC(CCNC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000102640334 1410681439 /nfs/dbraw/zinc/68/14/39/1410681439.db2.gz ISBWVBRXMHDICL-HXUWFJFHSA-N 1 3 397.485 3.289 20 0 GGADHO COc1ccc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000102781533 1410751644 /nfs/dbraw/zinc/75/16/44/1410751644.db2.gz FJGQUODPEAPIQV-UHFFFAOYSA-N 1 3 384.520 3.475 20 0 GGADHO COc1ccc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000102781533 1410751668 /nfs/dbraw/zinc/75/16/68/1410751668.db2.gz FJGQUODPEAPIQV-UHFFFAOYSA-N 1 3 384.520 3.475 20 0 GGADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000103142852 1410831381 /nfs/dbraw/zinc/83/13/81/1410831381.db2.gz UXZIXNXVBNLFED-UHFFFAOYSA-N 1 3 390.531 3.310 20 0 GGADHO C[N@H+](Cc1ccccc1)CC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000103142852 1410831382 /nfs/dbraw/zinc/83/13/82/1410831382.db2.gz UXZIXNXVBNLFED-UHFFFAOYSA-N 1 3 390.531 3.310 20 0 GGADHO Cc1cccn2c(=O)cc(CN3CCC(C[N@@H+](C)Cc4ccccc4)CC3)nc12 ZINC000103143170 1410831412 /nfs/dbraw/zinc/83/14/12/1410831412.db2.gz NSWCKRZRONHMHC-UHFFFAOYSA-N 1 3 390.531 3.347 20 0 GGADHO Cc1cccn2c(=O)cc(CN3CCC(C[N@H+](C)Cc4ccccc4)CC3)nc12 ZINC000103143170 1410831414 /nfs/dbraw/zinc/83/14/14/1410831414.db2.gz NSWCKRZRONHMHC-UHFFFAOYSA-N 1 3 390.531 3.347 20 0 GGADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000103481172 1410862506 /nfs/dbraw/zinc/86/25/06/1410862506.db2.gz KVSVRMLAVKMNNZ-IRXDYDNUSA-N 1 3 393.959 3.490 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000103513450 1410865386 /nfs/dbraw/zinc/86/53/86/1410865386.db2.gz JJFRVZXBXOUXEG-JOCHJYFZSA-N 1 3 386.584 3.443 20 0 GGADHO CN(C)Cc1cccc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000104771205 1410959552 /nfs/dbraw/zinc/95/95/52/1410959552.db2.gz CXFSJBHUGONRGJ-UHFFFAOYSA-N 1 3 396.535 3.027 20 0 GGADHO CC1CCN([C@@H](CNC(=O)NCC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000105082342 1411025674 /nfs/dbraw/zinc/02/56/74/1411025674.db2.gz VBHKUNANVGZEPP-SFHVURJKSA-N 1 3 378.586 3.162 20 0 GGADHO OC1CC[NH+](Cc2ccc(CNCc3c[nH]nc3-c3ccc(F)cc3)cc2)CC1 ZINC000105495563 1411071842 /nfs/dbraw/zinc/07/18/42/1411071842.db2.gz JEUHBAVAQPALEE-UHFFFAOYSA-N 1 3 394.494 3.462 20 0 GGADHO Cc1cn2c(CNCc3ccc(C[NH+]4CCC(O)CC4)cc3)c(C)nc2s1 ZINC000105495509 1411072116 /nfs/dbraw/zinc/07/21/16/1411072116.db2.gz ZKFBQFSZYPGORT-UHFFFAOYSA-N 1 3 384.549 3.259 20 0 GGADHO CCOc1cc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1OC ZINC000105495828 1411072822 /nfs/dbraw/zinc/07/28/22/1411072822.db2.gz UJQJZXYBFGAGDX-UHFFFAOYSA-N 1 3 384.520 3.340 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000107237823 1411353923 /nfs/dbraw/zinc/35/39/23/1411353923.db2.gz URTBSWCDOQJQBW-VQTJNVASSA-N 1 3 375.944 3.118 20 0 GGADHO CC[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCc2ccccc2C1 ZINC000107834162 1411416991 /nfs/dbraw/zinc/41/69/91/1411416991.db2.gz KZQCUAKIOOWRTO-QFIPXVFZSA-N 1 3 386.584 3.435 20 0 GGADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000108302668 1411468518 /nfs/dbraw/zinc/46/85/18/1411468518.db2.gz CPMAPMUGXHZWPX-UYAOXDASSA-N 1 3 395.469 3.042 20 0 GGADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000108302668 1411468523 /nfs/dbraw/zinc/46/85/23/1411468523.db2.gz CPMAPMUGXHZWPX-UYAOXDASSA-N 1 3 395.469 3.042 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3cccc4cccnc43)c2)C1 ZINC000108420958 1411495154 /nfs/dbraw/zinc/49/51/54/1411495154.db2.gz PPNZRYVODLVIKN-JOCHJYFZSA-N 1 3 388.515 3.222 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc4cccnc43)c2)C1 ZINC000108420958 1411495167 /nfs/dbraw/zinc/49/51/67/1411495167.db2.gz PPNZRYVODLVIKN-JOCHJYFZSA-N 1 3 388.515 3.222 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ccc4ncccc4c3)c2)C1 ZINC000108420845 1411495684 /nfs/dbraw/zinc/49/56/84/1411495684.db2.gz MIBYQGOJBOCFRC-JOCHJYFZSA-N 1 3 388.515 3.222 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc4ncccc4c3)c2)C1 ZINC000108420845 1411495695 /nfs/dbraw/zinc/49/56/95/1411495695.db2.gz MIBYQGOJBOCFRC-JOCHJYFZSA-N 1 3 388.515 3.222 20 0 GGADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000108541053 1411533591 /nfs/dbraw/zinc/53/35/91/1411533591.db2.gz UYVUXMLQNIJLIP-ZWKOTPCHSA-N 1 3 378.586 3.162 20 0 GGADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000108541053 1411533605 /nfs/dbraw/zinc/53/36/05/1411533605.db2.gz UYVUXMLQNIJLIP-ZWKOTPCHSA-N 1 3 378.586 3.162 20 0 GGADHO Cc1ccc(C[C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000108885648 1411631530 /nfs/dbraw/zinc/63/15/30/1411631530.db2.gz XXTVHSNNNKIQND-IBGZPJMESA-N 1 3 386.584 3.092 20 0 GGADHO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000109363612 1411748833 /nfs/dbraw/zinc/74/88/33/1411748833.db2.gz RHQLPPFGVLBIKH-UHFFFAOYSA-N 1 3 381.520 3.153 20 0 GGADHO C/C=C/c1ccc(OC[C@H](O)C[N@@H+](C)C2CCN(CCC)CC2)c(OC)c1 ZINC000109787856 1411810151 /nfs/dbraw/zinc/81/01/51/1411810151.db2.gz VDBUEFXHNZNCJK-ZEZYUPADSA-N 1 3 376.541 3.274 20 0 GGADHO C/C=C/c1ccc(OC[C@H](O)C[N@H+](C)C2CCN(CCC)CC2)c(OC)c1 ZINC000109787856 1411810152 /nfs/dbraw/zinc/81/01/52/1411810152.db2.gz VDBUEFXHNZNCJK-ZEZYUPADSA-N 1 3 376.541 3.274 20 0 GGADHO C/C=C/c1ccc(OC[C@@H](O)C[N@@H+](C)C2CCN(CCC)CC2)c(OC)c1 ZINC000109787854 1411810389 /nfs/dbraw/zinc/81/03/89/1411810389.db2.gz VDBUEFXHNZNCJK-CYXJOQHWSA-N 1 3 376.541 3.274 20 0 GGADHO C/C=C/c1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(CCC)CC2)c(OC)c1 ZINC000109787854 1411810390 /nfs/dbraw/zinc/81/03/90/1411810390.db2.gz VDBUEFXHNZNCJK-CYXJOQHWSA-N 1 3 376.541 3.274 20 0 GGADHO CN(C)[C@H](CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000109929526 1411818995 /nfs/dbraw/zinc/81/89/95/1411818995.db2.gz LYNINOFHSUVTGP-HSZRJFAPSA-N 1 3 394.563 3.008 20 0 GGADHO CCC[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000110480829 1411852237 /nfs/dbraw/zinc/85/22/37/1411852237.db2.gz UJIIZNDEWJGHLX-HXUWFJFHSA-N 1 3 397.485 3.432 20 0 GGADHO C[C@H](CSc1ccccc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000110674611 1411863396 /nfs/dbraw/zinc/86/33/96/1411863396.db2.gz JPMSTBDOPZWYNS-QGZVFWFLSA-N 1 3 375.582 3.090 20 0 GGADHO CN(CCC(=O)Nc1cc(N)ccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000177174393 1428614142 /nfs/dbraw/zinc/61/41/42/1428614142.db2.gz KSHXVXRTMODTAR-SFHVURJKSA-N 1 3 384.499 3.190 20 0 GGADHO CN(CCC(=O)Nc1cc(N)ccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000177174393 1428614150 /nfs/dbraw/zinc/61/41/50/1428614150.db2.gz KSHXVXRTMODTAR-SFHVURJKSA-N 1 3 384.499 3.190 20 0 GGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000111881254 1412043433 /nfs/dbraw/zinc/04/34/33/1412043433.db2.gz PXQKPTPYWOCKKA-IBGZPJMESA-N 1 3 389.588 3.055 20 0 GGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000111881254 1412043437 /nfs/dbraw/zinc/04/34/37/1412043437.db2.gz PXQKPTPYWOCKKA-IBGZPJMESA-N 1 3 389.588 3.055 20 0 GGADHO Cc1ccc(C[C@@H]2CCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000113388617 1412302950 /nfs/dbraw/zinc/30/29/50/1412302950.db2.gz KUBMROWXXSJLQH-QHCPKHFHSA-N 1 3 398.595 3.270 20 0 GGADHO Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2CC[C@H](CN(C)C)C2)c2ccccc2)cc1 ZINC000113515348 1412310919 /nfs/dbraw/zinc/31/09/19/1412310919.db2.gz WIFRYPABMYXVDI-FGCOXFRFSA-N 1 3 382.548 3.345 20 0 GGADHO Cc1ccc([C@H](OC[C@@H](O)C[N@@H+]2CC[C@H](CN(C)C)C2)c2ccccc2)cc1 ZINC000113515348 1412310922 /nfs/dbraw/zinc/31/09/22/1412310922.db2.gz WIFRYPABMYXVDI-FGCOXFRFSA-N 1 3 382.548 3.345 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4ccccc4)CCCC3)CC2)CC1 ZINC000114024517 1412370501 /nfs/dbraw/zinc/37/05/01/1412370501.db2.gz OLDSLGJTPGZNJY-UHFFFAOYSA-N 1 3 384.568 3.314 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000115806811 1412794545 /nfs/dbraw/zinc/79/45/45/1412794545.db2.gz PEIYDXJBFUYBPF-RBBKRZOGSA-N 1 3 386.584 3.443 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000115806811 1412794551 /nfs/dbraw/zinc/79/45/51/1412794551.db2.gz PEIYDXJBFUYBPF-RBBKRZOGSA-N 1 3 386.584 3.443 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000115806808 1412794663 /nfs/dbraw/zinc/79/46/63/1412794663.db2.gz PEIYDXJBFUYBPF-UNMCSNQZSA-N 1 3 386.584 3.443 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000115806808 1412794667 /nfs/dbraw/zinc/79/46/67/1412794667.db2.gz PEIYDXJBFUYBPF-UNMCSNQZSA-N 1 3 386.584 3.443 20 0 GGADHO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000116440903 1412861023 /nfs/dbraw/zinc/86/10/23/1412861023.db2.gz NUWHAOOFAJQMGH-NRFANRHFSA-N 1 3 383.511 3.416 20 0 GGADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000116449626 1412861957 /nfs/dbraw/zinc/86/19/57/1412861957.db2.gz JJJQJQDLCBJYLX-SVFBPWRDSA-N 1 3 386.584 3.166 20 0 GGADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000116449626 1412861962 /nfs/dbraw/zinc/86/19/62/1412861962.db2.gz JJJQJQDLCBJYLX-SVFBPWRDSA-N 1 3 386.584 3.166 20 0 GGADHO COc1cccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000177318297 1428685810 /nfs/dbraw/zinc/68/58/10/1428685810.db2.gz ZISMVNXFCKHMOM-UTKZUKDTSA-N 1 3 381.520 3.243 20 0 GGADHO COc1cccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000177318297 1428685818 /nfs/dbraw/zinc/68/58/18/1428685818.db2.gz ZISMVNXFCKHMOM-UTKZUKDTSA-N 1 3 381.520 3.243 20 0 GGADHO COc1cccc([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000177351256 1428701880 /nfs/dbraw/zinc/70/18/80/1428701880.db2.gz HWDBQESTTVUASQ-SFHVURJKSA-N 1 3 381.520 3.372 20 0 GGADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000118756431 1413215341 /nfs/dbraw/zinc/21/53/41/1413215341.db2.gz PZFXBLZBJCCRRL-SFHVURJKSA-N 1 3 379.504 3.397 20 0 GGADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000118775414 1413218316 /nfs/dbraw/zinc/21/83/16/1413218316.db2.gz MXWSLUSTPHOUDZ-UHFFFAOYSA-N 1 3 399.579 3.111 20 0 GGADHO CCN(CC)[C@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccsc1 ZINC000118771731 1413218434 /nfs/dbraw/zinc/21/84/34/1413218434.db2.gz YJLOQBIZGPSRID-LJQANCHMSA-N 1 3 393.597 3.282 20 0 GGADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841296 1413241765 /nfs/dbraw/zinc/24/17/65/1413241765.db2.gz WVEDFAOCVIGKNZ-LJQANCHMSA-N 1 3 383.540 3.091 20 0 GGADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841296 1413241775 /nfs/dbraw/zinc/24/17/75/1413241775.db2.gz WVEDFAOCVIGKNZ-LJQANCHMSA-N 1 3 383.540 3.091 20 0 GGADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2F)CC1 ZINC000119644534 1413513433 /nfs/dbraw/zinc/51/34/33/1413513433.db2.gz UCTUDIHMGFRUEV-HXUWFJFHSA-N 1 3 384.499 3.385 20 0 GGADHO CC(C)Oc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000120025670 1413658286 /nfs/dbraw/zinc/65/82/86/1413658286.db2.gz ZGPCCSYHUUFJLT-UHFFFAOYSA-N 1 3 392.519 3.293 20 0 GGADHO CSCCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000120078392 1413678976 /nfs/dbraw/zinc/67/89/76/1413678976.db2.gz RAVLKOZZJBAHQL-UHFFFAOYSA-N 1 3 390.597 3.272 20 0 GGADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000120173926 1413717999 /nfs/dbraw/zinc/71/79/99/1413717999.db2.gz ULUWYTOWLIAZCG-OAHLLOKOSA-N 1 3 379.495 3.133 20 0 GGADHO Cc1csc(-c2cccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2)n1 ZINC000120280302 1413765775 /nfs/dbraw/zinc/76/57/75/1413765775.db2.gz JOGVVESFEYFUKH-UHFFFAOYSA-N 1 3 398.576 3.407 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)CC2)CC1 ZINC000120280122 1413766266 /nfs/dbraw/zinc/76/62/66/1413766266.db2.gz YPCLFRNBTXTKFK-UHFFFAOYSA-N 1 3 388.943 3.039 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(-c4ncco4)c3)CC2)CC1 ZINC000120314761 1413781355 /nfs/dbraw/zinc/78/13/55/1413781355.db2.gz DPPKOBIHTGKXIZ-UHFFFAOYSA-N 1 3 383.496 3.022 20 0 GGADHO Cc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000120436797 1413817329 /nfs/dbraw/zinc/81/73/29/1413817329.db2.gz RNWZKMJGAJSIHO-GOSISDBHSA-N 1 3 389.565 3.076 20 0 GGADHO CC(C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)N1CCCCC1 ZINC000120722078 1413885131 /nfs/dbraw/zinc/88/51/31/1413885131.db2.gz FJXJGMXPLIMJBU-QFIPXVFZSA-N 1 3 387.568 3.340 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000121108736 1414010616 /nfs/dbraw/zinc/01/06/16/1414010616.db2.gz LQEDFDYMVNKBBO-DLBZAZTESA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000121108736 1414010619 /nfs/dbraw/zinc/01/06/19/1414010619.db2.gz LQEDFDYMVNKBBO-DLBZAZTESA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c(OC)c1 ZINC000121109978 1414011325 /nfs/dbraw/zinc/01/13/25/1414011325.db2.gz CGBZBNXGCONCCI-DLBZAZTESA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H](C)C[NH+]2CCCCC2)c(OC)c1 ZINC000121109978 1414011329 /nfs/dbraw/zinc/01/13/29/1414011329.db2.gz CGBZBNXGCONCCI-DLBZAZTESA-N 1 3 377.529 3.133 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)C(C)(C)C[NH+](C)C ZINC000121123522 1414015804 /nfs/dbraw/zinc/01/58/04/1414015804.db2.gz BJLFUMFJKBAGJV-OAHLLOKOSA-N 1 3 384.515 3.014 20 0 GGADHO C[NH+](C)CCC1CCN(CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000121631303 1414206760 /nfs/dbraw/zinc/20/67/60/1414206760.db2.gz UAZYLOLXYHBXCO-UHFFFAOYSA-N 1 3 394.563 3.447 20 0 GGADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000121660837 1414215383 /nfs/dbraw/zinc/21/53/83/1414215383.db2.gz IWEVENOYJVRXSH-BDTNDASRSA-N 1 3 388.552 3.081 20 0 GGADHO CCOc1ccc([C@@H]2CCCN2C(=O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000121668790 1414217489 /nfs/dbraw/zinc/21/74/89/1414217489.db2.gz AHZUMSWLOAWBRN-QFIPXVFZSA-N 1 3 387.568 3.413 20 0 GGADHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000122162979 1414377015 /nfs/dbraw/zinc/37/70/15/1414377015.db2.gz VLKATONIOFRQSZ-HSALFYBXSA-N 1 3 381.605 3.235 20 0 GGADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000122162979 1414377022 /nfs/dbraw/zinc/37/70/22/1414377022.db2.gz VLKATONIOFRQSZ-HSALFYBXSA-N 1 3 381.605 3.235 20 0 GGADHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000122163170 1414377163 /nfs/dbraw/zinc/37/71/63/1414377163.db2.gz VLKATONIOFRQSZ-SLFFLAALSA-N 1 3 381.605 3.235 20 0 GGADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000122163170 1414377170 /nfs/dbraw/zinc/37/71/70/1414377170.db2.gz VLKATONIOFRQSZ-SLFFLAALSA-N 1 3 381.605 3.235 20 0 GGADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122253085 1414402132 /nfs/dbraw/zinc/40/21/32/1414402132.db2.gz PXZFTFXGSICZHR-ZWKOTPCHSA-N 1 3 377.529 3.162 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccnc3-c3ccccc3)CC2)CC1 ZINC000122291527 1414414606 /nfs/dbraw/zinc/41/46/06/1414414606.db2.gz ZAWPEENJQZMHRB-UHFFFAOYSA-N 1 3 393.535 3.429 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000122724771 1414549309 /nfs/dbraw/zinc/54/93/09/1414549309.db2.gz LYQIZKASGNCATR-IRXDYDNUSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000122724771 1414549315 /nfs/dbraw/zinc/54/93/15/1414549315.db2.gz LYQIZKASGNCATR-IRXDYDNUSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)c1 ZINC000122724771 1414549321 /nfs/dbraw/zinc/54/93/21/1414549321.db2.gz LYQIZKASGNCATR-IRXDYDNUSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000122726227 1414550324 /nfs/dbraw/zinc/55/03/24/1414550324.db2.gz ZINFFJCJXCLEMC-IRXDYDNUSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NCCC[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000122726227 1414550333 /nfs/dbraw/zinc/55/03/33/1414550333.db2.gz ZINFFJCJXCLEMC-IRXDYDNUSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCCC[C@@H]2C)c(OC)c1 ZINC000122726227 1414550340 /nfs/dbraw/zinc/55/03/40/1414550340.db2.gz ZINFFJCJXCLEMC-IRXDYDNUSA-N 1 3 377.529 3.275 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccco2)N2CCCC2)cc1 ZINC000122850775 1414580462 /nfs/dbraw/zinc/58/04/62/1414580462.db2.gz WPGQLJKICNMZMK-QFIPXVFZSA-N 1 3 398.551 3.498 20 0 GGADHO CN(c1ccccc1CNCc1ccnc(-n2cccn2)c1)C1CC[NH+](C)CC1 ZINC000123094168 1414639877 /nfs/dbraw/zinc/63/98/77/1414639877.db2.gz RMSAHDURWXQQNN-UHFFFAOYSA-N 1 3 390.535 3.088 20 0 GGADHO C[C@@H]1CN(CCCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H](C)O1 ZINC000123481384 1414748068 /nfs/dbraw/zinc/74/80/68/1414748068.db2.gz IMZDMBMRHKSNAM-CALCHBBNSA-N 1 3 387.524 3.114 20 0 GGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000123741176 1414818303 /nfs/dbraw/zinc/81/83/03/1414818303.db2.gz IXKRDIQKOGWCSO-MZYLBHOOSA-N 1 3 396.579 3.482 20 0 GGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000123741176 1414818304 /nfs/dbraw/zinc/81/83/04/1414818304.db2.gz IXKRDIQKOGWCSO-MZYLBHOOSA-N 1 3 396.579 3.482 20 0 GGADHO C[C@H]1CN(CCCC[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000177749871 1428849392 /nfs/dbraw/zinc/84/93/92/1428849392.db2.gz JWWCRKAAXZSSJL-ROUUACIJSA-N 1 3 383.577 3.113 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4cccc(F)c4)CCCC3)CC2)CC1 ZINC000124377008 1414952314 /nfs/dbraw/zinc/95/23/14/1414952314.db2.gz AFCLXYSINLSRJU-UHFFFAOYSA-N 1 3 387.543 3.312 20 0 GGADHO Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124396812 1414957052 /nfs/dbraw/zinc/95/70/52/1414957052.db2.gz KUVQXRLELFRBLQ-UHFFFAOYSA-N 1 3 392.547 3.345 20 0 GGADHO Cc1ccc(C)c(SCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000124414205 1414962445 /nfs/dbraw/zinc/96/24/45/1414962445.db2.gz YIAKACBZXDDYCD-UHFFFAOYSA-N 1 3 375.582 3.070 20 0 GGADHO CN(C)CCN(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000124509765 1414984210 /nfs/dbraw/zinc/98/42/10/1414984210.db2.gz POVRNDNDWKDZKW-OAQYLSRUSA-N 1 3 386.584 3.067 20 0 GGADHO CN(C)CCN(C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCC1 ZINC000124509765 1414984216 /nfs/dbraw/zinc/98/42/16/1414984216.db2.gz POVRNDNDWKDZKW-OAQYLSRUSA-N 1 3 386.584 3.067 20 0 GGADHO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000125670594 1415250772 /nfs/dbraw/zinc/25/07/72/1415250772.db2.gz FXKLMANBXCGQDD-PMACEKPBSA-N 1 3 398.595 3.441 20 0 GGADHO C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000125672780 1415251473 /nfs/dbraw/zinc/25/14/73/1415251473.db2.gz CCBKNHXLIGGYDE-QGZVFWFLSA-N 1 3 390.549 3.022 20 0 GGADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000125753846 1415271070 /nfs/dbraw/zinc/27/10/70/1415271070.db2.gz KLMBXHUBIFCSSX-HOCLYGCPSA-N 1 3 381.446 3.412 20 0 GGADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000125753846 1415271075 /nfs/dbraw/zinc/27/10/75/1415271075.db2.gz KLMBXHUBIFCSSX-HOCLYGCPSA-N 1 3 381.446 3.412 20 0 GGADHO COc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1OCC(C)C ZINC000126052416 1415345512 /nfs/dbraw/zinc/34/55/12/1415345512.db2.gz XVQHRYMECFGJPP-UHFFFAOYSA-N 1 3 389.584 3.378 20 0 GGADHO COc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)ccc1OC(C)C ZINC000126059105 1415347293 /nfs/dbraw/zinc/34/72/93/1415347293.db2.gz MELBOWGDDIVISX-UHFFFAOYSA-N 1 3 375.557 3.131 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)N(C)C)cc1 ZINC000126066214 1415349091 /nfs/dbraw/zinc/34/90/91/1415349091.db2.gz AJXCNMXSCCYZKZ-FCEUIQTBSA-N 1 3 384.568 3.256 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)N(C)C)cc1 ZINC000126066214 1415349094 /nfs/dbraw/zinc/34/90/94/1415349094.db2.gz AJXCNMXSCCYZKZ-FCEUIQTBSA-N 1 3 384.568 3.256 20 0 GGADHO C[NH+]1CCN(c2cc(CNCc3ccc(Br)cc3F)ccn2)CC1 ZINC000126068833 1415349989 /nfs/dbraw/zinc/34/99/89/1415349989.db2.gz WGCBFVPWMQJRTC-UHFFFAOYSA-N 1 3 393.304 3.025 20 0 GGADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000177980120 1428913648 /nfs/dbraw/zinc/91/36/48/1428913648.db2.gz ONNBGRKQYLQZTC-QGZVFWFLSA-N 1 3 389.565 3.286 20 0 GGADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000177980120 1428913656 /nfs/dbraw/zinc/91/36/56/1428913656.db2.gz ONNBGRKQYLQZTC-QGZVFWFLSA-N 1 3 389.565 3.286 20 0 GGADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)CC(=O)Nc2ccccc2)CC1 ZINC000126359936 1415426970 /nfs/dbraw/zinc/42/69/70/1415426970.db2.gz XZMQJDLWRJZUDO-HXUWFJFHSA-N 1 3 394.563 3.331 20 0 GGADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2c(c1)CCO2 ZINC000178006267 1428929981 /nfs/dbraw/zinc/92/99/81/1428929981.db2.gz NBYBKNZAFUFXNJ-VGSWGCGISA-N 1 3 393.531 3.170 20 0 GGADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2c(c1)CCO2 ZINC000178006267 1428929988 /nfs/dbraw/zinc/92/99/88/1428929988.db2.gz NBYBKNZAFUFXNJ-VGSWGCGISA-N 1 3 393.531 3.170 20 0 GGADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000178036388 1428948583 /nfs/dbraw/zinc/94/85/83/1428948583.db2.gz OZZJFINVIPSFRR-GBESFXJTSA-N 1 3 375.557 3.500 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000126797644 1415562373 /nfs/dbraw/zinc/56/23/73/1415562373.db2.gz GMWZQOVCKWKRBH-NRFANRHFSA-N 1 3 398.551 3.058 20 0 GGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000178034646 1428948087 /nfs/dbraw/zinc/94/80/87/1428948087.db2.gz FVLSHXWQUBBSSB-KURKYZTESA-N 1 3 375.513 3.183 20 0 GGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000178037153 1428949629 /nfs/dbraw/zinc/94/96/29/1428949629.db2.gz MXFOBEDRJACXNK-KSZLIROESA-N 1 3 375.513 3.183 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[C@@H](C)O1 ZINC000178040336 1428951865 /nfs/dbraw/zinc/95/18/65/1428951865.db2.gz CBJCPHSEMQKKBR-XMFZZSFMSA-N 1 3 385.552 3.298 20 0 GGADHO CC(C)(C[NH2+]CCCCN1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000127181448 1415680370 /nfs/dbraw/zinc/68/03/70/1415680370.db2.gz MQNHIQDQYIPELZ-UHFFFAOYSA-N 1 3 380.598 3.134 20 0 GGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000127261745 1415708091 /nfs/dbraw/zinc/70/80/91/1415708091.db2.gz CJFQDKRZTCWAHT-KDURUIRLSA-N 1 3 390.572 3.253 20 0 GGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000127261745 1415708102 /nfs/dbraw/zinc/70/81/02/1415708102.db2.gz CJFQDKRZTCWAHT-KDURUIRLSA-N 1 3 390.572 3.253 20 0 GGADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000127262205 1415708838 /nfs/dbraw/zinc/70/88/38/1415708838.db2.gz CJFQDKRZTCWAHT-RTBURBONSA-N 1 3 390.572 3.253 20 0 GGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000127289752 1415722933 /nfs/dbraw/zinc/72/29/33/1415722933.db2.gz LLSIBHJFAPJEOQ-SFHVURJKSA-N 1 3 376.564 3.491 20 0 GGADHO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000127360143 1415751675 /nfs/dbraw/zinc/75/16/75/1415751675.db2.gz QMPBBVMKVIQTHL-FQEVSTJZSA-N 1 3 384.524 3.029 20 0 GGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000127599747 1415816793 /nfs/dbraw/zinc/81/67/93/1415816793.db2.gz WPKOZZNRQADKBL-CEWLAPEOSA-N 1 3 384.568 3.165 20 0 GGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000127599747 1415816794 /nfs/dbraw/zinc/81/67/94/1415816794.db2.gz WPKOZZNRQADKBL-CEWLAPEOSA-N 1 3 384.568 3.165 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000127844348 1415861949 /nfs/dbraw/zinc/86/19/49/1415861949.db2.gz UWVWJTRATFUUGH-UHFFFAOYSA-N 1 3 384.524 3.147 20 0 GGADHO COc1cccc(C[C@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)c1 ZINC000128004294 1415891465 /nfs/dbraw/zinc/89/14/65/1415891465.db2.gz TUCYACJQBLFYDI-GMAHTHKFSA-N 1 3 395.547 3.156 20 0 GGADHO COc1cccc(C[C@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)c1 ZINC000128004294 1415891467 /nfs/dbraw/zinc/89/14/67/1415891467.db2.gz TUCYACJQBLFYDI-GMAHTHKFSA-N 1 3 395.547 3.156 20 0 GGADHO CC[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2cc(OC)ccc2c1 ZINC000128044983 1415899982 /nfs/dbraw/zinc/89/99/82/1415899982.db2.gz CTLOYWLGTQGYNG-RBBKRZOGSA-N 1 3 383.536 3.477 20 0 GGADHO CC[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc2cc(OC)ccc2c1 ZINC000128044983 1415899987 /nfs/dbraw/zinc/89/99/87/1415899987.db2.gz CTLOYWLGTQGYNG-RBBKRZOGSA-N 1 3 383.536 3.477 20 0 GGADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C[C@H](C)O1 ZINC000178259175 1429035940 /nfs/dbraw/zinc/03/59/40/1429035940.db2.gz SQDXTQVDGRSFTN-KDURUIRLSA-N 1 3 387.568 3.100 20 0 GGADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C[C@H](C)O1 ZINC000178259175 1429035947 /nfs/dbraw/zinc/03/59/47/1429035947.db2.gz SQDXTQVDGRSFTN-KDURUIRLSA-N 1 3 387.568 3.100 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC2CC[NH+](CC(C)C)CC2)c(OC)c1 ZINC000128495597 1415999702 /nfs/dbraw/zinc/99/97/02/1415999702.db2.gz IDTCHOLUZILQPH-MRXNPFEDSA-N 1 3 377.529 3.131 20 0 GGADHO CC1CC[NH+](CCCCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1 ZINC000128643256 1416032582 /nfs/dbraw/zinc/03/25/82/1416032582.db2.gz QIRCMAVNPWKRHQ-UHFFFAOYSA-N 1 3 390.572 3.398 20 0 GGADHO C[C@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000178296856 1429045159 /nfs/dbraw/zinc/04/51/59/1429045159.db2.gz NVPYOARXKMBUSG-KRWDZBQOSA-N 1 3 390.549 3.022 20 0 GGADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000178409611 1429072465 /nfs/dbraw/zinc/07/24/65/1429072465.db2.gz FKHUHKQYPZDTRL-SFHVURJKSA-N 1 3 381.586 3.244 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)c2cccs2)CC1 ZINC000129318846 1416190533 /nfs/dbraw/zinc/19/05/33/1416190533.db2.gz YRURMVKNXMEKCX-ROUUACIJSA-N 1 3 378.586 3.114 20 0 GGADHO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000130072903 1416312211 /nfs/dbraw/zinc/31/22/11/1416312211.db2.gz JXTLZRTVDKEZRD-LJQANCHMSA-N 1 3 387.499 3.221 20 0 GGADHO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000130073124 1416312468 /nfs/dbraw/zinc/31/24/68/1416312468.db2.gz JXTLZRTVDKEZRD-IBGZPJMESA-N 1 3 387.499 3.221 20 0 GGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000130217612 1416341062 /nfs/dbraw/zinc/34/10/62/1416341062.db2.gz QGAXWCWTBBPBEH-IRXDYDNUSA-N 1 3 378.586 3.227 20 0 GGADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000130700395 1416428139 /nfs/dbraw/zinc/42/81/39/1416428139.db2.gz FLOPVKBYYOCGMW-SFHVURJKSA-N 1 3 390.597 3.274 20 0 GGADHO CC(C)Oc1cccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000130705143 1416429919 /nfs/dbraw/zinc/42/99/19/1416429919.db2.gz BEIRMKQXFHQGHK-UHFFFAOYSA-N 1 3 389.584 3.390 20 0 GGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000130725386 1416435513 /nfs/dbraw/zinc/43/55/13/1416435513.db2.gz YQOXDZKQOQYNBD-LJQANCHMSA-N 1 3 390.572 3.253 20 0 GGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000130725386 1416435515 /nfs/dbraw/zinc/43/55/15/1416435515.db2.gz YQOXDZKQOQYNBD-LJQANCHMSA-N 1 3 390.572 3.253 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c(C)c2)CC1 ZINC000178539244 1429101986 /nfs/dbraw/zinc/10/19/86/1429101986.db2.gz KPPXXVCEEKANDV-KNQAVFIVSA-N 1 3 399.583 3.085 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c(C)c2)CC1 ZINC000178539244 1429101992 /nfs/dbraw/zinc/10/19/92/1429101992.db2.gz KPPXXVCEEKANDV-KNQAVFIVSA-N 1 3 399.583 3.085 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000131086484 1416506696 /nfs/dbraw/zinc/50/66/96/1416506696.db2.gz BOSIYDGWXGTMNR-YADHBBJMSA-N 1 3 384.568 3.402 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000131557286 1416576122 /nfs/dbraw/zinc/57/61/22/1416576122.db2.gz NUOQMBLRYFXRJY-SFHVURJKSA-N 1 3 395.551 3.168 20 0 GGADHO C[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000131591849 1416581403 /nfs/dbraw/zinc/58/14/03/1416581403.db2.gz JRICVANJNDMOPG-QGZVFWFLSA-N 1 3 390.549 3.022 20 0 GGADHO COc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1NC(C)=O ZINC000131864328 1416637488 /nfs/dbraw/zinc/63/74/88/1416637488.db2.gz JWRYGRYFWOSJEK-MRXNPFEDSA-N 1 3 385.508 3.445 20 0 GGADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)N(C)C ZINC000178600716 1429118826 /nfs/dbraw/zinc/11/88/26/1429118826.db2.gz BUUCQPBDRCNMCE-SFHVURJKSA-N 1 3 385.474 3.468 20 0 GGADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)N(C)C ZINC000178600716 1429118829 /nfs/dbraw/zinc/11/88/29/1429118829.db2.gz BUUCQPBDRCNMCE-SFHVURJKSA-N 1 3 385.474 3.468 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000132071854 1416688275 /nfs/dbraw/zinc/68/82/75/1416688275.db2.gz BTNQWYQFRLQXNP-IBGZPJMESA-N 1 3 395.551 3.038 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000132071854 1416688279 /nfs/dbraw/zinc/68/82/79/1416688279.db2.gz BTNQWYQFRLQXNP-IBGZPJMESA-N 1 3 395.551 3.038 20 0 GGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)C1CCCCC1 ZINC000178621674 1429123415 /nfs/dbraw/zinc/12/34/15/1429123415.db2.gz KQQYSCQKIQBTHH-MSOLQXFVSA-N 1 3 378.605 3.449 20 0 GGADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)C1CCCCC1 ZINC000178621653 1429123769 /nfs/dbraw/zinc/12/37/69/1429123769.db2.gz KQQYSCQKIQBTHH-QZTJIDSGSA-N 1 3 378.605 3.449 20 0 GGADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2ccc(Cl)c3cccnc23)c1 ZINC000132312204 1416733928 /nfs/dbraw/zinc/73/39/28/1416733928.db2.gz PNFQXAQNEIIHSD-UHFFFAOYSA-N 1 3 396.922 3.469 20 0 GGADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000132708225 1416806421 /nfs/dbraw/zinc/80/64/21/1416806421.db2.gz YVVTVJZONXPDJN-KRWDZBQOSA-N 1 3 382.504 3.265 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1Cn1cccn1 ZINC000133074024 1416849009 /nfs/dbraw/zinc/84/90/09/1416849009.db2.gz AMDLSXHYMGHPJZ-MOPGFXCFSA-N 1 3 398.551 3.092 20 0 GGADHO C[NH+](C)C1CCN(CCNCc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000133285303 1416874499 /nfs/dbraw/zinc/87/44/99/1416874499.db2.gz UFOLFCXZMGJHHI-UHFFFAOYSA-N 1 3 383.584 3.285 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000133423312 1416888608 /nfs/dbraw/zinc/88/86/08/1416888608.db2.gz ZFMQNMWOPPYGFW-GCJKJVERSA-N 1 3 399.583 3.171 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000133423312 1416888609 /nfs/dbraw/zinc/88/86/09/1416888609.db2.gz ZFMQNMWOPPYGFW-GCJKJVERSA-N 1 3 399.583 3.171 20 0 GGADHO C[C@@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000133999306 1417007752 /nfs/dbraw/zinc/00/77/52/1417007752.db2.gz URNOUGREASSBSL-VGOFRKELSA-N 1 3 386.561 3.499 20 0 GGADHO CS[C@H]1CCCCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000134545361 1417085097 /nfs/dbraw/zinc/08/50/97/1417085097.db2.gz KEDPHPVZERCBKK-NQIIRXRSSA-N 1 3 389.609 3.373 20 0 GGADHO O[C@@H](COCc1ccccc1Cl)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134879742 1417138786 /nfs/dbraw/zinc/13/87/86/1417138786.db2.gz VNAUEJFOJUQDJA-OZOXKJRCSA-N 1 3 378.944 3.166 20 0 GGADHO O[C@@H](COCc1ccccc1Cl)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134879742 1417138795 /nfs/dbraw/zinc/13/87/95/1417138795.db2.gz VNAUEJFOJUQDJA-OZOXKJRCSA-N 1 3 378.944 3.166 20 0 GGADHO O[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000134926544 1417146380 /nfs/dbraw/zinc/14/63/80/1417146380.db2.gz YNQDFBUKRNBQCB-ATZDWAIDSA-N 1 3 379.342 3.431 20 0 GGADHO O[C@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000134926544 1417146381 /nfs/dbraw/zinc/14/63/81/1417146381.db2.gz YNQDFBUKRNBQCB-ATZDWAIDSA-N 1 3 379.342 3.431 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000135131077 1417175720 /nfs/dbraw/zinc/17/57/20/1417175720.db2.gz UONBXVQKJSDTHF-WOJBJXKFSA-N 1 3 387.568 3.251 20 0 GGADHO C[N@@H+]1CCC[C@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC[C@@H]21 ZINC000136376160 1417312390 /nfs/dbraw/zinc/31/23/90/1417312390.db2.gz FFDYWEHTGVGFNE-BZSNNMDCSA-N 1 3 376.570 3.011 20 0 GGADHO C[N@H+]1CCC[C@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC[C@@H]21 ZINC000136376160 1417312393 /nfs/dbraw/zinc/31/23/93/1417312393.db2.gz FFDYWEHTGVGFNE-BZSNNMDCSA-N 1 3 376.570 3.011 20 0 GGADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000136611619 1417332539 /nfs/dbraw/zinc/33/25/39/1417332539.db2.gz KITGLNXGFDOFDX-RJGXRXQPSA-N 1 3 388.552 3.102 20 0 GGADHO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000136780859 1417345845 /nfs/dbraw/zinc/34/58/45/1417345845.db2.gz PUSBTUAIYHENBH-LJQANCHMSA-N 1 3 395.547 3.329 20 0 GGADHO C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000138069963 1417404177 /nfs/dbraw/zinc/40/41/77/1417404177.db2.gz VSUUQVXVDLCCOD-NRFANRHFSA-N 1 3 389.547 3.384 20 0 GGADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000178850961 1429194813 /nfs/dbraw/zinc/19/48/13/1429194813.db2.gz ALEDAURMKTVLSV-DNVCBOLYSA-N 1 3 383.458 3.027 20 0 GGADHO C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000145590937 1417693377 /nfs/dbraw/zinc/69/33/77/1417693377.db2.gz HZMZKXMQDSEOKU-OALUTQOASA-N 1 3 388.625 3.236 20 0 GGADHO C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000145590937 1417693394 /nfs/dbraw/zinc/69/33/94/1417693394.db2.gz HZMZKXMQDSEOKU-OALUTQOASA-N 1 3 388.625 3.236 20 0 GGADHO CC[NH+](CC)C1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000145649106 1417694812 /nfs/dbraw/zinc/69/48/12/1417694812.db2.gz UGNBMUKDELXNMC-UHFFFAOYSA-N 1 3 388.625 3.332 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000150756904 1417800699 /nfs/dbraw/zinc/80/06/99/1417800699.db2.gz AMCGHSIBOGLFTQ-NRFANRHFSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC000150756904 1417800702 /nfs/dbraw/zinc/80/07/02/1417800702.db2.gz AMCGHSIBOGLFTQ-NRFANRHFSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000150762540 1417802366 /nfs/dbraw/zinc/80/23/66/1417802366.db2.gz SRHNTUGMGOOWOT-LJQANCHMSA-N 1 3 394.991 3.391 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000150762540 1417802369 /nfs/dbraw/zinc/80/23/69/1417802369.db2.gz SRHNTUGMGOOWOT-LJQANCHMSA-N 1 3 394.991 3.391 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000150764242 1417802596 /nfs/dbraw/zinc/80/25/96/1417802596.db2.gz IIUZWNFMGCPSFZ-FGZHOGPDSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000150764242 1417802598 /nfs/dbraw/zinc/80/25/98/1417802598.db2.gz IIUZWNFMGCPSFZ-FGZHOGPDSA-N 1 3 386.584 3.270 20 0 GGADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150781472 1417805521 /nfs/dbraw/zinc/80/55/21/1417805521.db2.gz CTHYGIHRRIGVQW-HSZRJFAPSA-N 1 3 398.595 3.066 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(Cl)c3cccnc23)cc1 ZINC000150802116 1417809594 /nfs/dbraw/zinc/80/95/94/1417809594.db2.gz FPHIHFTXABMAPH-UHFFFAOYSA-N 1 3 396.922 3.469 20 0 GGADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2ccccc2Cl)CC1 ZINC000151006004 1417853927 /nfs/dbraw/zinc/85/39/27/1417853927.db2.gz UOTYLXDVCOZDFV-UHFFFAOYSA-N 1 3 379.976 3.443 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H](OC(C)(C)C)c3ccccc3)CC2)CC1 ZINC000151599299 1418036320 /nfs/dbraw/zinc/03/63/20/1418036320.db2.gz OVPUCYBWJXFKCZ-NRFANRHFSA-N 1 3 387.568 3.218 20 0 GGADHO C[C@@H](Cc1ccccc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000151599086 1418036510 /nfs/dbraw/zinc/03/65/10/1418036510.db2.gz RHCHFNOWGLLFNV-INIZCTEOSA-N 1 3 377.960 3.193 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000152214995 1418175348 /nfs/dbraw/zinc/17/53/48/1418175348.db2.gz NAYJCYLCNQCSRH-PGRDOPGGSA-N 1 3 395.551 3.209 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000152215089 1418175658 /nfs/dbraw/zinc/17/56/58/1418175658.db2.gz NAYJCYLCNQCSRH-XMSQKQJNSA-N 1 3 395.551 3.209 20 0 GGADHO C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000179344667 1429337205 /nfs/dbraw/zinc/33/72/05/1429337205.db2.gz XJLZCWGSHAFGKZ-HTAPYJJXSA-N 1 3 384.568 3.168 20 0 GGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000179394145 1429357492 /nfs/dbraw/zinc/35/74/92/1429357492.db2.gz CYQAXGMUUXMOAD-UHFFFAOYSA-N 1 3 398.526 3.418 20 0 GGADHO C[C@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000179496249 1429394693 /nfs/dbraw/zinc/39/46/93/1429394693.db2.gz PARFZXJGJLWBPO-WMZHIEFXSA-N 1 3 395.547 3.469 20 0 GGADHO C[C@@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000179496281 1429394505 /nfs/dbraw/zinc/39/45/05/1429394505.db2.gz PARFZXJGJLWBPO-XXBNENTESA-N 1 3 395.547 3.469 20 0 GGADHO CC1CC[NH+](C2CCC(NC(=O)N(CCN(C)C)Cc3ccco3)CC2)CC1 ZINC000152736936 1422230951 /nfs/dbraw/zinc/23/09/51/1422230951.db2.gz UAKZVSOAYVPBPD-UHFFFAOYSA-N 1 3 390.572 3.396 20 0 GGADHO CC(C)[NH+]1CCC(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000153652014 1422680524 /nfs/dbraw/zinc/68/05/24/1422680524.db2.gz VDUZJUOONSDVCT-OAQYLSRUSA-N 1 3 395.551 3.389 20 0 GGADHO CCCCNC(=O)C1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000154716859 1423010419 /nfs/dbraw/zinc/01/04/19/1423010419.db2.gz ZYBUXYKGWJWFOS-UHFFFAOYSA-N 1 3 387.568 3.290 20 0 GGADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000154946642 1423088062 /nfs/dbraw/zinc/08/80/62/1423088062.db2.gz MYMOXAAJNNAECR-VXKWHMMOSA-N 1 3 384.568 3.483 20 0 GGADHO COc1ccc([C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)N2CCCC2)cc1 ZINC000155496662 1423387492 /nfs/dbraw/zinc/38/74/92/1423387492.db2.gz DRLXVMVSUGIYKF-QFIPXVFZSA-N 1 3 381.520 3.324 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000155619216 1423450155 /nfs/dbraw/zinc/45/01/55/1423450155.db2.gz CGVUYZOKSYEPQE-ICSRJNTNSA-N 1 3 384.568 3.378 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000155619216 1423450161 /nfs/dbraw/zinc/45/01/61/1423450161.db2.gz CGVUYZOKSYEPQE-ICSRJNTNSA-N 1 3 384.568 3.378 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000155618975 1423450194 /nfs/dbraw/zinc/45/01/94/1423450194.db2.gz CGVUYZOKSYEPQE-AZUAARDMSA-N 1 3 384.568 3.378 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000155618975 1423450202 /nfs/dbraw/zinc/45/02/02/1423450202.db2.gz CGVUYZOKSYEPQE-AZUAARDMSA-N 1 3 384.568 3.378 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000155626756 1423454941 /nfs/dbraw/zinc/45/49/41/1423454941.db2.gz UNCPJNGMHOEQOZ-GOSISDBHSA-N 1 3 384.568 3.468 20 0 GGADHO CC1CCN(CCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000156333041 1423785054 /nfs/dbraw/zinc/78/50/54/1423785054.db2.gz UAKUWUTXKKRGJZ-IRLDBZIGSA-N 1 3 386.584 3.413 20 0 GGADHO CC1CCN(CCNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000156333041 1423785078 /nfs/dbraw/zinc/78/50/78/1423785078.db2.gz UAKUWUTXKKRGJZ-IRLDBZIGSA-N 1 3 386.584 3.413 20 0 GGADHO O=C(NCC1(N2CCSCC2)CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156797834 1423866688 /nfs/dbraw/zinc/86/66/88/1423866688.db2.gz XBZUQIMNUBBZNQ-IBGZPJMESA-N 1 3 394.629 3.008 20 0 GGADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000156906917 1423883682 /nfs/dbraw/zinc/88/36/82/1423883682.db2.gz LEXPZHGVMGDJJZ-REWPJTCUSA-N 1 3 393.531 3.170 20 0 GGADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000156906917 1423883684 /nfs/dbraw/zinc/88/36/84/1423883684.db2.gz LEXPZHGVMGDJJZ-REWPJTCUSA-N 1 3 393.531 3.170 20 0 GGADHO C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156911512 1423884777 /nfs/dbraw/zinc/88/47/77/1423884777.db2.gz FWVLCBNMXSOIPA-FRGLQRNOSA-N 1 3 377.532 3.407 20 0 GGADHO C[C@@H]1Cc2ccccc2[C@@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156911512 1423884779 /nfs/dbraw/zinc/88/47/79/1423884779.db2.gz FWVLCBNMXSOIPA-FRGLQRNOSA-N 1 3 377.532 3.407 20 0 GGADHO Cc1ccc2c(c1)[C@H](NCc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000156938732 1423889799 /nfs/dbraw/zinc/88/97/99/1423889799.db2.gz PFYBIDBZJXSQDT-JTHBVZDNSA-N 1 3 377.532 3.469 20 0 GGADHO Cc1ccc2c(c1)[C@H](NCc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000156938732 1423889800 /nfs/dbraw/zinc/88/98/00/1423889800.db2.gz PFYBIDBZJXSQDT-JTHBVZDNSA-N 1 3 377.532 3.469 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CCCOc3ccc4c(c3)CCC4)CC2)CC1 ZINC000157133590 1423933514 /nfs/dbraw/zinc/93/35/14/1423933514.db2.gz AKEBOCGUGIAHFN-UHFFFAOYSA-N 1 3 399.579 3.009 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)c1ccsc1 ZINC000157263947 1423969588 /nfs/dbraw/zinc/96/95/88/1423969588.db2.gz PYFGZILLVMIYHF-OALUTQOASA-N 1 3 381.586 3.040 20 0 GGADHO c1ccc(-c2nnn(CCCCCN3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000157375726 1423998035 /nfs/dbraw/zinc/99/80/35/1423998035.db2.gz FPZRXXOUTBARIE-OAQYLSRUSA-N 1 3 382.556 3.461 20 0 GGADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)cc1 ZINC000158485023 1424269742 /nfs/dbraw/zinc/26/97/42/1424269742.db2.gz KZOJJQPKIIWQQR-SFHVURJKSA-N 1 3 390.535 3.178 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000158582902 1424295957 /nfs/dbraw/zinc/29/59/57/1424295957.db2.gz ZELZFCBMNMDLBK-GOSISDBHSA-N 1 3 378.586 3.449 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000158731571 1424329301 /nfs/dbraw/zinc/32/93/01/1424329301.db2.gz XLWWEAZKSAXYTL-UHFFFAOYSA-N 1 3 378.536 3.163 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)CC1 ZINC000158731748 1424329424 /nfs/dbraw/zinc/32/94/24/1424329424.db2.gz DLLIMKMUWQJXGA-UHFFFAOYSA-N 1 3 396.526 3.303 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cc(Cl)cc3cccnc32)cc1 ZINC000158904975 1424368436 /nfs/dbraw/zinc/36/84/36/1424368436.db2.gz UZRFBMCAMGZBEY-UHFFFAOYSA-N 1 3 396.922 3.469 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000162512525 1424860803 /nfs/dbraw/zinc/86/08/03/1424860803.db2.gz DRRFJKRMGYTROF-MSOLQXFVSA-N 1 3 378.586 3.162 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000162512525 1424860806 /nfs/dbraw/zinc/86/08/06/1424860806.db2.gz DRRFJKRMGYTROF-MSOLQXFVSA-N 1 3 378.586 3.162 20 0 GGADHO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000162745599 1424887439 /nfs/dbraw/zinc/88/74/39/1424887439.db2.gz ARBMFENRHAFLAL-QGZVFWFLSA-N 1 3 375.538 3.231 20 0 GGADHO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000162745599 1424887440 /nfs/dbraw/zinc/88/74/40/1424887440.db2.gz ARBMFENRHAFLAL-QGZVFWFLSA-N 1 3 375.538 3.231 20 0 GGADHO CC[NH+](CC)Cc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000163578978 1425020042 /nfs/dbraw/zinc/02/00/42/1425020042.db2.gz KGSVZFLIPUCUEQ-KRWDZBQOSA-N 1 3 389.565 3.287 20 0 GGADHO C[C@H](N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000163694787 1425034787 /nfs/dbraw/zinc/03/47/87/1425034787.db2.gz WIPFCARUUGYCHT-RDPSFJRHSA-N 1 3 397.563 3.351 20 0 GGADHO O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000163860108 1425051485 /nfs/dbraw/zinc/05/14/85/1425051485.db2.gz BQNJVFICMCSZLY-NRFANRHFSA-N 1 3 383.923 3.308 20 0 GGADHO [NH3+][C@H](C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000163992585 1425065765 /nfs/dbraw/zinc/06/57/65/1425065765.db2.gz GPHONIYWXBOPQP-IBGZPJMESA-N 1 3 391.437 3.440 20 0 GGADHO CCCN1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CC1 ZINC000163995702 1425066552 /nfs/dbraw/zinc/06/65/52/1425066552.db2.gz PWBIDICMKGWQLH-GOSISDBHSA-N 1 3 393.597 3.071 20 0 GGADHO CC(C)N1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC1 ZINC000164025573 1425069402 /nfs/dbraw/zinc/06/94/02/1425069402.db2.gz NVZYTYAPXOCPBN-SFHVURJKSA-N 1 3 393.597 3.070 20 0 GGADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000164056369 1425072664 /nfs/dbraw/zinc/07/26/64/1425072664.db2.gz COVPQCRYOLHDSA-YJBOKZPZSA-N 1 3 381.561 3.211 20 0 GGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000164585589 1425126408 /nfs/dbraw/zinc/12/64/08/1425126408.db2.gz VPBPGKLKJDVROS-SFHVURJKSA-N 1 3 377.532 3.174 20 0 GGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000164585589 1425126418 /nfs/dbraw/zinc/12/64/18/1425126418.db2.gz VPBPGKLKJDVROS-SFHVURJKSA-N 1 3 377.532 3.174 20 0 GGADHO O=C(c1ccoc1)N1CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000165297476 1425174311 /nfs/dbraw/zinc/17/43/11/1425174311.db2.gz QFWIPKSDYZPZJO-HXUWFJFHSA-N 1 3 381.520 3.038 20 0 GGADHO c1ccc(CCN2CC[C@H](C[NH2+]C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000165345836 1425176298 /nfs/dbraw/zinc/17/62/98/1425176298.db2.gz VAFLBNPSYZAJIF-HSZRJFAPSA-N 1 3 378.564 3.200 20 0 GGADHO C[C@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC[N@@H+]1C ZINC000165579781 1425186345 /nfs/dbraw/zinc/18/63/45/1425186345.db2.gz HRFHGQVQMILADD-YJBOKZPZSA-N 1 3 384.490 3.030 20 0 GGADHO C[C@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC[N@H+]1C ZINC000165579781 1425186348 /nfs/dbraw/zinc/18/63/48/1425186348.db2.gz HRFHGQVQMILADD-YJBOKZPZSA-N 1 3 384.490 3.030 20 0 GGADHO C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CN1C1CC1 ZINC000165596985 1425187399 /nfs/dbraw/zinc/18/73/99/1425187399.db2.gz SHEVDVRMPAJPNZ-QAPCUYQASA-N 1 3 396.501 3.172 20 0 GGADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000165955343 1425203019 /nfs/dbraw/zinc/20/30/19/1425203019.db2.gz WEXYWENCSQWYAX-FUHWJXTLSA-N 1 3 383.964 3.184 20 0 GGADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000165955230 1425203142 /nfs/dbraw/zinc/20/31/42/1425203142.db2.gz WEXYWENCSQWYAX-WMZOPIPTSA-N 1 3 383.964 3.184 20 0 GGADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)Cc2ccccc2C1 ZINC000166675050 1425215253 /nfs/dbraw/zinc/21/52/53/1425215253.db2.gz TTZJEVLIOBFVHS-UHFFFAOYSA-N 1 3 377.532 3.175 20 0 GGADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167361630 1425224770 /nfs/dbraw/zinc/22/47/70/1425224770.db2.gz SOULHRBMGXRUBT-LLGFUMIMSA-N 1 3 381.524 3.222 20 0 GGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167361514 1425225208 /nfs/dbraw/zinc/22/52/08/1425225208.db2.gz SOULHRBMGXRUBT-CBGDNZLLSA-N 1 3 381.524 3.222 20 0 GGADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(-c2ccccc2)cc1 ZINC000168948076 1425240417 /nfs/dbraw/zinc/24/04/17/1425240417.db2.gz MXCYGJLQYMIXCL-NRFANRHFSA-N 1 3 381.564 3.394 20 0 GGADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(-c2cccs2)cc1 ZINC000168897631 1425240905 /nfs/dbraw/zinc/24/09/05/1425240905.db2.gz IVZNSHYGQYZOCB-IBGZPJMESA-N 1 3 387.593 3.456 20 0 GGADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(-c2ccccc2)cc1 ZINC000168948177 1425241171 /nfs/dbraw/zinc/24/11/71/1425241171.db2.gz MXCYGJLQYMIXCL-OAQYLSRUSA-N 1 3 381.564 3.394 20 0 GGADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000170756293 1425328975 /nfs/dbraw/zinc/32/89/75/1425328975.db2.gz BRPGWDWQFWKDAC-RTBURBONSA-N 1 3 390.597 3.401 20 0 GGADHO CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170814237 1425351892 /nfs/dbraw/zinc/35/18/92/1425351892.db2.gz RHFYQRKYZCZYPF-NQIIRXRSSA-N 1 3 378.605 3.449 20 0 GGADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000171138948 1425502939 /nfs/dbraw/zinc/50/29/39/1425502939.db2.gz UJGWBICMWMUFKG-OAQYLSRUSA-N 1 3 380.536 3.434 20 0 GGADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000171138948 1425502943 /nfs/dbraw/zinc/50/29/43/1425502943.db2.gz UJGWBICMWMUFKG-OAQYLSRUSA-N 1 3 380.536 3.434 20 0 GGADHO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3cccc(CN(C)C)c3)CC2)C[C@H](C)O1 ZINC000171247593 1425565509 /nfs/dbraw/zinc/56/55/09/1425565509.db2.gz XXSHLJNYOUXPCX-ROUUACIJSA-N 1 3 388.556 3.101 20 0 GGADHO C[C@H]1CN(CC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000171304585 1425605577 /nfs/dbraw/zinc/60/55/77/1425605577.db2.gz IGGPOXUIFIBKLY-IRXDYDNUSA-N 1 3 393.959 3.490 20 0 GGADHO COc1ccc(C[NH+]2CCC(CN[C@H](C(=O)N(C)C)c3ccccc3)CC2)cc1 ZINC000172085399 1425893488 /nfs/dbraw/zinc/89/34/88/1425893488.db2.gz SEKWCCKSSCXIBX-QHCPKHFHSA-N 1 3 395.547 3.326 20 0 GGADHO C[C@@H](CCc1ccccc1F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000172929689 1426268445 /nfs/dbraw/zinc/26/84/45/1426268445.db2.gz PEPHPVRJAQICHR-KRWDZBQOSA-N 1 3 375.532 3.069 20 0 GGADHO Cc1nc(-c2cccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2)cs1 ZINC000172929801 1426269220 /nfs/dbraw/zinc/26/92/20/1426269220.db2.gz KXRDKUVPNNZDSI-UHFFFAOYSA-N 1 3 398.576 3.407 20 0 GGADHO CC(C)Oc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000172984127 1426293422 /nfs/dbraw/zinc/29/34/22/1426293422.db2.gz QSTXYIBCCBUMCP-UHFFFAOYSA-N 1 3 389.584 3.390 20 0 GGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000172984184 1426294821 /nfs/dbraw/zinc/29/48/21/1426294821.db2.gz MTKPHCJIKZYZCV-UHFFFAOYSA-N 1 3 397.510 3.204 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000173407439 1426590607 /nfs/dbraw/zinc/59/06/07/1426590607.db2.gz ILRUSESPLZCCGB-LJQANCHMSA-N 1 3 388.556 3.150 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000173407439 1426590621 /nfs/dbraw/zinc/59/06/21/1426590621.db2.gz ILRUSESPLZCCGB-LJQANCHMSA-N 1 3 388.556 3.150 20 0 GGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000173415893 1426598535 /nfs/dbraw/zinc/59/85/35/1426598535.db2.gz APEALCAWCLEXEH-ROUUACIJSA-N 1 3 378.586 3.258 20 0 GGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000173415893 1426598548 /nfs/dbraw/zinc/59/85/48/1426598548.db2.gz APEALCAWCLEXEH-ROUUACIJSA-N 1 3 378.586 3.258 20 0 GGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000173416740 1426599871 /nfs/dbraw/zinc/59/98/71/1426599871.db2.gz JLMMMDIDAMSHSJ-MSOLQXFVSA-N 1 3 378.586 3.401 20 0 GGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000173416740 1426599885 /nfs/dbraw/zinc/59/98/85/1426599885.db2.gz JLMMMDIDAMSHSJ-MSOLQXFVSA-N 1 3 378.586 3.401 20 0 GGADHO C[C@@H]([NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCOCC1)c1ccccc1 ZINC000173570911 1426738798 /nfs/dbraw/zinc/73/87/98/1426738798.db2.gz VLWMVKSIKDOLFV-UXHICEINSA-N 1 3 387.568 3.267 20 0 GGADHO COc1cccc(NC(=O)CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000173980440 1426923784 /nfs/dbraw/zinc/92/37/84/1426923784.db2.gz UBYJQPYAZPTNSX-FQEVSTJZSA-N 1 3 381.520 3.478 20 0 GGADHO COc1cccc(NC(=O)CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000173980440 1426923794 /nfs/dbraw/zinc/92/37/94/1426923794.db2.gz UBYJQPYAZPTNSX-FQEVSTJZSA-N 1 3 381.520 3.478 20 0 GGADHO CN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174185283 1427037840 /nfs/dbraw/zinc/03/78/40/1427037840.db2.gz GLYXPUWCCKABNU-QFIPXVFZSA-N 1 3 384.568 3.167 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000174216744 1427055281 /nfs/dbraw/zinc/05/52/81/1427055281.db2.gz FUBBZPPSZJIICQ-IFMALSPDSA-N 1 3 384.568 3.259 20 0 GGADHO CC(C)[NH+](CCCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000174350450 1427115268 /nfs/dbraw/zinc/11/52/68/1427115268.db2.gz CMXJMRBZPYTNSD-PMACEKPBSA-N 1 3 396.620 3.026 20 0 GGADHO CN(CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174398416 1427138267 /nfs/dbraw/zinc/13/82/67/1427138267.db2.gz OLAGETUGFMUXTD-HXUWFJFHSA-N 1 3 391.515 3.127 20 0 GGADHO CN(CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174398416 1427138270 /nfs/dbraw/zinc/13/82/70/1427138270.db2.gz OLAGETUGFMUXTD-HXUWFJFHSA-N 1 3 391.515 3.127 20 0 GGADHO CN(CCC(=O)N1CCc2ccccc21)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403448 1427141924 /nfs/dbraw/zinc/14/19/24/1427141924.db2.gz KRWHTQPUCMTGTK-OAQYLSRUSA-N 1 3 377.532 3.420 20 0 GGADHO CN(CCC(=O)N1CCc2ccccc21)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403448 1427141932 /nfs/dbraw/zinc/14/19/32/1427141932.db2.gz KRWHTQPUCMTGTK-OAQYLSRUSA-N 1 3 377.532 3.420 20 0 GGADHO CN(CCC(=O)N1CCc2ccccc21)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403435 1427141972 /nfs/dbraw/zinc/14/19/72/1427141972.db2.gz KRWHTQPUCMTGTK-NRFANRHFSA-N 1 3 377.532 3.420 20 0 GGADHO CN(CCC(=O)N1CCc2ccccc21)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403435 1427141977 /nfs/dbraw/zinc/14/19/77/1427141977.db2.gz KRWHTQPUCMTGTK-NRFANRHFSA-N 1 3 377.532 3.420 20 0 GGADHO C[C@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N1CCCCCC1 ZINC000175249199 1427625857 /nfs/dbraw/zinc/62/58/57/1427625857.db2.gz YDOSKFBNTQKYSY-UYAOXDASSA-N 1 3 385.552 3.355 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCSC4(CCCCC4)C3)CC2)CC1 ZINC000175470252 1427772360 /nfs/dbraw/zinc/77/23/60/1427772360.db2.gz XEAZFAKBAOQDRB-UHFFFAOYSA-N 1 3 394.629 3.006 20 0 GGADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000175636691 1427839910 /nfs/dbraw/zinc/83/99/10/1427839910.db2.gz JFDNXYGTVJCDLU-OAQYLSRUSA-N 1 3 384.568 3.357 20 0 GGADHO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000175933875 1427981749 /nfs/dbraw/zinc/98/17/49/1427981749.db2.gz IPKDUSYBROSECR-FQEVSTJZSA-N 1 3 386.584 3.414 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CC[NH+](C3CCCC3)CC2)o1 ZINC000176011699 1428026801 /nfs/dbraw/zinc/02/68/01/1428026801.db2.gz HSIILVMAMDORFD-UHFFFAOYSA-N 1 3 376.545 3.068 20 0 GGADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000176012385 1428026932 /nfs/dbraw/zinc/02/69/32/1428026932.db2.gz CCOZURRJIBQYII-UHFFFAOYSA-N 1 3 384.568 3.311 20 0 GGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1c(F)cccc1Cl ZINC000176020727 1428030984 /nfs/dbraw/zinc/03/09/84/1428030984.db2.gz DBGIAEOIECWHQI-AWEZNQCLSA-N 1 3 396.938 3.398 20 0 GGADHO CC(C)OCCN1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000176189735 1428153573 /nfs/dbraw/zinc/15/35/73/1428153573.db2.gz LNHHLZOJEMMZAR-OAQYLSRUSA-N 1 3 396.620 3.076 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000180312243 1429833579 /nfs/dbraw/zinc/83/35/79/1429833579.db2.gz XKOCSEAXMFSBFJ-LPOKXYRGSA-N 1 3 383.577 3.301 20 0 GGADHO O=C1c2ccccc2C(=O)N1CCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000180730278 1430005397 /nfs/dbraw/zinc/00/53/97/1430005397.db2.gz KFRVDIGJRCHYIR-UHFFFAOYSA-N 1 3 383.536 3.450 20 0 GGADHO COc1ccc([C@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000180977321 1430147670 /nfs/dbraw/zinc/14/76/70/1430147670.db2.gz AMTTZVDPFDPEHD-SFHVURJKSA-N 1 3 381.520 3.372 20 0 GGADHO COc1ccc([C@@H](C)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000180977335 1430147725 /nfs/dbraw/zinc/14/77/25/1430147725.db2.gz AMTTZVDPFDPEHD-GOSISDBHSA-N 1 3 381.520 3.372 20 0 GGADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000180977290 1430147852 /nfs/dbraw/zinc/14/78/52/1430147852.db2.gz WTEWKWTXDKQQLM-QGZVFWFLSA-N 1 3 395.503 3.092 20 0 GGADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000180977442 1430148361 /nfs/dbraw/zinc/14/83/61/1430148361.db2.gz DTMLHNCSIKZLNT-QFIPXVFZSA-N 1 3 381.495 3.428 20 0 GGADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(OC(F)F)c1 ZINC000180998243 1430159335 /nfs/dbraw/zinc/15/93/35/1430159335.db2.gz PFDMTTYWDKUZSE-HNNXBMFYSA-N 1 3 391.462 3.430 20 0 GGADHO C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181411016 1430291279 /nfs/dbraw/zinc/29/12/79/1430291279.db2.gz ANWHWFBBCHEZRV-YHYVQYDKSA-N 1 3 385.552 3.232 20 0 GGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181412680 1430291690 /nfs/dbraw/zinc/29/16/90/1430291690.db2.gz ROLYHLWVFCOVCQ-DQLDELGASA-N 1 3 387.524 3.062 20 0 GGADHO C[C@@H](CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000182031351 1430399314 /nfs/dbraw/zinc/39/93/14/1430399314.db2.gz IVXWAQABVSORIR-OALUTQOASA-N 1 3 387.572 3.171 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([S@](C)=O)cc1 ZINC000182235366 1430434506 /nfs/dbraw/zinc/43/45/06/1430434506.db2.gz BRWLWVHTOQOPDS-XADOIVSYSA-N 1 3 386.561 3.232 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc([S@](C)=O)cc1 ZINC000182235366 1430434509 /nfs/dbraw/zinc/43/45/09/1430434509.db2.gz BRWLWVHTOQOPDS-XADOIVSYSA-N 1 3 386.561 3.232 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000182247117 1430436504 /nfs/dbraw/zinc/43/65/04/1430436504.db2.gz UVYNAUBBVGZJNP-LAUBAEHRSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000182247117 1430436509 /nfs/dbraw/zinc/43/65/09/1430436509.db2.gz UVYNAUBBVGZJNP-LAUBAEHRSA-N 1 3 382.504 3.265 20 0 GGADHO CC(=O)Nc1cccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000182251920 1430437451 /nfs/dbraw/zinc/43/74/51/1430437451.db2.gz ILJKVACNWLROTC-GAJHUEQPSA-N 1 3 381.520 3.453 20 0 GGADHO CC(=O)Nc1cccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000182251920 1430437452 /nfs/dbraw/zinc/43/74/52/1430437452.db2.gz ILJKVACNWLROTC-GAJHUEQPSA-N 1 3 381.520 3.453 20 0 GGADHO COc1cc(C)c([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000182258867 1430438655 /nfs/dbraw/zinc/43/86/55/1430438655.db2.gz SXIPFLQPDNZNDH-PXNSSMCTSA-N 1 3 384.520 3.430 20 0 GGADHO COc1cc(C)c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OC ZINC000182258867 1430438659 /nfs/dbraw/zinc/43/86/59/1430438659.db2.gz SXIPFLQPDNZNDH-PXNSSMCTSA-N 1 3 384.520 3.430 20 0 GGADHO COCCc1nc(C)c([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000182269810 1430440381 /nfs/dbraw/zinc/44/03/81/1430440381.db2.gz URGRADMOZXVWTI-KXBFYZLASA-N 1 3 389.565 3.058 20 0 GGADHO COCCc1nc(C)c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000182269810 1430440385 /nfs/dbraw/zinc/44/03/85/1430440385.db2.gz URGRADMOZXVWTI-KXBFYZLASA-N 1 3 389.565 3.058 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000182272434 1430440655 /nfs/dbraw/zinc/44/06/55/1430440655.db2.gz BNJZKCNXLAWCRQ-UTKZUKDTSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000182272434 1430440658 /nfs/dbraw/zinc/44/06/58/1430440658.db2.gz BNJZKCNXLAWCRQ-UTKZUKDTSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@H](CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000182717299 1430525618 /nfs/dbraw/zinc/52/56/18/1430525618.db2.gz GOWCOVSLZSBHOP-GOSISDBHSA-N 1 3 376.545 3.150 20 0 GGADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1CN1CCCCC1 ZINC000182776553 1430538059 /nfs/dbraw/zinc/53/80/59/1430538059.db2.gz GBZAODOCQGVHHB-OXQOHEQNSA-N 1 3 383.540 3.247 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182780048 1430538592 /nfs/dbraw/zinc/53/85/92/1430538592.db2.gz MCSNBCXAGIQPQP-SVFBPWRDSA-N 1 3 386.584 3.459 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182780048 1430538597 /nfs/dbraw/zinc/53/85/97/1430538597.db2.gz MCSNBCXAGIQPQP-SVFBPWRDSA-N 1 3 386.584 3.459 20 0 GGADHO C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182856937 1430554831 /nfs/dbraw/zinc/55/48/31/1430554831.db2.gz TVPOXAKYTNPZJL-MOPGFXCFSA-N 1 3 376.589 3.299 20 0 GGADHO C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182856937 1430554833 /nfs/dbraw/zinc/55/48/33/1430554833.db2.gz TVPOXAKYTNPZJL-MOPGFXCFSA-N 1 3 376.589 3.299 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182869689 1430557759 /nfs/dbraw/zinc/55/77/59/1430557759.db2.gz GBHLWHCWLAZWHG-FPOVZHCZSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182869689 1430557769 /nfs/dbraw/zinc/55/77/69/1430557769.db2.gz GBHLWHCWLAZWHG-FPOVZHCZSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182930813 1430574317 /nfs/dbraw/zinc/57/43/17/1430574317.db2.gz HDRURKBZHWHPGZ-ZWKOTPCHSA-N 1 3 376.545 3.006 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182930813 1430574321 /nfs/dbraw/zinc/57/43/21/1430574321.db2.gz HDRURKBZHWHPGZ-ZWKOTPCHSA-N 1 3 376.545 3.006 20 0 GGADHO C[C@H](c1nc(-c2cccnc2)no1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182967398 1430582378 /nfs/dbraw/zinc/58/23/78/1430582378.db2.gz GYKRXHSDTULTOP-QGZVFWFLSA-N 1 3 385.512 3.017 20 0 GGADHO Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182975050 1430583661 /nfs/dbraw/zinc/58/36/61/1430583661.db2.gz QJXUDURPRVNGIQ-GOSISDBHSA-N 1 3 391.531 3.286 20 0 GGADHO COc1ccc([C@@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)cc1CN1CCCCC1 ZINC000183133722 1430623901 /nfs/dbraw/zinc/62/39/01/1430623901.db2.gz JUUGNAMTGHRESF-DLBZAZTESA-N 1 3 382.570 3.155 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NCC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC000183226508 1430652808 /nfs/dbraw/zinc/65/28/08/1430652808.db2.gz SUVKOIXCISOPSO-IAGOWNOFSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c(OC)c1 ZINC000183226508 1430652813 /nfs/dbraw/zinc/65/28/13/1430652813.db2.gz SUVKOIXCISOPSO-IAGOWNOFSA-N 1 3 377.529 3.275 20 0 GGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](c3nccn3C)C3CC3)CC2)c1 ZINC000183241082 1430657430 /nfs/dbraw/zinc/65/74/30/1430657430.db2.gz JWUZNBAXIAQRCZ-JOCHJYFZSA-N 1 3 381.568 3.372 20 0 GGADHO Cc1cccc(N2CC[NH+](CCCCN[C@@H](c3nccn3C)C3CC3)CC2)c1 ZINC000183241082 1430657438 /nfs/dbraw/zinc/65/74/38/1430657438.db2.gz JWUZNBAXIAQRCZ-JOCHJYFZSA-N 1 3 381.568 3.372 20 0 GGADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000184671161 1430938208 /nfs/dbraw/zinc/93/82/08/1430938208.db2.gz FJNWQMUITADFHA-QGZVFWFLSA-N 1 3 383.458 3.269 20 0 GGADHO C[C@@H](CCNC(=O)NC[C@H](c1cccs1)N1CCCC1)[NH+]1CCCCC1 ZINC000184717604 1430951829 /nfs/dbraw/zinc/95/18/29/1430951829.db2.gz GGJRHNFYZYYRNM-ZWKOTPCHSA-N 1 3 378.586 3.449 20 0 GGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC(=O)Nc1ccccc1 ZINC000184740269 1430960801 /nfs/dbraw/zinc/96/08/01/1430960801.db2.gz CKANSMQURBJSSK-ROUUACIJSA-N 1 3 394.519 3.081 20 0 GGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000184754522 1430967221 /nfs/dbraw/zinc/96/72/21/1430967221.db2.gz WCIYKPCDMCNKGL-ROUUACIJSA-N 1 3 383.511 3.188 20 0 GGADHO CC[C@@H]1Cc2ccccc2CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184773492 1430973156 /nfs/dbraw/zinc/97/31/56/1430973156.db2.gz KAYCKMZWUFXIQZ-OAQYLSRUSA-N 1 3 384.568 3.092 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@]3(C)Cc3ccccc3)CC2)CC1 ZINC000184773337 1430973472 /nfs/dbraw/zinc/97/34/72/1430973472.db2.gz GDVHRWSATQHEHB-XMMPIXPASA-N 1 3 398.595 3.352 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N(C)CC[C@@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000184924982 1431022818 /nfs/dbraw/zinc/02/28/18/1431022818.db2.gz DLPMTPUVZRPSEF-FQEVSTJZSA-N 1 3 387.572 3.167 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)c2)CC1 ZINC000184924982 1431022820 /nfs/dbraw/zinc/02/28/20/1431022820.db2.gz DLPMTPUVZRPSEF-FQEVSTJZSA-N 1 3 387.572 3.167 20 0 GGADHO C[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1COc2ccccc21 ZINC000185545167 1431168052 /nfs/dbraw/zinc/16/80/52/1431168052.db2.gz ZZXBNQKJYXHVMI-AVRDEDQJSA-N 1 3 393.531 3.053 20 0 GGADHO C[C@H](NC[C@H](O)COCc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185733337 1431218645 /nfs/dbraw/zinc/21/86/45/1431218645.db2.gz NUMPTASHWXBNDB-QKLQHJQFSA-N 1 3 380.960 3.460 20 0 GGADHO C[C@H](NC[C@H](O)COCc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185733337 1431218651 /nfs/dbraw/zinc/21/86/51/1431218651.db2.gz NUMPTASHWXBNDB-QKLQHJQFSA-N 1 3 380.960 3.460 20 0 GGADHO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000185733337 1431218663 /nfs/dbraw/zinc/21/86/63/1431218663.db2.gz NUMPTASHWXBNDB-QKLQHJQFSA-N 1 3 380.960 3.460 20 0 GGADHO Cc1cc2ncn(C[C@@H](O)CN[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000185761199 1431227437 /nfs/dbraw/zinc/22/74/37/1431227437.db2.gz FYDFOTOHFTWOOG-SBHAEUEKSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@@H](O)CN[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2cc1C ZINC000185761199 1431227440 /nfs/dbraw/zinc/22/74/40/1431227440.db2.gz FYDFOTOHFTWOOG-SBHAEUEKSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H](C)[C@@H]3CCCN(C4CCC4)C3)c2cc1C ZINC000185761199 1431227444 /nfs/dbraw/zinc/22/74/44/1431227444.db2.gz FYDFOTOHFTWOOG-SBHAEUEKSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@H](O)CN[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000185761183 1431227613 /nfs/dbraw/zinc/22/76/13/1431227613.db2.gz FYDFOTOHFTWOOG-SFHLNBCPSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@H](O)CN[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c2cc1C ZINC000185761183 1431227620 /nfs/dbraw/zinc/22/76/20/1431227620.db2.gz FYDFOTOHFTWOOG-SFHLNBCPSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)[C@@H]3CCCN(C4CCC4)C3)c2cc1C ZINC000185761183 1431227622 /nfs/dbraw/zinc/22/76/22/1431227622.db2.gz FYDFOTOHFTWOOG-SFHLNBCPSA-N 1 3 384.568 3.257 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185822475 1431243969 /nfs/dbraw/zinc/24/39/69/1431243969.db2.gz IMVCGLQMLRGSGG-SFHVURJKSA-N 1 3 387.572 3.028 20 0 GGADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(C[NH3+])cc1 ZINC000186472194 1431429353 /nfs/dbraw/zinc/42/93/53/1431429353.db2.gz XAKIAQYHIZKJIH-NRFANRHFSA-N 1 3 389.503 3.350 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000187015350 1431590923 /nfs/dbraw/zinc/59/09/23/1431590923.db2.gz FOCWKZKJJRUUIF-OEMYIYORSA-N 1 3 393.547 3.118 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187159712 1431634536 /nfs/dbraw/zinc/63/45/36/1431634536.db2.gz HWEYDZNZNSIMEV-ZBFHGGJFSA-N 1 3 398.389 3.387 20 0 GGADHO CN1c2ccc(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)cc2CCC1=O ZINC000187198090 1431644384 /nfs/dbraw/zinc/64/43/84/1431644384.db2.gz LZWIFGDBLUODHX-NRFANRHFSA-N 1 3 377.532 3.250 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187204561 1431646952 /nfs/dbraw/zinc/64/69/52/1431646952.db2.gz RYNAALSBYIQTTO-LJQANCHMSA-N 1 3 382.552 3.120 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCSCC1 ZINC000187346915 1431704257 /nfs/dbraw/zinc/70/42/57/1431704257.db2.gz BOVMEEGGSPNZNT-KRWDZBQOSA-N 1 3 375.582 3.134 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)c2)CC1 ZINC000187405701 1431720953 /nfs/dbraw/zinc/72/09/53/1431720953.db2.gz FJSUOGKKXKYRDH-IBGZPJMESA-N 1 3 384.568 3.422 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)c2)CC1 ZINC000187405701 1431720956 /nfs/dbraw/zinc/72/09/56/1431720956.db2.gz FJSUOGKKXKYRDH-IBGZPJMESA-N 1 3 384.568 3.422 20 0 GGADHO C[C@H]1CCCCN1CCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000189004309 1432025306 /nfs/dbraw/zinc/02/53/06/1432025306.db2.gz OPIFPHSJTMQZTJ-VIQWUECVSA-N 1 3 383.536 3.448 20 0 GGADHO C[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)CN1CCCCC1 ZINC000189055895 1432035818 /nfs/dbraw/zinc/03/58/18/1432035818.db2.gz DFGYXXGINJXWLO-LMDPOFIKSA-N 1 3 383.536 3.305 20 0 GGADHO C[C@H](CC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)N1CCCCC1 ZINC000189403073 1432099405 /nfs/dbraw/zinc/09/94/05/1432099405.db2.gz XTJVSISVXLXACT-LMDPOFIKSA-N 1 3 383.536 3.448 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)CC2)CC1 ZINC000189781616 1432233936 /nfs/dbraw/zinc/23/39/36/1432233936.db2.gz JLHHGRPGTXBNQT-RBBKRZOGSA-N 1 3 398.595 3.256 20 0 GGADHO COCCN(C)c1ccc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000190910563 1432527110 /nfs/dbraw/zinc/52/71/10/1432527110.db2.gz MDQVFEYQLRITCD-IBGZPJMESA-N 1 3 388.581 3.228 20 0 GGADHO COCCN(C)c1ccc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000190910563 1432527116 /nfs/dbraw/zinc/52/71/16/1432527116.db2.gz MDQVFEYQLRITCD-IBGZPJMESA-N 1 3 388.581 3.228 20 0 GGADHO COCCN(C)c1ccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000190910582 1432527188 /nfs/dbraw/zinc/52/71/88/1432527188.db2.gz MDQVFEYQLRITCD-LJQANCHMSA-N 1 3 388.581 3.228 20 0 GGADHO COCCN(C)c1ccc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000190910582 1432527196 /nfs/dbraw/zinc/52/71/96/1432527196.db2.gz MDQVFEYQLRITCD-LJQANCHMSA-N 1 3 388.581 3.228 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3ccc(Cl)cc3F)CC2)CC1 ZINC000191012969 1432550013 /nfs/dbraw/zinc/55/00/13/1432550013.db2.gz ASADTZBVXDWHQR-UHFFFAOYSA-N 1 3 395.950 3.432 20 0 GGADHO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)CCS2 ZINC000191503173 1432673917 /nfs/dbraw/zinc/67/39/17/1432673917.db2.gz IOMGGXNTUZUQCC-LJQANCHMSA-N 1 3 384.549 3.169 20 0 GGADHO CC(C)[NH+]1CCN(CCCN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000191504651 1432674744 /nfs/dbraw/zinc/67/47/44/1432674744.db2.gz PZSDJTVAROUEFM-FQEVSTJZSA-N 1 3 375.532 3.137 20 0 GGADHO CCOC(=O)c1csc(CCN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000191561826 1432683143 /nfs/dbraw/zinc/68/31/43/1432683143.db2.gz FBYGYJXUZMREGB-FHWLQOOXSA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CCN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000191561826 1432683146 /nfs/dbraw/zinc/68/31/46/1432683146.db2.gz FBYGYJXUZMREGB-FHWLQOOXSA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CC[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000191561826 1432683149 /nfs/dbraw/zinc/68/31/49/1432683149.db2.gz FBYGYJXUZMREGB-FHWLQOOXSA-N 1 3 399.560 3.363 20 0 GGADHO COC(=O)[C@](C)(CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000191586112 1432687583 /nfs/dbraw/zinc/68/75/83/1432687583.db2.gz WBBCAVCMDNBDSL-XMMPIXPASA-N 1 3 380.532 3.414 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000192773261 1432888587 /nfs/dbraw/zinc/88/85/87/1432888587.db2.gz LSFVLWSROATTSI-WOJBJXKFSA-N 1 3 396.620 3.028 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000192773261 1432888590 /nfs/dbraw/zinc/88/85/90/1432888590.db2.gz LSFVLWSROATTSI-WOJBJXKFSA-N 1 3 396.620 3.028 20 0 GGADHO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192775019 1432888753 /nfs/dbraw/zinc/88/87/53/1432888753.db2.gz KJIMRXCDHZLOAK-FQEVSTJZSA-N 1 3 382.980 3.288 20 0 GGADHO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 ZINC000193850472 1433072739 /nfs/dbraw/zinc/07/27/39/1433072739.db2.gz BTVNOTKEKYGZHD-QGZVFWFLSA-N 1 3 378.586 3.447 20 0 GGADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193926463 1433085690 /nfs/dbraw/zinc/08/56/90/1433085690.db2.gz RXDIFRLJCQNKJU-RBBKRZOGSA-N 1 3 380.536 3.111 20 0 GGADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193926463 1433085694 /nfs/dbraw/zinc/08/56/94/1433085694.db2.gz RXDIFRLJCQNKJU-RBBKRZOGSA-N 1 3 380.536 3.111 20 0 GGADHO CN(C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193926494 1433086217 /nfs/dbraw/zinc/08/62/17/1433086217.db2.gz RXDIFRLJCQNKJU-IFMALSPDSA-N 1 3 380.536 3.111 20 0 GGADHO CN(C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193926494 1433086218 /nfs/dbraw/zinc/08/62/18/1433086218.db2.gz RXDIFRLJCQNKJU-IFMALSPDSA-N 1 3 380.536 3.111 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000194967625 1433274138 /nfs/dbraw/zinc/27/41/38/1433274138.db2.gz RWNGIAUBMOLKOF-FQEVSTJZSA-N 1 3 386.584 3.067 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)cc2)CC1 ZINC000194967625 1433274141 /nfs/dbraw/zinc/27/41/41/1433274141.db2.gz RWNGIAUBMOLKOF-FQEVSTJZSA-N 1 3 386.584 3.067 20 0 GGADHO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000195132815 1433297014 /nfs/dbraw/zinc/29/70/14/1433297014.db2.gz CFLJKGBLKKLFFZ-FUHWJXTLSA-N 1 3 390.524 3.402 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCc3cccc(Cl)c3)CC2)CC1 ZINC000195281302 1433314787 /nfs/dbraw/zinc/31/47/87/1433314787.db2.gz HDISMVMWAXIXOD-UHFFFAOYSA-N 1 3 392.975 3.130 20 0 GGADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000195383409 1433324577 /nfs/dbraw/zinc/32/45/77/1433324577.db2.gz ZUBFCEIKVZEXRH-UHFFFAOYSA-N 1 3 378.536 3.162 20 0 GGADHO CN(CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccccc1 ZINC000195614402 1433341836 /nfs/dbraw/zinc/34/18/36/1433341836.db2.gz JADDRLRMJYSOFS-QFIPXVFZSA-N 1 3 380.536 3.255 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236824856 1433380178 /nfs/dbraw/zinc/38/01/78/1433380178.db2.gz ABIGKGYUEKFVFF-UWJYYQICSA-N 1 3 375.557 3.220 20 0 GGADHO CCN(CC)[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000236876989 1433381709 /nfs/dbraw/zinc/38/17/09/1433381709.db2.gz UNTPCDLDKGABFU-YFVAEKQCSA-N 1 3 375.557 3.220 20 0 GGADHO CCOc1c(Br)cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1OC ZINC000237005674 1433385730 /nfs/dbraw/zinc/38/57/30/1433385730.db2.gz WPZWLBBIIAKIPV-CYBMUJFWSA-N 1 3 383.330 3.430 20 0 GGADHO COCC[NH+]1CCC(NCc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000237129674 1433390282 /nfs/dbraw/zinc/39/02/82/1433390282.db2.gz CXFCSVOIGDWKDE-UHFFFAOYSA-N 1 3 391.519 3.135 20 0 GGADHO CN1CC[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000237144611 1433390686 /nfs/dbraw/zinc/39/06/86/1433390686.db2.gz IZRBMPINXUCZAN-MNEFBYGVSA-N 1 3 375.875 3.288 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000237244030 1433393884 /nfs/dbraw/zinc/39/38/84/1433393884.db2.gz HGAYIVXAJLXWGS-MRXNPFEDSA-N 1 3 377.529 3.131 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(CCN2CCSCC2)cc1)C1CC[NH2+]CC1 ZINC000237364249 1433399209 /nfs/dbraw/zinc/39/92/09/1433399209.db2.gz NECUVQLMBBTVRV-KRWDZBQOSA-N 1 3 375.582 3.242 20 0 GGADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)C[C@@H](C)O1 ZINC000237400829 1433400869 /nfs/dbraw/zinc/40/08/69/1433400869.db2.gz QANBHYUXEUHQPK-WOIUINJBSA-N 1 3 387.568 3.205 20 0 GGADHO C[C@H](C(=O)NCCC[NH2+]Cc1cccnc1)N1CCC(Cc2ccccc2)CC1 ZINC000237406457 1433401331 /nfs/dbraw/zinc/40/13/31/1433401331.db2.gz XIZSICISZZXEGJ-HXUWFJFHSA-N 1 3 394.563 3.021 20 0 GGADHO C[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000237479558 1433405552 /nfs/dbraw/zinc/40/55/52/1433405552.db2.gz XYFXYWVBQZBIES-IBGZPJMESA-N 1 3 383.580 3.320 20 0 GGADHO C[C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)N1CCC(Cc2ccccc2)CC1 ZINC000237480014 1433405594 /nfs/dbraw/zinc/40/55/94/1433405594.db2.gz XIZSICISZZXEGJ-FQEVSTJZSA-N 1 3 394.563 3.021 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@H](C)O1 ZINC000237609390 1433412153 /nfs/dbraw/zinc/41/21/53/1433412153.db2.gz ZVRBATKKGCSGPL-JQVVWYNYSA-N 1 3 376.541 3.223 20 0 GGADHO C[C@H]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237702559 1433418003 /nfs/dbraw/zinc/41/80/03/1433418003.db2.gz AEYGAZGLRMFVCO-NRFANRHFSA-N 1 3 391.559 3.431 20 0 GGADHO [NH3+]C[C@@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000238021670 1433439446 /nfs/dbraw/zinc/43/94/46/1433439446.db2.gz FMQPQUHPUCEQJK-HXUWFJFHSA-N 1 3 385.939 3.411 20 0 GGADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@H]2CCCO[C@H]21 ZINC000245850894 1433526020 /nfs/dbraw/zinc/52/60/20/1433526020.db2.gz GIQIUUCGNQRQRJ-DNVJHFABSA-N 1 3 385.596 3.378 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC)CC2)c1ccsc1 ZINC000245886267 1433533724 /nfs/dbraw/zinc/53/37/24/1433533724.db2.gz LUFLYFMJYBDLAG-CEXWTWQISA-N 1 3 378.586 3.399 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC)CC2)c1ccsc1 ZINC000245886267 1433533725 /nfs/dbraw/zinc/53/37/25/1433533725.db2.gz LUFLYFMJYBDLAG-CEXWTWQISA-N 1 3 378.586 3.399 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000245981305 1433552899 /nfs/dbraw/zinc/55/28/99/1433552899.db2.gz YKKIXZIVCFCVGK-CEXWTWQISA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000245981305 1433552904 /nfs/dbraw/zinc/55/29/04/1433552904.db2.gz YKKIXZIVCFCVGK-CEXWTWQISA-N 1 3 387.572 3.027 20 0 GGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)C1 ZINC000246026490 1433559292 /nfs/dbraw/zinc/55/92/92/1433559292.db2.gz LBKBJDCSOYJVDL-QMMLZNLJSA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CCCC[C@@H]3S(C)(=O)=O)cc2)C1 ZINC000246026490 1433559296 /nfs/dbraw/zinc/55/92/96/1433559296.db2.gz LBKBJDCSOYJVDL-QMMLZNLJSA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@H]3CCCC[C@H]3S(C)(=O)=O)cc2)C1 ZINC000246026484 1433559398 /nfs/dbraw/zinc/55/93/98/1433559398.db2.gz LBKBJDCSOYJVDL-JRGCBEDISA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CCCC[C@H]3S(C)(=O)=O)cc2)C1 ZINC000246026484 1433559402 /nfs/dbraw/zinc/55/94/02/1433559402.db2.gz LBKBJDCSOYJVDL-JRGCBEDISA-N 1 3 378.582 3.364 20 0 GGADHO COCCOc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246294881 1433590853 /nfs/dbraw/zinc/59/08/53/1433590853.db2.gz CQGDZTPDFOGFBP-MTNREXPMSA-N 1 3 376.541 3.130 20 0 GGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246297372 1433591557 /nfs/dbraw/zinc/59/15/57/1433591557.db2.gz IXKRDIQKOGWCSO-WWNPGLIZSA-N 1 3 396.579 3.482 20 0 GGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246297372 1433591559 /nfs/dbraw/zinc/59/15/59/1433591559.db2.gz IXKRDIQKOGWCSO-WWNPGLIZSA-N 1 3 396.579 3.482 20 0 GGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246324988 1433595300 /nfs/dbraw/zinc/59/53/00/1433595300.db2.gz CMBGZQKEVWIWOM-MDNUFGMLSA-N 1 3 396.579 3.482 20 0 GGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246324988 1433595302 /nfs/dbraw/zinc/59/53/02/1433595302.db2.gz CMBGZQKEVWIWOM-MDNUFGMLSA-N 1 3 396.579 3.482 20 0 GGADHO COCCc1nc(C)c([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000246466442 1433616952 /nfs/dbraw/zinc/61/69/52/1433616952.db2.gz QFQSKYLHVJGUDZ-JCGIZDLHSA-N 1 3 381.586 3.059 20 0 GGADHO CS[C@@H]1CCCCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000246546052 1433629131 /nfs/dbraw/zinc/62/91/31/1433629131.db2.gz KEDPHPVZERCBKK-GHTZIAJQSA-N 1 3 389.609 3.373 20 0 GGADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC[C@H]21 ZINC000246710686 1433653599 /nfs/dbraw/zinc/65/35/99/1433653599.db2.gz FFDYWEHTGVGFNE-KURKYZTESA-N 1 3 376.570 3.011 20 0 GGADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC[C@H]21 ZINC000246710686 1433653603 /nfs/dbraw/zinc/65/36/03/1433653603.db2.gz FFDYWEHTGVGFNE-KURKYZTESA-N 1 3 376.570 3.011 20 0 GGADHO Clc1ccccc1N1CCN(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246731061 1433656603 /nfs/dbraw/zinc/65/66/03/1433656603.db2.gz NYFLIZYQNZQXTQ-MOPGFXCFSA-N 1 3 376.976 3.069 20 0 GGADHO Clc1ccccc1N1CCN(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246731061 1433656606 /nfs/dbraw/zinc/65/66/06/1433656606.db2.gz NYFLIZYQNZQXTQ-MOPGFXCFSA-N 1 3 376.976 3.069 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000246828175 1433675292 /nfs/dbraw/zinc/67/52/92/1433675292.db2.gz DRRFJKRMGYTROF-ZWKOTPCHSA-N 1 3 378.586 3.162 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000246828175 1433675298 /nfs/dbraw/zinc/67/52/98/1433675298.db2.gz DRRFJKRMGYTROF-ZWKOTPCHSA-N 1 3 378.586 3.162 20 0 GGADHO C[C@@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000246862654 1433679689 /nfs/dbraw/zinc/67/96/89/1433679689.db2.gz DAENXYVYUOBEHL-RTBURBONSA-N 1 3 398.551 3.098 20 0 GGADHO C[C@@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000246886814 1433682723 /nfs/dbraw/zinc/68/27/23/1433682723.db2.gz FFOLKXOEUMJCIK-RTBURBONSA-N 1 3 398.551 3.098 20 0 GGADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247332409 1433708471 /nfs/dbraw/zinc/70/84/71/1433708471.db2.gz JJWFOHCRAWSOQL-FGZHOGPDSA-N 1 3 384.568 3.311 20 0 GGADHO COc1cccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000247412411 1433719542 /nfs/dbraw/zinc/71/95/42/1433719542.db2.gz ZISMVNXFCKHMOM-DYESRHJHSA-N 1 3 381.520 3.243 20 0 GGADHO COc1cccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000247412411 1433719547 /nfs/dbraw/zinc/71/95/47/1433719547.db2.gz ZISMVNXFCKHMOM-DYESRHJHSA-N 1 3 381.520 3.243 20 0 GGADHO COc1ccc([C@@H](C)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000247936514 1433757055 /nfs/dbraw/zinc/75/70/55/1433757055.db2.gz CNPAHJPERKAYOI-DYESRHJHSA-N 1 3 381.520 3.243 20 0 GGADHO COc1ccc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000247936514 1433757059 /nfs/dbraw/zinc/75/70/59/1433757059.db2.gz CNPAHJPERKAYOI-DYESRHJHSA-N 1 3 381.520 3.243 20 0 GGADHO NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000248388852 1433792979 /nfs/dbraw/zinc/79/29/79/1433792979.db2.gz AGICXKDLKSHTFQ-DNVJHFABSA-N 1 3 377.532 3.218 20 0 GGADHO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000248390015 1433793575 /nfs/dbraw/zinc/79/35/75/1433793575.db2.gz BEJUDJGXKRTVJJ-WXFUMESZSA-N 1 3 391.559 3.479 20 0 GGADHO Cc1ccc(CNC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000248397093 1433795887 /nfs/dbraw/zinc/79/58/87/1433795887.db2.gz LAVIAFKUPLIMEX-GZOXUSKESA-N 1 3 379.548 3.357 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1F ZINC000248409070 1433800269 /nfs/dbraw/zinc/80/02/69/1433800269.db2.gz WHOLOVCTEIMLEQ-UNWVZKJWSA-N 1 3 395.522 3.446 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1F ZINC000248409070 1433800270 /nfs/dbraw/zinc/80/02/70/1433800270.db2.gz WHOLOVCTEIMLEQ-UNWVZKJWSA-N 1 3 395.522 3.446 20 0 GGADHO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)N(C)Cc1ccccc1 ZINC000248411952 1433800693 /nfs/dbraw/zinc/80/06/93/1433800693.db2.gz ZTWGYCJPLGLTCT-DYXWJJEUSA-N 1 3 386.584 3.459 20 0 GGADHO C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)N(C)Cc1ccccc1 ZINC000248411952 1433800694 /nfs/dbraw/zinc/80/06/94/1433800694.db2.gz ZTWGYCJPLGLTCT-DYXWJJEUSA-N 1 3 386.584 3.459 20 0 GGADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248456662 1433804248 /nfs/dbraw/zinc/80/42/48/1433804248.db2.gz SKJFNDSGNOFIDQ-HXOBKFHXSA-N 1 3 381.520 3.453 20 0 GGADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248456662 1433804249 /nfs/dbraw/zinc/80/42/49/1433804249.db2.gz SKJFNDSGNOFIDQ-HXOBKFHXSA-N 1 3 381.520 3.453 20 0 GGADHO COCCOc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000248456323 1433804349 /nfs/dbraw/zinc/80/43/49/1433804349.db2.gz SEVAGGNIWKBGGE-PGRDOPGGSA-N 1 3 384.520 3.129 20 0 GGADHO COCCOc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248456323 1433804350 /nfs/dbraw/zinc/80/43/50/1433804350.db2.gz SEVAGGNIWKBGGE-PGRDOPGGSA-N 1 3 384.520 3.129 20 0 GGADHO COCCc1nc(C)c([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000248458435 1433804482 /nfs/dbraw/zinc/80/44/82/1433804482.db2.gz URGRADMOZXVWTI-HNAYVOBHSA-N 1 3 389.565 3.058 20 0 GGADHO COCCc1nc(C)c([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000248458435 1433804483 /nfs/dbraw/zinc/80/44/83/1433804483.db2.gz URGRADMOZXVWTI-HNAYVOBHSA-N 1 3 389.565 3.058 20 0 GGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248770461 1433821447 /nfs/dbraw/zinc/82/14/47/1433821447.db2.gz XZHFBWIJJYYLOB-CEXWTWQISA-N 1 3 383.577 3.111 20 0 GGADHO CCOC(=O)C1CCC(O)(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000248833041 1433824769 /nfs/dbraw/zinc/82/47/69/1433824769.db2.gz MJLODTVIBUGZMX-NDUMYTTKSA-N 1 3 380.573 3.057 20 0 GGADHO CCOC(=O)C1CCC(O)(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000248833041 1433824772 /nfs/dbraw/zinc/82/47/72/1433824772.db2.gz MJLODTVIBUGZMX-NDUMYTTKSA-N 1 3 380.573 3.057 20 0 GGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248917235 1433829498 /nfs/dbraw/zinc/82/94/98/1433829498.db2.gz DKSDJZYKJQPODZ-FCHUYYIVSA-N 1 3 386.584 3.270 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCCNc4ccccc43)c2)C1 ZINC000249058508 1433833331 /nfs/dbraw/zinc/83/33/31/1433833331.db2.gz ZKGFAVMMVSJWDA-NFBKMPQASA-N 1 3 392.547 3.421 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCCNc4ccccc43)c2)C1 ZINC000249058508 1433833332 /nfs/dbraw/zinc/83/33/32/1433833332.db2.gz ZKGFAVMMVSJWDA-NFBKMPQASA-N 1 3 392.547 3.421 20 0 GGADHO CCN(C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000249271841 1433840004 /nfs/dbraw/zinc/84/00/04/1433840004.db2.gz BLWNSAZSPCUKOL-YADHBBJMSA-N 1 3 386.584 3.270 20 0 GGADHO CCN(C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000249271841 1433840005 /nfs/dbraw/zinc/84/00/05/1433840005.db2.gz BLWNSAZSPCUKOL-YADHBBJMSA-N 1 3 386.584 3.270 20 0 GGADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000249346927 1433841541 /nfs/dbraw/zinc/84/15/41/1433841541.db2.gz OOJRHMJMRHKBKY-WTIAFYNJSA-N 1 3 395.547 3.163 20 0 GGADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1ccccc1 ZINC000249346922 1433841568 /nfs/dbraw/zinc/84/15/68/1433841568.db2.gz OOJRHMJMRHKBKY-UEVCKROQSA-N 1 3 395.547 3.163 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000249412813 1433843195 /nfs/dbraw/zinc/84/31/95/1433843195.db2.gz FOCWKZKJJRUUIF-OOSNJVJTSA-N 1 3 393.547 3.118 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2ccccc2C)[C@@H](C)C1 ZINC000249493290 1433844962 /nfs/dbraw/zinc/84/49/62/1433844962.db2.gz VSBICHTVFQGCMJ-HIUFNZKISA-N 1 3 389.584 3.287 20 0 GGADHO CC(C)N(C)c1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000249712725 1433849466 /nfs/dbraw/zinc/84/94/66/1433849466.db2.gz ZDRGDGZXWWYZKO-QFIPXVFZSA-N 1 3 382.552 3.173 20 0 GGADHO CC(C)N(C)c1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cn1 ZINC000249712725 1433849469 /nfs/dbraw/zinc/84/94/69/1433849469.db2.gz ZDRGDGZXWWYZKO-QFIPXVFZSA-N 1 3 382.552 3.173 20 0 GGADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000249754376 1433851185 /nfs/dbraw/zinc/85/11/85/1433851185.db2.gz CLRYFYIOGGPCOF-QRVBRYPASA-N 1 3 390.572 3.252 20 0 GGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000250658163 1433857188 /nfs/dbraw/zinc/85/71/88/1433857188.db2.gz XJUXHTDWBKZYLH-JTHBVZDNSA-N 1 3 395.522 3.428 20 0 GGADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000250658163 1433857190 /nfs/dbraw/zinc/85/71/90/1433857190.db2.gz XJUXHTDWBKZYLH-JTHBVZDNSA-N 1 3 395.522 3.428 20 0 GGADHO [NH3+]C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000261747106 1433901151 /nfs/dbraw/zinc/90/11/51/1433901151.db2.gz PUIJPDXRMUMYRS-QUCCMNQESA-N 1 3 390.487 3.022 20 0 GGADHO c1csc(-c2nn(-c3ccccc3)cc2CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262074357 1433926009 /nfs/dbraw/zinc/92/60/09/1433926009.db2.gz CWCDUFCFJKACBL-FQEVSTJZSA-N 1 3 393.560 3.080 20 0 GGADHO Clc1ccccc1COc1cccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262102389 1433926938 /nfs/dbraw/zinc/92/69/38/1433926938.db2.gz IWXQHHMRAARAAA-HXUWFJFHSA-N 1 3 385.939 3.399 20 0 GGADHO C[C@@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000262631428 1433946996 /nfs/dbraw/zinc/94/69/96/1433946996.db2.gz FITHHDVPNUVRBU-VGOFRKELSA-N 1 3 381.520 3.166 20 0 GGADHO CC1CCN([C@@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c2ccccc2)CC1 ZINC000262747930 1433953674 /nfs/dbraw/zinc/95/36/74/1433953674.db2.gz KBEBYAVHQYFFGW-IRLDBZIGSA-N 1 3 395.551 3.011 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1(C)C ZINC000262763501 1433954565 /nfs/dbraw/zinc/95/45/65/1433954565.db2.gz FGQCKVYMMVIKMN-NFBKMPQASA-N 1 3 387.568 3.067 20 0 GGADHO C[C@@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)N1CCC(Cc2ccccc2)CC1 ZINC000262777213 1433955551 /nfs/dbraw/zinc/95/55/51/1433955551.db2.gz JOAGFWJMFJQGRS-SFHVURJKSA-N 1 3 377.532 3.249 20 0 GGADHO C[C@@]([NH3+])(C(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000262858228 1433961835 /nfs/dbraw/zinc/96/18/35/1433961835.db2.gz KWKGBXLFWAIZLW-QUCCMNQESA-N 1 3 391.437 3.270 20 0 GGADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000263168287 1433991506 /nfs/dbraw/zinc/99/15/06/1433991506.db2.gz FMEFWMPBRCHMGL-TZIWHRDSSA-N 1 3 393.959 3.207 20 0 GGADHO CCOc1c(OC)cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000263667981 1434017948 /nfs/dbraw/zinc/01/79/48/1434017948.db2.gz IZPZLMWDWNTLEY-CALCHBBNSA-N 1 3 380.529 3.082 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000263752331 1434029360 /nfs/dbraw/zinc/02/93/60/1434029360.db2.gz FTQQBLZYWLXITK-HSZRJFAPSA-N 1 3 398.595 3.352 20 0 GGADHO CC(C)N(Cc1ccccc1F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000264151830 1434075948 /nfs/dbraw/zinc/07/59/48/1434075948.db2.gz ZJICWFLYLNAWAV-UHFFFAOYSA-N 1 3 390.547 3.304 20 0 GGADHO Cc1ccccc1[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000264882173 1434161881 /nfs/dbraw/zinc/16/18/81/1434161881.db2.gz USGWPAJCVHFAPH-JOCHJYFZSA-N 1 3 384.568 3.304 20 0 GGADHO CCOc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1OCC ZINC000265647411 1434253331 /nfs/dbraw/zinc/25/33/31/1434253331.db2.gz WQLXJSRONRMGBU-UHFFFAOYSA-N 1 3 399.535 3.065 20 0 GGADHO COc1cc(OC)cc(Oc2ccc(C[NH2+]CC3(O)CCN(C)CC3)cc2)c1 ZINC000265832057 1434269889 /nfs/dbraw/zinc/26/98/89/1434269889.db2.gz DCJUAFNEQPPOLC-UHFFFAOYSA-N 1 3 386.492 3.042 20 0 GGADHO CN1CCC(O)(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000265842400 1434271464 /nfs/dbraw/zinc/27/14/64/1434271464.db2.gz GQWSESKJEXOIJQ-UHFFFAOYSA-N 1 3 390.531 3.145 20 0 GGADHO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000266284198 1434316397 /nfs/dbraw/zinc/31/63/97/1434316397.db2.gz BNGDIKBYQMGZSJ-HXUWFJFHSA-N 1 3 386.584 3.021 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000266708224 1434365854 /nfs/dbraw/zinc/36/58/54/1434365854.db2.gz HUGRFXMCISQEON-HXUWFJFHSA-N 1 3 390.959 3.355 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCc4c3cccc4F)c2)C1 ZINC000267078597 1434405944 /nfs/dbraw/zinc/40/59/44/1434405944.db2.gz UNPPQRIRBSDWRF-XMSQKQJNSA-N 1 3 381.495 3.300 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCc4c3cccc4F)c2)C1 ZINC000267078597 1434405946 /nfs/dbraw/zinc/40/59/46/1434405946.db2.gz UNPPQRIRBSDWRF-XMSQKQJNSA-N 1 3 381.495 3.300 20 0 GGADHO COc1cccc([C@@H](CNC(=O)c2sccc2CN(C)C)[NH+]2CCCC2)c1 ZINC000268049278 1434491041 /nfs/dbraw/zinc/49/10/41/1434491041.db2.gz UIKUQGMQBIKKEK-LJQANCHMSA-N 1 3 387.549 3.385 20 0 GGADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000268806404 1434559273 /nfs/dbraw/zinc/55/92/73/1434559273.db2.gz BYKMPVLOJWXLGF-QGZVFWFLSA-N 1 3 376.545 3.368 20 0 GGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000268805815 1434559305 /nfs/dbraw/zinc/55/93/05/1434559305.db2.gz HHPUMPYDGOGQPD-HSALFYBXSA-N 1 3 375.557 3.063 20 0 GGADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000268826560 1434561362 /nfs/dbraw/zinc/56/13/62/1434561362.db2.gz JBGBLYVXHCFWRR-WIYYLYMNSA-N 1 3 394.519 3.021 20 0 GGADHO C[C@H](NCc1cccc(C(=O)NC2CC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268840920 1434563203 /nfs/dbraw/zinc/56/32/03/1434563203.db2.gz QSAFNPLZNKDVKJ-KRWDZBQOSA-N 1 3 381.520 3.370 20 0 GGADHO C[C@H]1C[C@H](NCc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268839551 1434563349 /nfs/dbraw/zinc/56/33/49/1434563349.db2.gz QMSRHMPWNJLMAT-LAUBAEHRSA-N 1 3 387.549 3.201 20 0 GGADHO C[C@H]1C[C@H](NCc2ccc(NS(C)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268839551 1434563351 /nfs/dbraw/zinc/56/33/51/1434563351.db2.gz QMSRHMPWNJLMAT-LAUBAEHRSA-N 1 3 387.549 3.201 20 0 GGADHO C[C@H](NCc1ccnc(OC2CCOCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268859585 1434565257 /nfs/dbraw/zinc/56/52/57/1434565257.db2.gz FOJRUAIZUOIRAA-SFHVURJKSA-N 1 3 399.535 3.431 20 0 GGADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1cccc(N2CCOCC2)c1 ZINC000268862862 1434565642 /nfs/dbraw/zinc/56/56/42/1434565642.db2.gz CDMLUNCCQZPIAL-LJQANCHMSA-N 1 3 383.536 3.314 20 0 GGADHO COc1cccc2c1CC[C@@H]2NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268875029 1434566968 /nfs/dbraw/zinc/56/69/68/1434566968.db2.gz GTWFUXVZLQCRDP-UGKGYDQZSA-N 1 3 393.531 3.170 20 0 GGADHO COc1cccc2c1CC[C@@H]2NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268875029 1434566971 /nfs/dbraw/zinc/56/69/71/1434566971.db2.gz GTWFUXVZLQCRDP-UGKGYDQZSA-N 1 3 393.531 3.170 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268883566 1434567633 /nfs/dbraw/zinc/56/76/33/1434567633.db2.gz IMZZYYPGNYOAQV-XTQVGHSUSA-N 1 3 384.520 3.380 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268883566 1434567636 /nfs/dbraw/zinc/56/76/36/1434567636.db2.gz IMZZYYPGNYOAQV-XTQVGHSUSA-N 1 3 384.520 3.380 20 0 GGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc(N3CCOCC3)c2)[C@H](C)C1 ZINC000268881644 1434567650 /nfs/dbraw/zinc/56/76/50/1434567650.db2.gz HZQRUJGLAUILMO-QTEQDKRBSA-N 1 3 389.584 3.311 20 0 GGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc(N3CCOCC3)c2)[C@H](C)C1 ZINC000268881644 1434567652 /nfs/dbraw/zinc/56/76/52/1434567652.db2.gz HZQRUJGLAUILMO-QTEQDKRBSA-N 1 3 389.584 3.311 20 0 GGADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc(N3CCOCC3)c2)[C@@H](C)C1 ZINC000268881640 1434567665 /nfs/dbraw/zinc/56/76/65/1434567665.db2.gz HZQRUJGLAUILMO-MZKRTTBSSA-N 1 3 389.584 3.311 20 0 GGADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(N3CCOCC3)c2)[C@@H](C)C1 ZINC000268881640 1434567667 /nfs/dbraw/zinc/56/76/67/1434567667.db2.gz HZQRUJGLAUILMO-MZKRTTBSSA-N 1 3 389.584 3.311 20 0 GGADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000268979299 1434578191 /nfs/dbraw/zinc/57/81/91/1434578191.db2.gz KHHHYDZGZVCDRH-SFHVURJKSA-N 1 3 394.519 3.021 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000268985539 1434578782 /nfs/dbraw/zinc/57/87/82/1434578782.db2.gz FLQHKUNUAKABRD-MSOLQXFVSA-N 1 3 388.556 3.368 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000268985548 1434578892 /nfs/dbraw/zinc/57/88/92/1434578892.db2.gz FLQHKUNUAKABRD-ZWKOTPCHSA-N 1 3 388.556 3.368 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000269021809 1434582560 /nfs/dbraw/zinc/58/25/60/1434582560.db2.gz PTTURTQKPOLNEE-HNNXBMFYSA-N 1 3 375.513 3.027 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC2CC[NH+](C3CCC3)CC2)c(OC)c1 ZINC000269057781 1434586461 /nfs/dbraw/zinc/58/64/61/1434586461.db2.gz XEXRFHYLDDOZNX-OAHLLOKOSA-N 1 3 375.513 3.027 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269264511 1434614987 /nfs/dbraw/zinc/61/49/87/1434614987.db2.gz OOHOPEYCOHXUBQ-PGRDOPGGSA-N 1 3 380.536 3.412 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000269620814 1434664332 /nfs/dbraw/zinc/66/43/32/1434664332.db2.gz PWUNTRZRRYACGO-SFHVURJKSA-N 1 3 387.572 3.171 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2)CC1 ZINC000270271229 1434718477 /nfs/dbraw/zinc/71/84/77/1434718477.db2.gz TZGWTPIFSLOPPV-JOCHJYFZSA-N 1 3 398.595 3.021 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3CCC(F)(F)F)CC2)CC1 ZINC000270349168 1434725264 /nfs/dbraw/zinc/72/52/64/1434725264.db2.gz NSAPKHFVYZDALU-UHFFFAOYSA-N 1 3 397.485 3.470 20 0 GGADHO CC[C@H]1C[N@H+](CCCn2ccnc2C)[C@@H](CC)CN1CCCn1ccnc1C ZINC000270697004 1434763186 /nfs/dbraw/zinc/76/31/86/1434763186.db2.gz XGVCGCBZWRKTMR-VXKWHMMOSA-N 1 3 386.588 3.352 20 0 GGADHO CC[C@H]1C[N@@H+](CCCn2ccnc2C)[C@@H](CC)CN1CCCn1ccnc1C ZINC000270697004 1434763192 /nfs/dbraw/zinc/76/31/92/1434763192.db2.gz XGVCGCBZWRKTMR-VXKWHMMOSA-N 1 3 386.588 3.352 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000270932979 1434789126 /nfs/dbraw/zinc/78/91/26/1434789126.db2.gz LXSXATWPGILFIE-LJQANCHMSA-N 1 3 386.584 3.019 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@@H](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000270932976 1434789262 /nfs/dbraw/zinc/78/92/62/1434789262.db2.gz LXSXATWPGILFIE-IBGZPJMESA-N 1 3 386.584 3.019 20 0 GGADHO COC(=O)COc1cccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000271411530 1434822795 /nfs/dbraw/zinc/82/27/95/1434822795.db2.gz AEQJKVBEFQHBQA-KRWDZBQOSA-N 1 3 386.492 3.030 20 0 GGADHO CC[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000271483758 1434828635 /nfs/dbraw/zinc/82/86/35/1434828635.db2.gz KTCZCQHARSKARC-HXUWFJFHSA-N 1 3 399.535 3.236 20 0 GGADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1OC(F)F ZINC000271537327 1434833020 /nfs/dbraw/zinc/83/30/20/1434833020.db2.gz SCRCHKFLAIRGNH-JQFCIGGWSA-N 1 3 384.467 3.325 20 0 GGADHO C[C@@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272307454 1434885943 /nfs/dbraw/zinc/88/59/43/1434885943.db2.gz IBIIUPNVMYUCCE-WAOWUJCRSA-N 1 3 376.508 3.224 20 0 GGADHO C[C@@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272307454 1434885946 /nfs/dbraw/zinc/88/59/46/1434885946.db2.gz IBIIUPNVMYUCCE-WAOWUJCRSA-N 1 3 376.508 3.224 20 0 GGADHO COc1c(O)cccc1CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000272332603 1434887767 /nfs/dbraw/zinc/88/77/67/1434887767.db2.gz WVMCOPNOTJSPLF-JOCHJYFZSA-N 1 3 384.520 3.278 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272341708 1434888516 /nfs/dbraw/zinc/88/85/16/1434888516.db2.gz BWTFKUSJKVNJHX-FPOVZHCZSA-N 1 3 398.551 3.263 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272341708 1434888517 /nfs/dbraw/zinc/88/85/17/1434888517.db2.gz BWTFKUSJKVNJHX-FPOVZHCZSA-N 1 3 398.551 3.263 20 0 GGADHO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272553215 1434907023 /nfs/dbraw/zinc/90/70/23/1434907023.db2.gz SWTQIEULIJWCBK-SFGWALBWSA-N 1 3 384.520 3.237 20 0 GGADHO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000273000291 1434948656 /nfs/dbraw/zinc/94/86/56/1434948656.db2.gz RDGMFJMIANUKDP-UZLBHIALSA-N 1 3 395.469 3.208 20 0 GGADHO C[C@@H](NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000273000291 1434948660 /nfs/dbraw/zinc/94/86/60/1434948660.db2.gz RDGMFJMIANUKDP-UZLBHIALSA-N 1 3 395.469 3.208 20 0 GGADHO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274741650 1435088951 /nfs/dbraw/zinc/08/89/51/1435088951.db2.gz FIXLQNALLOWVGG-IEIRFRATSA-N 1 3 392.547 3.073 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)c2)CC1 ZINC000274798040 1435093421 /nfs/dbraw/zinc/09/34/21/1435093421.db2.gz JKIGBURUKGCXPQ-UHFFFAOYSA-N 1 3 399.583 3.311 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@H](C)C3CC[NH+](C)CC3)c2)CC1 ZINC000274840649 1435097304 /nfs/dbraw/zinc/09/73/04/1435097304.db2.gz UBSAJBUPUQIMPO-GOSISDBHSA-N 1 3 387.572 3.023 20 0 GGADHO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000274876859 1435100225 /nfs/dbraw/zinc/10/02/25/1435100225.db2.gz YUEGSUJKXRIIHS-HTAPYJJXSA-N 1 3 394.519 3.084 20 0 GGADHO C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274903687 1435102536 /nfs/dbraw/zinc/10/25/36/1435102536.db2.gz LSBYODIMVDCEFO-AVRDEDQJSA-N 1 3 386.561 3.231 20 0 GGADHO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCO1 ZINC000275399697 1435136604 /nfs/dbraw/zinc/13/66/04/1435136604.db2.gz CJSMYNBCYKSRNQ-GJTYKATRSA-N 1 3 380.536 3.140 20 0 GGADHO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000275532386 1435146257 /nfs/dbraw/zinc/14/62/57/1435146257.db2.gz LYUIFJZCXPHMQF-BTPPTMBQSA-N 1 3 394.563 3.481 20 0 GGADHO C[NH+](C)CCc1ccccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000275646569 1435155878 /nfs/dbraw/zinc/15/58/78/1435155878.db2.gz MJVDLZZJQUKJNJ-UHFFFAOYSA-N 1 3 390.597 3.274 20 0 GGADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000275665500 1435158016 /nfs/dbraw/zinc/15/80/16/1435158016.db2.gz BUUCGQFGDDSTSX-SJBKTWHCSA-N 1 3 385.556 3.197 20 0 GGADHO CSc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000275788279 1435169410 /nfs/dbraw/zinc/16/94/10/1435169410.db2.gz SCHMIPYUYGTNMM-UHFFFAOYSA-N 1 3 376.570 3.397 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N(C)Cc2ccccc2C)[C@H](C)C1 ZINC000276286941 1435202334 /nfs/dbraw/zinc/20/23/34/1435202334.db2.gz VBPUUWHMQBJGQP-SJBKTWHCSA-N 1 3 389.584 3.069 20 0 GGADHO CN(C)CCN(Cc1cccs1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276291564 1435202650 /nfs/dbraw/zinc/20/26/50/1435202650.db2.gz OPUNJMMAQHDVNX-UHFFFAOYSA-N 1 3 388.581 3.126 20 0 GGADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000276355956 1435206693 /nfs/dbraw/zinc/20/66/93/1435206693.db2.gz IAOYHASGZODKNU-OAQYLSRUSA-N 1 3 389.588 3.057 20 0 GGADHO COCCN(C)c1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000276658641 1435223290 /nfs/dbraw/zinc/22/32/90/1435223290.db2.gz VPQGOWGAYKPNEF-DENIHFKCSA-N 1 3 382.552 3.164 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000276748717 1435229730 /nfs/dbraw/zinc/22/97/30/1435229730.db2.gz HIKGUZKWDLUXIL-MRXNPFEDSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000276748717 1435229732 /nfs/dbraw/zinc/22/97/32/1435229732.db2.gz HIKGUZKWDLUXIL-MRXNPFEDSA-N 1 3 377.529 3.133 20 0 GGADHO C[C@H](c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1)N1[C@H](C)CC[C@H]1C ZINC000276981626 1435249532 /nfs/dbraw/zinc/24/95/32/1435249532.db2.gz WBQXWBMHBQYGFU-BRWVUGGUSA-N 1 3 384.528 3.207 20 0 GGADHO C[C@H](c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1)N1[C@H](C)CC[C@H]1C ZINC000276981626 1435249534 /nfs/dbraw/zinc/24/95/34/1435249534.db2.gz WBQXWBMHBQYGFU-BRWVUGGUSA-N 1 3 384.528 3.207 20 0 GGADHO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000277145312 1435268511 /nfs/dbraw/zinc/26/85/11/1435268511.db2.gz PSBIKGHVWXOXFC-FQEVSTJZSA-N 1 3 390.597 3.226 20 0 GGADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000277364733 1435298877 /nfs/dbraw/zinc/29/88/77/1435298877.db2.gz UZOKOXUAUXVUAV-ICSRJNTNSA-N 1 3 397.485 3.384 20 0 GGADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000277364727 1435298911 /nfs/dbraw/zinc/29/89/11/1435298911.db2.gz UZOKOXUAUXVUAV-AZUAARDMSA-N 1 3 397.485 3.384 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H]([NH+](C)C)CC3)c(C)c2)CC1 ZINC000277407335 1435302472 /nfs/dbraw/zinc/30/24/72/1435302472.db2.gz FLWTUIZMQONDLH-IBGZPJMESA-N 1 3 387.572 3.085 20 0 GGADHO CC[NH+]1CCN(Cc2ccc(CN[C@H](C)c3cc(C(=O)OC)co3)cc2)CC1 ZINC000278350984 1435382813 /nfs/dbraw/zinc/38/28/13/1435382813.db2.gz ZAINCGSKAYQLBW-QGZVFWFLSA-N 1 3 385.508 3.055 20 0 GGADHO Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000278392825 1435386922 /nfs/dbraw/zinc/38/69/22/1435386922.db2.gz DWFVVDOYARYABK-PZJWPPBQSA-N 1 3 398.595 3.441 20 0 GGADHO Cc1ccc([C@H]2C[C@H](C)N(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000278392817 1435386937 /nfs/dbraw/zinc/38/69/37/1435386937.db2.gz DWFVVDOYARYABK-FPOVZHCZSA-N 1 3 398.595 3.441 20 0 GGADHO Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000278392832 1435386955 /nfs/dbraw/zinc/38/69/55/1435386955.db2.gz DWFVVDOYARYABK-TZIWHRDSSA-N 1 3 398.595 3.441 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278516130 1435396398 /nfs/dbraw/zinc/39/63/98/1435396398.db2.gz MLVHANQLINYVCT-ZWKOTPCHSA-N 1 3 376.545 3.368 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278516130 1435396400 /nfs/dbraw/zinc/39/64/00/1435396400.db2.gz MLVHANQLINYVCT-ZWKOTPCHSA-N 1 3 376.545 3.368 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278516117 1435396523 /nfs/dbraw/zinc/39/65/23/1435396523.db2.gz MLVHANQLINYVCT-MSOLQXFVSA-N 1 3 376.545 3.368 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278516117 1435396524 /nfs/dbraw/zinc/39/65/24/1435396524.db2.gz MLVHANQLINYVCT-MSOLQXFVSA-N 1 3 376.545 3.368 20 0 GGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000278643399 1435409276 /nfs/dbraw/zinc/40/92/76/1435409276.db2.gz JBZZMJAIWHYGRH-UHFFFAOYSA-N 1 3 384.568 3.167 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3c[nH]cc3-c3ccccc3F)CC2)CC1 ZINC000278682016 1435413713 /nfs/dbraw/zinc/41/37/13/1435413713.db2.gz NZNRNSZREUBYHF-UHFFFAOYSA-N 1 3 384.499 3.109 20 0 GGADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1c[nH]c2ccccc21 ZINC000278832660 1435428298 /nfs/dbraw/zinc/42/82/98/1435428298.db2.gz YXKMAYNNXDCZOT-KRWDZBQOSA-N 1 3 382.552 3.336 20 0 GGADHO CCCN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000279104958 1435460708 /nfs/dbraw/zinc/46/07/08/1435460708.db2.gz XRIXHNPNOULYBH-PMACEKPBSA-N 1 3 395.551 3.003 20 0 GGADHO CCCN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000279104961 1435460947 /nfs/dbraw/zinc/46/09/47/1435460947.db2.gz XRIXHNPNOULYBH-WOJBJXKFSA-N 1 3 395.551 3.003 20 0 GGADHO CC(C)N1CCN(C2CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000279794467 1435544208 /nfs/dbraw/zinc/54/42/08/1435544208.db2.gz VRONEFUVYRGAKJ-RUZDIDTESA-N 1 3 395.591 3.234 20 0 GGADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000279922534 1435563497 /nfs/dbraw/zinc/56/34/97/1435563497.db2.gz FWVBJSAZKVZFJI-OYRHEFFESA-N 1 3 378.520 3.344 20 0 GGADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000279922534 1435563502 /nfs/dbraw/zinc/56/35/02/1435563502.db2.gz FWVBJSAZKVZFJI-OYRHEFFESA-N 1 3 378.520 3.344 20 0 GGADHO C[NH+](C)CCOc1cccc(CNCc2ccc(Cl)cc2-n2cncn2)c1 ZINC000279996934 1435574032 /nfs/dbraw/zinc/57/40/32/1435574032.db2.gz RMXCZBILWGOWOM-UHFFFAOYSA-N 1 3 385.899 3.151 20 0 GGADHO COc1cc2c(cc1OC)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000280024228 1435578296 /nfs/dbraw/zinc/57/82/96/1435578296.db2.gz HOYZUWAVNVYJKU-CTNGQTDRSA-N 1 3 382.504 3.048 20 0 GGADHO COc1cc2c(cc1OC)[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000280024228 1435578301 /nfs/dbraw/zinc/57/83/01/1435578301.db2.gz HOYZUWAVNVYJKU-CTNGQTDRSA-N 1 3 382.504 3.048 20 0 GGADHO COc1cc2c(cc1OC)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC2 ZINC000280024230 1435578369 /nfs/dbraw/zinc/57/83/69/1435578369.db2.gz HOYZUWAVNVYJKU-FPOVZHCZSA-N 1 3 382.504 3.048 20 0 GGADHO COc1cc2c(cc1OC)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000280024230 1435578380 /nfs/dbraw/zinc/57/83/80/1435578380.db2.gz HOYZUWAVNVYJKU-FPOVZHCZSA-N 1 3 382.504 3.048 20 0 GGADHO CN(c1ccccc1)c1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000280542978 1435676833 /nfs/dbraw/zinc/67/68/33/1435676833.db2.gz DBDHXBCVGCWWOV-YADHBBJMSA-N 1 3 380.536 3.317 20 0 GGADHO Cc1ccc([C@H]2CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)c(C)c1 ZINC000280570920 1435681343 /nfs/dbraw/zinc/68/13/43/1435681343.db2.gz CJPQWRZYXTWDOT-FQEVSTJZSA-N 1 3 398.595 3.361 20 0 GGADHO CSc1ccccc1CN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000280957378 1435747670 /nfs/dbraw/zinc/74/76/70/1435747670.db2.gz XYURDXNXDRTRHN-UHFFFAOYSA-N 1 3 390.597 3.109 20 0 GGADHO CC(C)[NH+]1CCN(CCCN[C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000282051036 1435832645 /nfs/dbraw/zinc/83/26/45/1435832645.db2.gz LZUXVYAPTCISRL-INIZCTEOSA-N 1 3 379.499 3.498 20 0 GGADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000283320084 1435884252 /nfs/dbraw/zinc/88/42/52/1435884252.db2.gz OQRBHNNLEYGGCX-YADHBBJMSA-N 1 3 377.548 3.394 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000283320084 1435884253 /nfs/dbraw/zinc/88/42/53/1435884253.db2.gz OQRBHNNLEYGGCX-YADHBBJMSA-N 1 3 377.548 3.394 20 0 GGADHO C[NH+]1CCC(Oc2ccc(CNCc3c[nH]nc3-c3cccnc3)cc2)CC1 ZINC000283822173 1435930587 /nfs/dbraw/zinc/93/05/87/1435930587.db2.gz CXXHZQNWEZFMRE-UHFFFAOYSA-N 1 3 377.492 3.235 20 0 GGADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC2(CCOCC2)CC1 ZINC000283969441 1435963855 /nfs/dbraw/zinc/96/38/55/1435963855.db2.gz CICKDCFTNDPCFA-FQEVSTJZSA-N 1 3 399.579 3.048 20 0 GGADHO c1ccc(CN2CCCO[C@H](C[N@@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)C2)cc1 ZINC000284104647 1435990618 /nfs/dbraw/zinc/99/06/18/1435990618.db2.gz MSIQCXNVTXSKLY-YFNKSVMNSA-N 1 3 383.580 3.226 20 0 GGADHO c1ccc(CN2CCCO[C@H](C[N@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)C2)cc1 ZINC000284104647 1435990627 /nfs/dbraw/zinc/99/06/27/1435990627.db2.gz MSIQCXNVTXSKLY-YFNKSVMNSA-N 1 3 383.580 3.226 20 0 GGADHO CN(C)Cc1ccnc(N(c2cccc(F)c2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164647270 719297173 /nfs/dbraw/zinc/29/71/73/719297173.db2.gz DGVDWSBEXOWXHZ-IFMALSPDSA-N 1 3 384.499 3.332 20 0 GGADHO CN(C)c1cccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842761 720665788 /nfs/dbraw/zinc/66/57/88/720665788.db2.gz UBKWJGZKKPTAFG-FQEVSTJZSA-N 1 3 380.536 3.408 20 0 GGADHO CN(C)c1cccc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842761 720665795 /nfs/dbraw/zinc/66/57/95/720665795.db2.gz UBKWJGZKKPTAFG-FQEVSTJZSA-N 1 3 380.536 3.408 20 0 GGADHO CN(C)Cc1ccnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164840954 720720961 /nfs/dbraw/zinc/72/09/61/720720961.db2.gz SXSFIBYPYRJMJY-JOCHJYFZSA-N 1 3 394.563 3.403 20 0 GGADHO CN(C)Cc1ccnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164840954 720720972 /nfs/dbraw/zinc/72/09/72/720720972.db2.gz SXSFIBYPYRJMJY-JOCHJYFZSA-N 1 3 394.563 3.403 20 0 GGADHO CC(C)N(C)Cc1cnc2n1CCN(c1ccc(C[N@H+](C)C3CC3)cn1)[C@H]2C ZINC001164863792 721009052 /nfs/dbraw/zinc/00/90/52/721009052.db2.gz VCROFBVEMDPGHR-KRWDZBQOSA-N 1 3 382.556 3.294 20 0 GGADHO CC(C)N(C)Cc1cnc2n1CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)[C@H]2C ZINC001164863792 721009060 /nfs/dbraw/zinc/00/90/60/721009060.db2.gz VCROFBVEMDPGHR-KRWDZBQOSA-N 1 3 382.556 3.294 20 0 GGADHO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(C)c(C)c[nH+]3)C2)C1 ZINC001164783080 721368424 /nfs/dbraw/zinc/36/84/24/721368424.db2.gz PECYRJKEFNAFCO-QFIPXVFZSA-N 1 3 384.524 3.422 20 0 GGADHO Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CCN3C2)c1 ZINC001164906769 721544480 /nfs/dbraw/zinc/54/44/80/721544480.db2.gz LHOVFLXVXYIMRQ-CTNGQTDRSA-N 1 3 382.483 3.163 20 0 GGADHO CN(Cc1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)C1CC1 ZINC001164908718 721557881 /nfs/dbraw/zinc/55/78/81/721557881.db2.gz RTIWCLSPQQSVHJ-RBBKRZOGSA-N 1 3 396.510 3.157 20 0 GGADHO CN(Cc1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)C1CC1 ZINC001164908718 721557884 /nfs/dbraw/zinc/55/78/84/721557884.db2.gz RTIWCLSPQQSVHJ-RBBKRZOGSA-N 1 3 396.510 3.157 20 0 GGADHO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncccc4CN4CCCC4)CC[N@@H+]3C2)c1 ZINC001164906427 721565051 /nfs/dbraw/zinc/56/50/51/721565051.db2.gz IZZBNKQOBLGPQE-UNMCSNQZSA-N 1 3 396.510 3.158 20 0 GGADHO Fc1cccc(O[C@H]2C[C@H]3CN(c4ncccc4CN4CCCC4)CC[N@H+]3C2)c1 ZINC001164906427 721565058 /nfs/dbraw/zinc/56/50/58/721565058.db2.gz IZZBNKQOBLGPQE-UNMCSNQZSA-N 1 3 396.510 3.158 20 0 GGADHO CN(Cc1ccc(-n2nc(-c3ccc(F)cc3)c3c2CC[NH2+]CC3)nc1)C1CC1 ZINC001164796092 721597321 /nfs/dbraw/zinc/59/73/21/721597321.db2.gz BRACNMDKWVXZSY-UHFFFAOYSA-N 1 3 391.494 3.356 20 0 GGADHO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(N2CCCC2)cc2ccccc21 ZINC001164933267 721881725 /nfs/dbraw/zinc/88/17/25/721881725.db2.gz LIVZLIWRWHQZAZ-NHCUHLMSSA-N 1 3 379.552 3.050 20 0 GGADHO C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824577536 946822836 /nfs/dbraw/zinc/82/28/36/946822836.db2.gz MGDFUBLDZLUOTL-OAHLLOKOSA-N 1 3 382.537 3.491 20 0 GGADHO C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824577536 946822848 /nfs/dbraw/zinc/82/28/48/946822848.db2.gz MGDFUBLDZLUOTL-OAHLLOKOSA-N 1 3 382.537 3.491 20 0 GGADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOc2ccccc2-c2nnn[n-]2)CC1 ZINC001576163961 949546151 /nfs/dbraw/zinc/54/61/51/949546151.db2.gz DPBRWZRWQYPMKL-SFHVURJKSA-N 1 3 398.555 3.222 20 0 GGADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCOc2ccccc2-c2nnn[n-]2)CC1 ZINC001576163961 949546165 /nfs/dbraw/zinc/54/61/65/949546165.db2.gz DPBRWZRWQYPMKL-SFHVURJKSA-N 1 3 398.555 3.222 20 0 GGADHO C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC001576163961 949546183 /nfs/dbraw/zinc/54/61/83/949546183.db2.gz DPBRWZRWQYPMKL-SFHVURJKSA-N 1 3 398.555 3.222 20 0 GGADHO C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC001576163961 949546207 /nfs/dbraw/zinc/54/62/07/949546207.db2.gz DPBRWZRWQYPMKL-SFHVURJKSA-N 1 3 398.555 3.222 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119425944 564270278 /nfs/dbraw/zinc/27/02/78/564270278.db2.gz FVZNLLPLOJHXDD-UONOGXRCSA-N 1 3 380.330 3.240 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000119425944 564270279 /nfs/dbraw/zinc/27/02/79/564270279.db2.gz FVZNLLPLOJHXDD-UONOGXRCSA-N 1 3 380.330 3.240 20 0 GGADHO Cc1cc(Br)cc(C)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119891828 564293477 /nfs/dbraw/zinc/29/34/77/564293477.db2.gz SNDONSOKBDTGTK-UHFFFAOYSA-N 1 3 385.350 3.023 20 0 GGADHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000123602252 564454320 /nfs/dbraw/zinc/45/43/20/564454320.db2.gz ZDSQRTMCGNLLOS-SFHVURJKSA-N 1 3 399.373 3.243 20 0 GGADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000047977531 564529817 /nfs/dbraw/zinc/52/98/17/564529817.db2.gz ITUCSEKQZIJTJC-SFHVURJKSA-N 1 3 399.373 3.243 20 0 GGADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000047977533 564529967 /nfs/dbraw/zinc/52/99/67/564529967.db2.gz ITUCSEKQZIJTJC-GOSISDBHSA-N 1 3 399.373 3.243 20 0 GGADHO Cc1cc(Br)cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000126541599 564552597 /nfs/dbraw/zinc/55/25/97/564552597.db2.gz QGYPEARZCPZQQL-UHFFFAOYSA-N 1 3 394.357 3.046 20 0 GGADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000128122772 564607253 /nfs/dbraw/zinc/60/72/53/564607253.db2.gz KCTLDZCRPYJNPM-YOEHRIQHSA-N 1 3 381.973 3.444 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1Br ZINC000128236295 564611476 /nfs/dbraw/zinc/61/14/76/564611476.db2.gz GOXNRJVYUVXSAR-OAHLLOKOSA-N 1 3 384.362 3.136 20 0 GGADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000056523011 564649924 /nfs/dbraw/zinc/64/99/24/564649924.db2.gz BKESWDDFUPZQHS-INIZCTEOSA-N 1 3 375.340 3.397 20 0 GGADHO O=C(NCC[NH2+]C1CCN(C2CCCC2)CC1)c1ccc(Br)cc1 ZINC000130161554 564671851 /nfs/dbraw/zinc/67/18/51/564671851.db2.gz GJVGRTTZXVVRMR-UHFFFAOYSA-N 1 3 394.357 3.176 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1Br ZINC000132970817 564759208 /nfs/dbraw/zinc/75/92/08/564759208.db2.gz DARCDEOLLCMKGN-UHFFFAOYSA-N 1 3 391.741 3.060 20 0 GGADHO OC[C@H]1CCC[N@@H+]1CCCCN[C@@H]1CCc2c1c(Br)ccc2F ZINC000134392471 564802309 /nfs/dbraw/zinc/80/23/09/564802309.db2.gz HQGANOXLTQRRKS-CXAGYDPISA-N 1 3 385.321 3.402 20 0 GGADHO OC[C@H]1CCC[N@H+]1CCCCN[C@@H]1CCc2c1c(Br)ccc2F ZINC000134392471 564802313 /nfs/dbraw/zinc/80/23/13/564802313.db2.gz HQGANOXLTQRRKS-CXAGYDPISA-N 1 3 385.321 3.402 20 0 GGADHO C[NH+](C)C1CCN(CCN[C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134429482 564802823 /nfs/dbraw/zinc/80/28/23/564802823.db2.gz SONKIIASFDGACF-KRWDZBQOSA-N 1 3 384.337 3.191 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(Cl)c1Cl ZINC000077835959 564862829 /nfs/dbraw/zinc/86/28/29/564862829.db2.gz LPYJMILSBCEPCS-ZDUSSCGKSA-N 1 3 375.344 3.189 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1Br ZINC000150946920 564898025 /nfs/dbraw/zinc/89/80/25/564898025.db2.gz DMIAUQDHNZJQCK-CQSZACIVSA-N 1 3 384.362 3.134 20 0 GGADHO Cc1ccc(Br)c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000151175965 564909321 /nfs/dbraw/zinc/90/93/21/564909321.db2.gz RRPSLQHMXBFISG-UHFFFAOYSA-N 1 3 394.357 3.046 20 0 GGADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000152207219 564951104 /nfs/dbraw/zinc/95/11/04/564951104.db2.gz LOQBXOBMEMJLMA-KGLIPLIRSA-N 1 3 379.492 3.431 20 0 GGADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000152207219 564951108 /nfs/dbraw/zinc/95/11/08/564951108.db2.gz LOQBXOBMEMJLMA-KGLIPLIRSA-N 1 3 379.492 3.431 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152372809 564957355 /nfs/dbraw/zinc/95/73/55/564957355.db2.gz XRCCCVLKYREBGJ-KGLIPLIRSA-N 1 3 380.330 3.240 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152372809 564957356 /nfs/dbraw/zinc/95/73/56/564957356.db2.gz XRCCCVLKYREBGJ-KGLIPLIRSA-N 1 3 380.330 3.240 20 0 GGADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000154216084 565030331 /nfs/dbraw/zinc/03/03/31/565030331.db2.gz DTCBQTYDDOARPF-HNNXBMFYSA-N 1 3 384.362 3.136 20 0 GGADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000154237741 565031191 /nfs/dbraw/zinc/03/11/91/565031191.db2.gz KRSPBDJNFKOXGD-GOSISDBHSA-N 1 3 384.337 3.193 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000155708440 565070724 /nfs/dbraw/zinc/07/07/24/565070724.db2.gz ZRDXYYDBVKUFON-CRAIPNDOSA-N 1 3 396.373 3.278 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000155708336 565070748 /nfs/dbraw/zinc/07/07/48/565070748.db2.gz ZRDXYYDBVKUFON-MAUKXSAKSA-N 1 3 396.373 3.278 20 0 GGADHO CCN(CCOCC[N@H+](CC)CCc1nccs1)CCc1nccs1 ZINC000269967828 565204744 /nfs/dbraw/zinc/20/47/44/565204744.db2.gz VBVLSIVOOBVXNC-UHFFFAOYSA-N 1 3 382.599 3.045 20 0 GGADHO CCN(CCOCC[N@@H+](CC)CCc1nccs1)CCc1nccs1 ZINC000269967828 565204749 /nfs/dbraw/zinc/20/47/49/565204749.db2.gz VBVLSIVOOBVXNC-UHFFFAOYSA-N 1 3 382.599 3.045 20 0 GGADHO CN1CCC(O)(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000270266925 565213873 /nfs/dbraw/zinc/21/38/73/565213873.db2.gz QKYSUCLSAUEJBV-UHFFFAOYSA-N 1 3 381.236 3.014 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295102026 565244462 /nfs/dbraw/zinc/24/44/62/565244462.db2.gz VBILTLWYCJNHOF-RJCAOGMDSA-N 1 3 380.330 3.381 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295102026 565244467 /nfs/dbraw/zinc/24/44/67/565244467.db2.gz VBILTLWYCJNHOF-RJCAOGMDSA-N 1 3 380.330 3.381 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295102023 565244725 /nfs/dbraw/zinc/24/47/25/565244725.db2.gz VBILTLWYCJNHOF-FCLXEUQJSA-N 1 3 380.330 3.381 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295102023 565244729 /nfs/dbraw/zinc/24/47/29/565244729.db2.gz VBILTLWYCJNHOF-FCLXEUQJSA-N 1 3 380.330 3.381 20 0 GGADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Br)c3cccnc23)CC1 ZINC000272145393 565278653 /nfs/dbraw/zinc/27/86/53/565278653.db2.gz CBVIAEBLVNPGBK-UHFFFAOYSA-N 1 3 392.341 3.322 20 0 GGADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1Br ZINC000161755725 565293323 /nfs/dbraw/zinc/29/33/23/565293323.db2.gz CQHWMEIMTPDAQO-UHFFFAOYSA-N 1 3 394.357 3.046 20 0 GGADHO COc1c(Br)cccc1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000187168792 565314443 /nfs/dbraw/zinc/31/44/43/565314443.db2.gz ORAFDTXQOHUQLJ-GASCZTMLSA-N 1 3 385.346 3.437 20 0 GGADHO Cc1cc(Br)cn2cc(CCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)nc12 ZINC000273442467 565321113 /nfs/dbraw/zinc/32/11/13/565321113.db2.gz NAHZSPBROKDHST-RDJZCZTQSA-N 1 3 377.330 3.164 20 0 GGADHO Cc1cc(Br)cn2cc(CCN[C@H]3CC[N@H+]4CCC[C@H]4C3)nc12 ZINC000273442467 565321117 /nfs/dbraw/zinc/32/11/17/565321117.db2.gz NAHZSPBROKDHST-RDJZCZTQSA-N 1 3 377.330 3.164 20 0 GGADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc12 ZINC000273442469 565321363 /nfs/dbraw/zinc/32/13/63/565321363.db2.gz NAHZSPBROKDHST-WBVHZDCISA-N 1 3 377.330 3.164 20 0 GGADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)nc12 ZINC000273442469 565321366 /nfs/dbraw/zinc/32/13/66/565321366.db2.gz NAHZSPBROKDHST-WBVHZDCISA-N 1 3 377.330 3.164 20 0 GGADHO C[C@@H](Cn1cc(Br)cn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000162920353 565331686 /nfs/dbraw/zinc/33/16/86/565331686.db2.gz IPCZSDGLRKQNCZ-HNNXBMFYSA-N 1 3 377.330 3.420 20 0 GGADHO C[C@@H](Cn1cc(Br)cn1)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000165179442 565367964 /nfs/dbraw/zinc/36/79/64/565367964.db2.gz OLVOMHPSAUZSFU-HNNXBMFYSA-N 1 3 395.345 3.154 20 0 GGADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165315230 565369256 /nfs/dbraw/zinc/36/92/56/565369256.db2.gz QKOAQPCUPAATDB-WMZOPIPTSA-N 1 3 391.357 3.188 20 0 GGADHO C[C@@H](Cn1cc(Br)cn1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165315230 565369261 /nfs/dbraw/zinc/36/92/61/565369261.db2.gz QKOAQPCUPAATDB-WMZOPIPTSA-N 1 3 391.357 3.188 20 0 GGADHO C[C@@H](Cn1cc(Br)cn1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165315230 565369269 /nfs/dbraw/zinc/36/92/69/565369269.db2.gz QKOAQPCUPAATDB-WMZOPIPTSA-N 1 3 391.357 3.188 20 0 GGADHO Brc1ccc(N2CC[C@@H](CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166333869 565374146 /nfs/dbraw/zinc/37/41/46/565374146.db2.gz NZPTXHHXXSSNBG-KVSKMBFKSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1ccc(N2CC[C@@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166333869 565374151 /nfs/dbraw/zinc/37/41/51/565374151.db2.gz NZPTXHHXXSSNBG-KVSKMBFKSA-N 1 3 378.358 3.492 20 0 GGADHO Brc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCN4CCC[C@@H]4C3)C2)cc1 ZINC000166333869 565374153 /nfs/dbraw/zinc/37/41/53/565374153.db2.gz NZPTXHHXXSSNBG-KVSKMBFKSA-N 1 3 378.358 3.492 20 0 GGADHO CCN1CCN(CCCC[NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188121620 565381639 /nfs/dbraw/zinc/38/16/39/565381639.db2.gz QYTZBCROQTUWNM-QGZVFWFLSA-N 1 3 382.390 3.387 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3nc4ccsc4s3)CC2)CC1 ZINC000275790589 565427129 /nfs/dbraw/zinc/42/71/29/565427129.db2.gz SIPLHLHQEGYYRZ-UHFFFAOYSA-N 1 3 379.555 3.038 20 0 GGADHO C[NH+](C)CCNC(=O)C1CCN(Cc2sc3ccccc3c2Cl)CC1 ZINC000171657533 565441860 /nfs/dbraw/zinc/44/18/60/565441860.db2.gz HTIAUTZWDCJVPM-UHFFFAOYSA-N 1 3 379.957 3.445 20 0 GGADHO CN(Cc1csc(-c2cccs2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376800176 565455699 /nfs/dbraw/zinc/45/56/99/565455699.db2.gz XLXUHZCLMAVFBW-QGZVFWFLSA-N 1 3 376.595 3.472 20 0 GGADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000277070895 565474821 /nfs/dbraw/zinc/47/48/21/565474821.db2.gz DRFCFHNVXINCCQ-CQSZACIVSA-N 1 3 386.309 3.333 20 0 GGADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000277070895 565474824 /nfs/dbraw/zinc/47/48/24/565474824.db2.gz DRFCFHNVXINCCQ-CQSZACIVSA-N 1 3 386.309 3.333 20 0 GGADHO CC[NH+]1CCN(Cc2ccccc2CNCc2ccc(Br)o2)CC1 ZINC000190778368 565558588 /nfs/dbraw/zinc/55/85/88/565558588.db2.gz LNRYOMSUMMBSBQ-UHFFFAOYSA-N 1 3 392.341 3.469 20 0 GGADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)CC1 ZINC000329281221 565661993 /nfs/dbraw/zinc/66/19/93/565661993.db2.gz ABEQALNCAPTJOI-KRWDZBQOSA-N 1 3 392.341 3.354 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000195341755 565876281 /nfs/dbraw/zinc/87/62/81/565876281.db2.gz WBUZOZRWDLZADN-UHFFFAOYSA-N 1 3 395.345 3.129 20 0 GGADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000414188749 565901978 /nfs/dbraw/zinc/90/19/78/565901978.db2.gz JFWCJADIGUKJAW-OAHLLOKOSA-N 1 3 386.367 3.441 20 0 GGADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(Cl)ccc1Cl ZINC000414204923 565902853 /nfs/dbraw/zinc/90/28/53/565902853.db2.gz WVGLSRSPPTZSQE-HNNXBMFYSA-N 1 3 386.367 3.441 20 0 GGADHO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)ccc1Br ZINC000414755710 565958835 /nfs/dbraw/zinc/95/88/35/565958835.db2.gz PLAVOQKAVGSLDK-QAPCUYQASA-N 1 3 394.357 3.092 20 0 GGADHO Cc1cc([C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)ccc1Br ZINC000414755710 565958838 /nfs/dbraw/zinc/95/88/38/565958838.db2.gz PLAVOQKAVGSLDK-QAPCUYQASA-N 1 3 394.357 3.092 20 0 GGADHO CC(C)C[N@@H+](Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414757429 565959248 /nfs/dbraw/zinc/95/92/48/565959248.db2.gz SPKFGEPRXILNOR-INIZCTEOSA-N 1 3 396.373 3.104 20 0 GGADHO CC(C)C[N@H+](Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414757429 565959251 /nfs/dbraw/zinc/95/92/51/565959251.db2.gz SPKFGEPRXILNOR-INIZCTEOSA-N 1 3 396.373 3.104 20 0 GGADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1ccc(Br)cc1)C[NH+]1CCCC1 ZINC000237440174 565960416 /nfs/dbraw/zinc/96/04/16/565960416.db2.gz SETJHUOHZALQOM-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)CN1CCCC1 ZINC000237440174 565960420 /nfs/dbraw/zinc/96/04/20/565960420.db2.gz SETJHUOHZALQOM-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO Fc1ccc(I)c(F)c1CNCC[C@H]1CCC[NH2+]C1 ZINC000414834178 565962053 /nfs/dbraw/zinc/96/20/53/565962053.db2.gz GYVFVMZGKKPXIE-SNVBAGLBSA-N 1 3 380.220 3.049 20 0 GGADHO CCC([NH3+])(CC)CNC1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414807239 565962186 /nfs/dbraw/zinc/96/21/86/565962186.db2.gz IUVIECVHDGAWDU-UHFFFAOYSA-N 1 3 396.373 3.469 20 0 GGADHO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@H]1CCCNC1 ZINC000414857081 565963907 /nfs/dbraw/zinc/96/39/07/565963907.db2.gz OUXIVDTVSUVJNB-CVEARBPZSA-N 1 3 380.374 3.391 20 0 GGADHO COc1c(Br)cc(Br)cc1CNCC[C@H]1CC[NH2+]C1 ZINC000414841677 565964297 /nfs/dbraw/zinc/96/42/97/565964297.db2.gz YMIUNEUREFZBLE-SNVBAGLBSA-N 1 3 392.135 3.309 20 0 GGADHO COc1c(Br)cc(Br)cc1CN[C@@H](C)CCC[NH3+] ZINC000415029021 565970848 /nfs/dbraw/zinc/97/08/48/565970848.db2.gz ZUMQHUSANDCQRE-VIFPVBQESA-N 1 3 380.124 3.437 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000414928523 565965455 /nfs/dbraw/zinc/96/54/55/565965455.db2.gz QDNLKGPAJLKOIL-DOTOQJQBSA-N 1 3 394.357 3.222 20 0 GGADHO Fc1ccc(I)c(F)c1CNCCC[C@H]1CCC[NH2+]1 ZINC000414972295 565966492 /nfs/dbraw/zinc/96/64/92/565966492.db2.gz XMLWCRIUPOYZTK-JTQLQIEISA-N 1 3 380.220 3.191 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC000414948819 565966778 /nfs/dbraw/zinc/96/67/78/565966778.db2.gz MOFIUWGDQIVYJU-RHSMWYFYSA-N 1 3 394.357 3.092 20 0 GGADHO Brc1ccc(-n2cc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)cn2)cc1 ZINC000415015088 565970567 /nfs/dbraw/zinc/97/05/67/565970567.db2.gz YEHKYFNFJZUXMV-ZWKOTPCHSA-N 1 3 375.314 3.113 20 0 GGADHO [NH3+]CC1(O)CCN(Cc2ccc(-c3ccccc3Br)cc2)CC1 ZINC000415141071 565975643 /nfs/dbraw/zinc/97/56/43/565975643.db2.gz MINVXPTXIWXUFO-UHFFFAOYSA-N 1 3 375.310 3.402 20 0 GGADHO [NH3+]CC1(O)CCN(Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000415141287 565976029 /nfs/dbraw/zinc/97/60/29/565976029.db2.gz MLZHENOBQZCSKQ-UHFFFAOYSA-N 1 3 381.339 3.463 20 0 GGADHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@@H]1CCc2c1c(Br)ccc2F ZINC000245550392 565995713 /nfs/dbraw/zinc/99/57/13/565995713.db2.gz HQGANOXLTQRRKS-SUMWQHHRSA-N 1 3 385.321 3.402 20 0 GGADHO OC[C@@H]1CCC[N@H+]1CCCCN[C@@H]1CCc2c1c(Br)ccc2F ZINC000245550392 565995719 /nfs/dbraw/zinc/99/57/19/565995719.db2.gz HQGANOXLTQRRKS-SUMWQHHRSA-N 1 3 385.321 3.402 20 0 GGADHO COc1ccc([C@@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000245877130 566009558 /nfs/dbraw/zinc/00/95/58/566009558.db2.gz KHBBQTFSQVANFI-CABCVRRESA-N 1 3 385.346 3.345 20 0 GGADHO COc1ccc([C@@H](C)NCCCC[N@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000245877130 566009562 /nfs/dbraw/zinc/00/95/62/566009562.db2.gz KHBBQTFSQVANFI-CABCVRRESA-N 1 3 385.346 3.345 20 0 GGADHO COc1ccc([C@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000245877136 566009582 /nfs/dbraw/zinc/00/95/82/566009582.db2.gz KHBBQTFSQVANFI-GJZGRUSLSA-N 1 3 385.346 3.345 20 0 GGADHO COc1ccc([C@H](C)NCCCC[N@H+]2CCC[C@H]2CO)c(Br)c1 ZINC000245877136 566009586 /nfs/dbraw/zinc/00/95/86/566009586.db2.gz KHBBQTFSQVANFI-GJZGRUSLSA-N 1 3 385.346 3.345 20 0 GGADHO CCN1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)[C@@H](C)C1 ZINC000246439538 566030262 /nfs/dbraw/zinc/03/02/62/566030262.db2.gz OLVWFLDYOPHTNZ-YJBOKZPZSA-N 1 3 396.373 3.106 20 0 GGADHO CC[N@@H+]1CC[C@@H](NCCC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000248217482 566074806 /nfs/dbraw/zinc/07/48/06/566074806.db2.gz ZWVMJQAVYRKUTI-MAUKXSAKSA-N 1 3 396.373 3.118 20 0 GGADHO CC[N@H+]1CC[C@@H](NCCC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000248217482 566074808 /nfs/dbraw/zinc/07/48/08/566074808.db2.gz ZWVMJQAVYRKUTI-MAUKXSAKSA-N 1 3 396.373 3.118 20 0 GGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000181459439 566142189 /nfs/dbraw/zinc/14/21/89/566142189.db2.gz IPTWOHIVEQJJFV-RKVPGOIHSA-N 1 3 396.373 3.104 20 0 GGADHO CCN1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)[C@H](C)C1 ZINC000181458017 566142250 /nfs/dbraw/zinc/14/22/50/566142250.db2.gz OLVWFLDYOPHTNZ-QAPCUYQASA-N 1 3 396.373 3.106 20 0 GGADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000261983718 566142926 /nfs/dbraw/zinc/14/29/26/566142926.db2.gz JEZRYQDQBZERLQ-HNNXBMFYSA-N 1 3 396.373 3.118 20 0 GGADHO Brc1ccc(-n2cc(CN3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000262137863 566146757 /nfs/dbraw/zinc/14/67/57/566146757.db2.gz YWDDMTDEHPWNIB-UHFFFAOYSA-N 1 3 375.314 3.210 20 0 GGADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCCN(C)CC2)c(Br)c1 ZINC000181704454 566159883 /nfs/dbraw/zinc/15/98/83/566159883.db2.gz LEMXZWGGWPZEBC-HNNXBMFYSA-N 1 3 384.362 3.136 20 0 GGADHO COc1ccc([C@H](C)NCCC[N@H+]2CCCN(C)CC2)c(Br)c1 ZINC000181704454 566159885 /nfs/dbraw/zinc/15/98/85/566159885.db2.gz LEMXZWGGWPZEBC-HNNXBMFYSA-N 1 3 384.362 3.136 20 0 GGADHO C[NH2+]CCCNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418278659 566207975 /nfs/dbraw/zinc/20/79/75/566207975.db2.gz MNCVIEXACKSINJ-UHFFFAOYSA-N 1 3 387.355 3.210 20 0 GGADHO C[C@@H](CCCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418690102 566219423 /nfs/dbraw/zinc/21/94/23/566219423.db2.gz GMYQRIYZZDADMN-HNNXBMFYSA-N 1 3 399.377 3.040 20 0 GGADHO CN(Cc1cnc(-c2cccs2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368050818 566228670 /nfs/dbraw/zinc/22/86/70/566228670.db2.gz IDXUMOOLWGITBK-MRXNPFEDSA-N 1 3 376.595 3.472 20 0 GGADHO CCCN1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000183355754 566245108 /nfs/dbraw/zinc/24/51/08/566245108.db2.gz WGZJIQBJMIQEAC-UHFFFAOYSA-N 1 3 396.373 3.250 20 0 GGADHO COc1ccc([C@@H](CN)C[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000420297084 566272221 /nfs/dbraw/zinc/27/22/21/566272221.db2.gz FIZOWTJCLNSMDM-HNNXBMFYSA-N 1 3 393.329 3.034 20 0 GGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000420372390 566274359 /nfs/dbraw/zinc/27/43/59/566274359.db2.gz FKBTVJUKYGWGJJ-MSOLQXFVSA-N 1 3 383.330 3.046 20 0 GGADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3cccc(Br)c3)CC2)C1 ZINC000420389988 566276921 /nfs/dbraw/zinc/27/69/21/566276921.db2.gz MWDLKRSPDONPCR-WMZOPIPTSA-N 1 3 383.330 3.046 20 0 GGADHO CN1CCN(CCCC[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000575737923 566280023 /nfs/dbraw/zinc/28/00/23/566280023.db2.gz HUNRDGRPTCAITO-UHFFFAOYSA-N 1 3 380.374 3.312 20 0 GGADHO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575869362 566293670 /nfs/dbraw/zinc/29/36/70/566293670.db2.gz SQKNBEIWMMFNNN-RBSFLKMASA-N 1 3 380.330 3.098 20 0 GGADHO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000575869361 566293765 /nfs/dbraw/zinc/29/37/65/566293765.db2.gz SQKNBEIWMMFNNN-QLFBSQMISA-N 1 3 380.330 3.098 20 0 GGADHO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000575869359 566294710 /nfs/dbraw/zinc/29/47/10/566294710.db2.gz SQKNBEIWMMFNNN-ILXRZTDVSA-N 1 3 380.330 3.098 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H](C)O1 ZINC000462537360 566319376 /nfs/dbraw/zinc/31/93/76/566319376.db2.gz VEPLRNVYYPYIBB-GASCZTMLSA-N 1 3 397.357 3.363 20 0 GGADHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000482874692 566339446 /nfs/dbraw/zinc/33/94/46/566339446.db2.gz JKJDYVBZWNFVPQ-SFHVURJKSA-N 1 3 396.373 3.433 20 0 GGADHO CN1CCCN(CCC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536157083 566354694 /nfs/dbraw/zinc/35/46/94/566354694.db2.gz CODTVCSRUREDRY-IBGZPJMESA-N 1 3 380.374 3.444 20 0 GGADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536180503 566356443 /nfs/dbraw/zinc/35/64/43/566356443.db2.gz XIQSEMLLZJXIBP-LJQANCHMSA-N 1 3 380.374 3.444 20 0 GGADHO CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(Cl)c(S(=O)(=O)[N-]C)c1 ZINC000421891843 566415407 /nfs/dbraw/zinc/41/54/07/566415407.db2.gz YWNATHMQFROFOV-DQPZFDDXSA-N 1 3 387.977 3.162 20 0 GGADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000447571057 566417068 /nfs/dbraw/zinc/41/70/68/566417068.db2.gz WWBKRSSQDAUZNW-GLJUWKHASA-N 1 3 377.330 3.453 20 0 GGADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000447571058 566417212 /nfs/dbraw/zinc/41/72/12/566417212.db2.gz WWBKRSSQDAUZNW-HBUWYVDXSA-N 1 3 377.330 3.453 20 0 GGADHO Cc1nn(-c2ccc(Br)cc2)cc1CNCC1=CC[N@H+](C)CC1 ZINC000537344803 566439535 /nfs/dbraw/zinc/43/95/35/566439535.db2.gz SMOISXSRBSIJRR-UHFFFAOYSA-N 1 3 375.314 3.295 20 0 GGADHO Cc1nn(-c2ccc(Br)cc2)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000537344803 566439542 /nfs/dbraw/zinc/43/95/42/566439542.db2.gz SMOISXSRBSIJRR-UHFFFAOYSA-N 1 3 375.314 3.295 20 0 GGADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000422637624 566460710 /nfs/dbraw/zinc/46/07/10/566460710.db2.gz PCNQSYUNNQDVLS-JHJVBQTASA-N 1 3 386.309 3.222 20 0 GGADHO O=C(NCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422859620 566462952 /nfs/dbraw/zinc/46/29/52/566462952.db2.gz KMUJAUXHHBOEOU-KURKYZTESA-N 1 3 394.357 3.079 20 0 GGADHO Brc1cccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422748361 566463505 /nfs/dbraw/zinc/46/35/05/566463505.db2.gz UFBDNXMTGXUKOU-RCCFBDPRSA-N 1 3 379.342 3.227 20 0 GGADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422875660 566464605 /nfs/dbraw/zinc/46/46/05/566464605.db2.gz FNMOBZGBVMGGMV-KZNAEPCWSA-N 1 3 381.358 3.473 20 0 GGADHO Brc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)cc1 ZINC000422878832 566464671 /nfs/dbraw/zinc/46/46/71/566464671.db2.gz KTWBHTOWSXBKOI-JWTNVVGKSA-N 1 3 379.342 3.370 20 0 GGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880869 566464762 /nfs/dbraw/zinc/46/47/62/566464762.db2.gz PDMITSYPORHSNZ-JCKWVBRZSA-N 1 3 387.351 3.384 20 0 GGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880869 566464765 /nfs/dbraw/zinc/46/47/65/566464765.db2.gz PDMITSYPORHSNZ-JCKWVBRZSA-N 1 3 387.351 3.384 20 0 GGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422895424 566464954 /nfs/dbraw/zinc/46/49/54/566464954.db2.gz VYYZYIXCBBKROJ-BEFAXECRSA-N 1 3 380.374 3.391 20 0 GGADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422875659 566465517 /nfs/dbraw/zinc/46/55/17/566465517.db2.gz FNMOBZGBVMGGMV-FGTMMUONSA-N 1 3 381.358 3.473 20 0 GGADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422875928 566465553 /nfs/dbraw/zinc/46/55/53/566465553.db2.gz DNVVUSDHQSJFCH-KZNAEPCWSA-N 1 3 381.358 3.473 20 0 GGADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000422875927 566465749 /nfs/dbraw/zinc/46/57/49/566465749.db2.gz DNVVUSDHQSJFCH-FGTMMUONSA-N 1 3 381.358 3.473 20 0 GGADHO O=C(NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422876898 566465785 /nfs/dbraw/zinc/46/57/85/566465785.db2.gz GQCXBGUIADJUOA-RCCFBDPRSA-N 1 3 394.357 3.079 20 0 GGADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)COc1ccccc1Br ZINC000422945590 566466333 /nfs/dbraw/zinc/46/63/33/566466333.db2.gz VBSRSQYLHZXQIS-CYGHRXIMSA-N 1 3 397.357 3.089 20 0 GGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423033919 566468347 /nfs/dbraw/zinc/46/83/47/566468347.db2.gz PDKWZFYRLXUHCA-BKTGTZMESA-N 1 3 386.367 3.300 20 0 GGADHO Clc1ccc(Br)c(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423002048 566468472 /nfs/dbraw/zinc/46/84/72/566468472.db2.gz YFBGWFKZOXQIGA-DJIMGWMZSA-N 1 3 387.749 3.392 20 0 GGADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1Br ZINC000422991787 566469708 /nfs/dbraw/zinc/46/97/08/566469708.db2.gz BQWUMWSEWBSRTI-ZTFGCOKTSA-N 1 3 381.358 3.473 20 0 GGADHO CC(C)(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Br ZINC000422991785 566469881 /nfs/dbraw/zinc/46/98/81/566469881.db2.gz BQWUMWSEWBSRTI-FHLIZLRMSA-N 1 3 381.358 3.473 20 0 GGADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)nc12 ZINC000423040267 566471399 /nfs/dbraw/zinc/47/13/99/566471399.db2.gz SWPOLSVGSGEATM-KSZLIROESA-N 1 3 391.357 3.458 20 0 GGADHO COc1ccc(Br)c(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650707416 566471991 /nfs/dbraw/zinc/47/19/91/566471991.db2.gz FJRAPMKSKWXUNO-JOQOYGCGSA-N 1 3 383.330 3.176 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000423073502 566472448 /nfs/dbraw/zinc/47/24/48/566472448.db2.gz IUJAJMQOEXOKEJ-GDAAHCPNSA-N 1 3 381.358 3.110 20 0 GGADHO Clc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000423074140 566472663 /nfs/dbraw/zinc/47/26/63/566472663.db2.gz UBWYXTREKLSCAS-CWLKWCNXSA-N 1 3 384.351 3.319 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1Br ZINC000423070690 566473520 /nfs/dbraw/zinc/47/35/20/566473520.db2.gz DFCBTOLMWOQPOZ-IAAVTCLWSA-N 1 3 381.358 3.110 20 0 GGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000423078000 566473631 /nfs/dbraw/zinc/47/36/31/566473631.db2.gz VACMXOMCCKWPMY-CZUORRHYSA-N 1 3 392.341 3.113 20 0 GGADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000423073648 566473641 /nfs/dbraw/zinc/47/36/41/566473641.db2.gz JMXBUJMVFYSMTN-CZUORRHYSA-N 1 3 392.341 3.113 20 0 GGADHO Brc1cccc2[nH]cc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c21 ZINC000423130741 566476911 /nfs/dbraw/zinc/47/69/11/566476911.db2.gz YVDHMRNTNLAFDM-BHYGNILZSA-N 1 3 392.341 3.220 20 0 GGADHO Brc1cccc2[nH]cc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c21 ZINC000423130744 566477206 /nfs/dbraw/zinc/47/72/06/566477206.db2.gz YVDHMRNTNLAFDM-USXIJHARSA-N 1 3 392.341 3.220 20 0 GGADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000423127323 566477484 /nfs/dbraw/zinc/47/74/84/566477484.db2.gz BVSFCQYXEILXCT-DETPVDSQSA-N 1 3 387.749 3.476 20 0 GGADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000423127323 566477485 /nfs/dbraw/zinc/47/74/85/566477485.db2.gz BVSFCQYXEILXCT-DETPVDSQSA-N 1 3 387.749 3.476 20 0 GGADHO Clc1cc(Br)ccc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423142654 566479085 /nfs/dbraw/zinc/47/90/85/566479085.db2.gz AZBRTDAVAPVEQR-BHYGNILZSA-N 1 3 387.749 3.392 20 0 GGADHO Brc1ccc([C@H](NCCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423181970 566479929 /nfs/dbraw/zinc/47/99/29/566479929.db2.gz KBHDOSLQJCLJMQ-HXUWFJFHSA-N 1 3 388.353 3.423 20 0 GGADHO [NH3+]CC1CCC(NCc2c(Br)cncc2Br)CC1 ZINC000423156463 566480219 /nfs/dbraw/zinc/48/02/19/566480219.db2.gz LAZAGZNFXOSFIP-UHFFFAOYSA-N 1 3 377.124 3.214 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423161061 566480290 /nfs/dbraw/zinc/48/02/90/566480290.db2.gz NDPRVNOVBSHPBB-JQERWDHBSA-N 1 3 395.385 3.419 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423161064 566480342 /nfs/dbraw/zinc/48/03/42/566480342.db2.gz NDPRVNOVBSHPBB-SMMRIJLZSA-N 1 3 395.385 3.419 20 0 GGADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423178835 566480483 /nfs/dbraw/zinc/48/04/83/566480483.db2.gz ISXHEOOHYABTCG-BEFAXECRSA-N 1 3 380.374 3.391 20 0 GGADHO CCOC(=O)C1([C@@H](C)NCc2cc(C)ccc2Br)CC[NH2+]CC1 ZINC000423195052 566482332 /nfs/dbraw/zinc/48/23/32/566482332.db2.gz XIEBJMOKUXBRPX-CQSZACIVSA-N 1 3 383.330 3.169 20 0 GGADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(Br)cc1C(F)(F)F ZINC000423203164 566482577 /nfs/dbraw/zinc/48/25/77/566482577.db2.gz MHHRBOQKVHYNBD-NSHDSACASA-N 1 3 380.252 3.024 20 0 GGADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000423392847 566486582 /nfs/dbraw/zinc/48/65/82/566486582.db2.gz QUIMAPGLCRAIJQ-HZMBPMFUSA-N 1 3 398.242 3.075 20 0 GGADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000423392850 566486627 /nfs/dbraw/zinc/48/66/27/566486627.db2.gz QUIMAPGLCRAIJQ-YGRLFVJLSA-N 1 3 398.242 3.075 20 0 GGADHO Cc1nc(C(C)(C)C)sc1[C@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404199 566488812 /nfs/dbraw/zinc/48/88/12/566488812.db2.gz ZMNZRTJWRHMCLN-AAEUAGOBSA-N 1 3 378.508 3.236 20 0 GGADHO Cc1c([C@H](C)N[C@@H]2CC[C@H](C[NH3+])C2)nnn1-c1cccc(Br)c1 ZINC000423493020 566490565 /nfs/dbraw/zinc/49/05/65/566490565.db2.gz PFDBWRWICCZCEK-CORIIIEPSA-N 1 3 378.318 3.116 20 0 GGADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc(F)c(Cl)cc1Cl ZINC000423457651 566491398 /nfs/dbraw/zinc/49/13/98/566491398.db2.gz PDBLLYCSNWXPMK-HIIUDZQISA-N 1 3 388.314 3.430 20 0 GGADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000512041140 566508841 /nfs/dbraw/zinc/50/88/41/566508841.db2.gz SKGMJUXYPCEKCF-GASCZTMLSA-N 1 3 385.346 3.437 20 0 GGADHO Cc1cc(Br)ccc1NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297535 566527235 /nfs/dbraw/zinc/52/72/35/566527235.db2.gz SVZCBQOOXMZIOG-AWEZNQCLSA-N 1 3 380.330 3.160 20 0 GGADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000673601882 566546277 /nfs/dbraw/zinc/54/62/77/566546277.db2.gz BKFLLZPUUMBCTO-YOEHRIQHSA-N 1 3 398.364 3.277 20 0 GGADHO CN1CCN(CC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1(C)C ZINC000449305176 566546475 /nfs/dbraw/zinc/54/64/75/566546475.db2.gz RISVQAWJKYDQRI-UHFFFAOYSA-N 1 3 398.364 3.450 20 0 GGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000449597579 566579185 /nfs/dbraw/zinc/57/91/85/566579185.db2.gz FYBCWMVXAOZRFH-CQSZACIVSA-N 1 3 387.337 3.203 20 0 GGADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2ccc(OC)c(Br)c2)CC1 ZINC000449600125 566580883 /nfs/dbraw/zinc/58/08/83/566580883.db2.gz NDNXGXOAKHVVLA-INIZCTEOSA-N 1 3 399.373 3.073 20 0 GGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000449678813 566589712 /nfs/dbraw/zinc/58/97/12/566589712.db2.gz BZWVNCFMVCFBJG-OAHLLOKOSA-N 1 3 387.337 3.203 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449684991 566592741 /nfs/dbraw/zinc/59/27/41/566592741.db2.gz QSAIBONAXIDRFN-SZMVWBNQSA-N 1 3 381.358 3.125 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449684991 566592742 /nfs/dbraw/zinc/59/27/42/566592742.db2.gz QSAIBONAXIDRFN-SZMVWBNQSA-N 1 3 381.358 3.125 20 0 GGADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCOc3ccccc3Br)C2)C1 ZINC000652349174 566603754 /nfs/dbraw/zinc/60/37/54/566603754.db2.gz DUILNJOYBQQDST-HDMKZQKVSA-N 1 3 383.330 3.046 20 0 GGADHO C[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)[C@H]1CC[NH3+] ZINC000652353993 566605646 /nfs/dbraw/zinc/60/56/46/566605646.db2.gz KARKIISMXPDGRG-LRDDRELGSA-N 1 3 386.309 3.366 20 0 GGADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H]1CCN ZINC000652353993 566605647 /nfs/dbraw/zinc/60/56/47/566605647.db2.gz KARKIISMXPDGRG-LRDDRELGSA-N 1 3 386.309 3.366 20 0 GGADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H]1CCN ZINC000652353993 566605648 /nfs/dbraw/zinc/60/56/48/566605648.db2.gz KARKIISMXPDGRG-LRDDRELGSA-N 1 3 386.309 3.366 20 0 GGADHO CN1CCN(CCCC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000579495902 566614260 /nfs/dbraw/zinc/61/42/60/566614260.db2.gz QIZNSNFYQNSSNI-UHFFFAOYSA-N 1 3 380.330 3.313 20 0 GGADHO COC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCN2C)C[C@H]1c1ccc(Br)cc1 ZINC000425507952 566651444 /nfs/dbraw/zinc/65/14/44/566651444.db2.gz HBQAETCEBSKDPG-FGTMMUONSA-N 1 3 395.341 3.122 20 0 GGADHO COC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)C[C@H]1c1ccc(Br)cc1 ZINC000425507952 566651450 /nfs/dbraw/zinc/65/14/50/566651450.db2.gz HBQAETCEBSKDPG-FGTMMUONSA-N 1 3 395.341 3.122 20 0 GGADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4cc(Br)ccc43)C2)CC1 ZINC000675872770 566668356 /nfs/dbraw/zinc/66/83/56/566668356.db2.gz NYJLWPKWQZXJHO-QFBILLFUSA-N 1 3 378.358 3.195 20 0 GGADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Br)c1 ZINC000467865019 566671955 /nfs/dbraw/zinc/67/19/55/566671955.db2.gz PTXUGIFWPRVNFL-AWEZNQCLSA-N 1 3 382.346 3.042 20 0 GGADHO O=C1CC[C@@H](N[C@@H]2CCSc3c(Cl)cccc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000515404104 566709832 /nfs/dbraw/zinc/70/98/32/566709832.db2.gz NHZBTIDLVNFPLB-NUJGCVRESA-N 1 3 379.957 3.113 20 0 GGADHO [NH3+]CCC1CCN(Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000580777969 566722964 /nfs/dbraw/zinc/72/29/64/566722964.db2.gz AZCIPHDQFBVGKX-UHFFFAOYSA-N 1 3 375.314 3.467 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccc(C[NH3+])cc1 ZINC000515650034 566725598 /nfs/dbraw/zinc/72/55/98/566725598.db2.gz HITHZEBKAMBDPB-ZDUSSCGKSA-N 1 3 376.298 3.415 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000468864021 566739047 /nfs/dbraw/zinc/73/90/47/566739047.db2.gz GMFJXONPECZMQM-ARFHVFGLSA-N 1 3 383.989 3.380 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000468864021 566739054 /nfs/dbraw/zinc/73/90/54/566739054.db2.gz GMFJXONPECZMQM-ARFHVFGLSA-N 1 3 383.989 3.380 20 0 GGADHO CCN1CCN(CCC[NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000516209564 566752134 /nfs/dbraw/zinc/75/21/34/566752134.db2.gz BWGOIWNYBDJUCM-HNNXBMFYSA-N 1 3 386.353 3.136 20 0 GGADHO CCN1CCN(CCC[NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000516209565 566752558 /nfs/dbraw/zinc/75/25/58/566752558.db2.gz BWGOIWNYBDJUCM-OAHLLOKOSA-N 1 3 386.353 3.136 20 0 GGADHO C[NH+]1CCC(N2CC[C@H](N[C@@H]3CCc4c3c(Br)ccc4F)C2)CC1 ZINC000677654491 566757501 /nfs/dbraw/zinc/75/75/01/566757501.db2.gz PTUHNGNJZVXTKR-SCLBCKFNSA-N 1 3 396.348 3.334 20 0 GGADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCCSc3ccc(Cl)cc32)C1 ZINC000581523639 566784804 /nfs/dbraw/zinc/78/48/04/566784804.db2.gz KCTLDZCRPYJNPM-PBHICJAKSA-N 1 3 381.973 3.444 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc(Br)c1 ZINC000562625952 566807528 /nfs/dbraw/zinc/80/75/28/566807528.db2.gz WIOWGMMRJZXQJS-UHFFFAOYSA-N 1 3 391.741 3.060 20 0 GGADHO Cc1c2cccc(Br)c2oc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000543024917 566846646 /nfs/dbraw/zinc/84/66/46/566846646.db2.gz DWOPJUGKMBYXSS-UHFFFAOYSA-N 1 3 396.329 3.069 20 0 GGADHO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(OCCN(C)C)cc1 ZINC000490397650 566847786 /nfs/dbraw/zinc/84/77/86/566847786.db2.gz IULWNEZUFTYRFG-HNNXBMFYSA-N 1 3 395.345 3.327 20 0 GGADHO CC1CC[NH+](CCCNCCC(=O)Nc2cccc(Br)c2)CC1 ZINC000563774411 566917047 /nfs/dbraw/zinc/91/70/47/566917047.db2.gz UDLSXSFTQPPBMN-UHFFFAOYSA-N 1 3 382.346 3.489 20 0 GGADHO CC1CCN(CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000563774411 566917050 /nfs/dbraw/zinc/91/70/50/566917050.db2.gz UDLSXSFTQPPBMN-UHFFFAOYSA-N 1 3 382.346 3.489 20 0 GGADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000583217369 566929753 /nfs/dbraw/zinc/92/97/53/566929753.db2.gz XWJZJHLHEUDLFK-RRFJBIMHSA-N 1 3 385.371 3.465 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000519381455 566937907 /nfs/dbraw/zinc/93/79/07/566937907.db2.gz KDGZMBXHJGHUFM-OKZBNKHCSA-N 1 3 394.357 3.079 20 0 GGADHO Cc1cc(N2CC[C@H](N[C@H](C)C3CC[NH+](C)CC3)C2=O)ccc1Br ZINC000680940325 566941872 /nfs/dbraw/zinc/94/18/72/566941872.db2.gz RAGUGZRPADPUKB-KDOFPFPSSA-N 1 3 394.357 3.183 20 0 GGADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000519551284 566946681 /nfs/dbraw/zinc/94/66/81/566946681.db2.gz VWASNDOHPFXGAJ-MJGOQNOKSA-N 1 3 390.325 3.326 20 0 GGADHO C[C@H](NCCn1cc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519544873 566947226 /nfs/dbraw/zinc/94/72/26/566947226.db2.gz MLFNIRXEOXVXBP-DOTOQJQBSA-N 1 3 377.330 3.146 20 0 GGADHO C[C@H](NCCn1cc(Br)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519544873 566947231 /nfs/dbraw/zinc/94/72/31/566947231.db2.gz MLFNIRXEOXVXBP-DOTOQJQBSA-N 1 3 377.330 3.146 20 0 GGADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Br)c(Cl)c2)CC1 ZINC000494196272 566975744 /nfs/dbraw/zinc/97/57/44/566975744.db2.gz VMEIKVNTGKZFBP-UHFFFAOYSA-N 1 3 375.738 3.427 20 0 GGADHO C[C@H]([NH3+])[C@H]1CCCN(CCCOc2cccc(I)c2)C1 ZINC000430579268 567022875 /nfs/dbraw/zinc/02/28/75/567022875.db2.gz CAQGUHRVEMSCEF-KBPBESRZSA-N 1 3 388.293 3.119 20 0 GGADHO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000564988731 567027266 /nfs/dbraw/zinc/02/72/66/567027266.db2.gz OSFCSYXZFCNQJL-RBSFLKMASA-N 1 3 380.330 3.098 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+]Cc2cncc(Br)c2C)[C@H](C)C1 ZINC000657362343 567051347 /nfs/dbraw/zinc/05/13/47/567051347.db2.gz AJGGCYZRYGGOEO-KDOFPFPSSA-N 1 3 384.362 3.379 20 0 GGADHO CN1CCCN(CCC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453106251 567054919 /nfs/dbraw/zinc/05/49/19/567054919.db2.gz YKIIIFQMEGEDGL-HXUWFJFHSA-N 1 3 394.401 3.387 20 0 GGADHO C[N@@H+]1CC[C@H](NCCn2cc(Br)ccc2=O)C[C@H]1c1ccccc1 ZINC000453261729 567069605 /nfs/dbraw/zinc/06/96/05/567069605.db2.gz YWVCATBTASIRJC-ROUUACIJSA-N 1 3 390.325 3.036 20 0 GGADHO C[N@H+]1CC[C@H](NCCn2cc(Br)ccc2=O)C[C@H]1c1ccccc1 ZINC000453261729 567069611 /nfs/dbraw/zinc/06/96/11/567069611.db2.gz YWVCATBTASIRJC-ROUUACIJSA-N 1 3 390.325 3.036 20 0 GGADHO C[N@@H+]1CC[C@H](NCCn2cc(Br)ccc2=O)C[C@@H]1c1ccccc1 ZINC000453261732 567069872 /nfs/dbraw/zinc/06/98/72/567069872.db2.gz YWVCATBTASIRJC-ZWKOTPCHSA-N 1 3 390.325 3.036 20 0 GGADHO C[N@H+]1CC[C@H](NCCn2cc(Br)ccc2=O)C[C@@H]1c1ccccc1 ZINC000453261732 567069875 /nfs/dbraw/zinc/06/98/75/567069875.db2.gz YWVCATBTASIRJC-ZWKOTPCHSA-N 1 3 390.325 3.036 20 0 GGADHO C[N@@H+]1CC[C@@H](NCCn2cc(Br)ccc2=O)C[C@@H]1c1ccccc1 ZINC000453261727 567069898 /nfs/dbraw/zinc/06/98/98/567069898.db2.gz YWVCATBTASIRJC-QZTJIDSGSA-N 1 3 390.325 3.036 20 0 GGADHO C[N@H+]1CC[C@@H](NCCn2cc(Br)ccc2=O)C[C@@H]1c1ccccc1 ZINC000453261727 567069901 /nfs/dbraw/zinc/06/99/01/567069901.db2.gz YWVCATBTASIRJC-QZTJIDSGSA-N 1 3 390.325 3.036 20 0 GGADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCN1CCCN(C)CC1 ZINC000584861406 567075643 /nfs/dbraw/zinc/07/56/43/567075643.db2.gz DYYTUQGRGVVMRA-HNNXBMFYSA-N 1 3 386.353 3.136 20 0 GGADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627033 567084443 /nfs/dbraw/zinc/08/44/43/567084443.db2.gz SRAYMQVXAPRMEV-GJZGRUSLSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627033 567084446 /nfs/dbraw/zinc/08/44/46/567084446.db2.gz SRAYMQVXAPRMEV-GJZGRUSLSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627033 567084449 /nfs/dbraw/zinc/08/44/49/567084449.db2.gz SRAYMQVXAPRMEV-GJZGRUSLSA-N 1 3 382.346 3.486 20 0 GGADHO COc1ccc([C@@H](NCCOCC[NH3+])c2ccccc2)cc1Br ZINC000566244207 567141802 /nfs/dbraw/zinc/14/18/02/567141802.db2.gz DWAFIMIFTXQHEM-SFHVURJKSA-N 1 3 379.298 3.112 20 0 GGADHO COc1ccc([C@H](NCCOCC[NH3+])c2ccccc2)cc1Br ZINC000566244198 567142033 /nfs/dbraw/zinc/14/20/33/567142033.db2.gz DWAFIMIFTXQHEM-GOSISDBHSA-N 1 3 379.298 3.112 20 0 GGADHO CC1CC[NH+](C[C@@H](O)CNC2CC(c3cccc(Br)c3)C2)CC1 ZINC000432426293 567159412 /nfs/dbraw/zinc/15/94/12/567159412.db2.gz PZAGSWWGHVELCY-KVZIAJEVSA-N 1 3 381.358 3.378 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000566850550 567196637 /nfs/dbraw/zinc/19/66/37/567196637.db2.gz HCEIYWVBBGWZGX-HNNXBMFYSA-N 1 3 382.346 3.488 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000566850550 567196643 /nfs/dbraw/zinc/19/66/43/567196643.db2.gz HCEIYWVBBGWZGX-HNNXBMFYSA-N 1 3 382.346 3.488 20 0 GGADHO CC(C)N1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000566850550 567196645 /nfs/dbraw/zinc/19/66/45/567196645.db2.gz HCEIYWVBBGWZGX-HNNXBMFYSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524627729 567206246 /nfs/dbraw/zinc/20/62/46/567206246.db2.gz DPTHSNDYCXULNB-CQSZACIVSA-N 1 3 389.371 3.059 20 0 GGADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc(Br)cc1 ZINC000567160391 567223526 /nfs/dbraw/zinc/22/35/26/567223526.db2.gz FPSRETZJXOAYRH-SFHVURJKSA-N 1 3 397.357 3.185 20 0 GGADHO CC1CC[NH+](CCCCNCc2cnn3cc(Br)cnc23)CC1 ZINC000638369391 567246246 /nfs/dbraw/zinc/24/62/46/567246246.db2.gz GRMLKVMZTLVUDY-UHFFFAOYSA-N 1 3 380.334 3.094 20 0 GGADHO Brc1cnc2c(CNCCCCC[NH+]3CCCCC3)cnn2c1 ZINC000638527956 567254379 /nfs/dbraw/zinc/25/43/79/567254379.db2.gz QIUUREZVEWPWNE-UHFFFAOYSA-N 1 3 380.334 3.238 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(Cl)cccc1Cl ZINC000499518503 567254755 /nfs/dbraw/zinc/25/47/55/567254755.db2.gz HMXCFHZCAQZUDQ-HNNXBMFYSA-N 1 3 386.367 3.410 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(Cl)cccc1Cl ZINC000499518503 567254759 /nfs/dbraw/zinc/25/47/59/567254759.db2.gz HMXCFHZCAQZUDQ-HNNXBMFYSA-N 1 3 386.367 3.410 20 0 GGADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000567681646 567267263 /nfs/dbraw/zinc/26/72/63/567267263.db2.gz XWIXNWSGYYWQSJ-GDBMZVCRSA-N 1 3 375.340 3.443 20 0 GGADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000567681286 567267386 /nfs/dbraw/zinc/26/73/86/567267386.db2.gz OPINLZHKRFSHHT-INIZCTEOSA-N 1 3 375.340 3.443 20 0 GGADHO CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638852928 567274690 /nfs/dbraw/zinc/27/46/90/567274690.db2.gz OMOGOYQXFHJAKW-KBXCAEBGSA-N 1 3 399.373 3.350 20 0 GGADHO Brc1cc2c(cc1CN1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)OCCCO2 ZINC000567895559 567287861 /nfs/dbraw/zinc/28/78/61/567287861.db2.gz NUTLUCOOZKPXOL-LSDHHAIUSA-N 1 3 395.341 3.432 20 0 GGADHO Brc1cc2c(cc1CN1CCC[C@H]([C@H]3CC[NH2+]C3)C1)OCCCO2 ZINC000567895557 567287930 /nfs/dbraw/zinc/28/79/30/567287930.db2.gz NUTLUCOOZKPXOL-GJZGRUSLSA-N 1 3 395.341 3.432 20 0 GGADHO Brc1cc2c(cc1CN1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)OCCCO2 ZINC000567895558 567288887 /nfs/dbraw/zinc/28/88/87/567288887.db2.gz NUTLUCOOZKPXOL-HUUCEWRRSA-N 1 3 395.341 3.432 20 0 GGADHO C[N@@H+]1CC[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000591865696 567302049 /nfs/dbraw/zinc/30/20/49/567302049.db2.gz LYXHBVMUVWAHST-MRXNPFEDSA-N 1 3 384.351 3.370 20 0 GGADHO C[N@H+]1CC[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000591865696 567302058 /nfs/dbraw/zinc/30/20/58/567302058.db2.gz LYXHBVMUVWAHST-MRXNPFEDSA-N 1 3 384.351 3.370 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000527127066 567316225 /nfs/dbraw/zinc/31/62/25/567316225.db2.gz FHXVJQLVRRZQHX-UHFFFAOYSA-N 1 3 380.842 3.316 20 0 GGADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000527283448 567326796 /nfs/dbraw/zinc/32/67/96/567326796.db2.gz DRTZSTSAWTVPNT-LJQANCHMSA-N 1 3 380.374 3.444 20 0 GGADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000568513196 567334660 /nfs/dbraw/zinc/33/46/60/567334660.db2.gz KHHIILHWDAJEEX-CYBMUJFWSA-N 1 3 386.323 3.009 20 0 GGADHO NC[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000568513196 567334665 /nfs/dbraw/zinc/33/46/65/567334665.db2.gz KHHIILHWDAJEEX-CYBMUJFWSA-N 1 3 386.323 3.009 20 0 GGADHO NC[C@@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000568513196 567334669 /nfs/dbraw/zinc/33/46/69/567334669.db2.gz KHHIILHWDAJEEX-CYBMUJFWSA-N 1 3 386.323 3.009 20 0 GGADHO [NH3+][C@@H]1CCC[C@@H](CN[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000568749486 567353718 /nfs/dbraw/zinc/35/37/18/567353718.db2.gz YGGZMGCVDCSBBG-XWIAVFTESA-N 1 3 375.314 3.436 20 0 GGADHO [NH3+][C@@H]1CCC[C@@H](CN[C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000568749482 567353891 /nfs/dbraw/zinc/35/38/91/567353891.db2.gz YGGZMGCVDCSBBG-FSPWUOQZSA-N 1 3 375.314 3.436 20 0 GGADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1cc(F)c(Br)cc1F ZINC000527859573 567380449 /nfs/dbraw/zinc/38/04/49/567380449.db2.gz QBJKGXSOWRDGRY-CYBMUJFWSA-N 1 3 390.316 3.406 20 0 GGADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1cc(F)c(Br)cc1F ZINC000527859573 567380453 /nfs/dbraw/zinc/38/04/53/567380453.db2.gz QBJKGXSOWRDGRY-CYBMUJFWSA-N 1 3 390.316 3.406 20 0 GGADHO C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000501469673 567391361 /nfs/dbraw/zinc/39/13/61/567391361.db2.gz WDAVZAHIQUMOMU-IINYFYTJSA-N 1 3 378.685 3.374 20 0 GGADHO O=C(NC[C@H]1CCCN(CCSc2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000662263748 567422307 /nfs/dbraw/zinc/42/23/07/567422307.db2.gz DSNZEOXRMNVBMH-CRAIPNDOSA-N 1 3 381.973 3.012 20 0 GGADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1cc2c(s1)CCNC2 ZINC000662426157 567434789 /nfs/dbraw/zinc/43/47/89/567434789.db2.gz UBLCTIQTMALSHW-UHFFFAOYSA-N 1 3 375.563 3.097 20 0 GGADHO C[N@H+](C[C@H](O)CNCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)C1CC1 ZINC000570325537 567476427 /nfs/dbraw/zinc/47/64/27/567476427.db2.gz YMQKKVFYHTYRGB-CQSZACIVSA-N 1 3 376.850 3.435 20 0 GGADHO C[N@@H+](C[C@H](O)CNCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)C1CC1 ZINC000570325537 567476429 /nfs/dbraw/zinc/47/64/29/567476429.db2.gz YMQKKVFYHTYRGB-CQSZACIVSA-N 1 3 376.850 3.435 20 0 GGADHO CN1CCC(O)(C[NH2+][C@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663440355 567508625 /nfs/dbraw/zinc/50/86/25/567508625.db2.gz DOARGXISHFKTAQ-HNNXBMFYSA-N 1 3 385.371 3.422 20 0 GGADHO COC(=O)c1ccc(CNCC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000551584723 567520984 /nfs/dbraw/zinc/52/09/84/567520984.db2.gz MUGMBCTZNWICGT-UHFFFAOYSA-N 1 3 381.314 3.200 20 0 GGADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479333306 567524892 /nfs/dbraw/zinc/52/48/92/567524892.db2.gz WNYUUUZUADLOSD-IBGZPJMESA-N 1 3 380.374 3.444 20 0 GGADHO CC(C)CN1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000571277365 567550591 /nfs/dbraw/zinc/55/05/91/567550591.db2.gz SYDPMQZUFPJAPF-UHFFFAOYSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1ccc2cc(Br)ccc2c1 ZINC000571275866 567550970 /nfs/dbraw/zinc/55/09/70/567550970.db2.gz WHWBTTKEYZYJNW-AGRHKRQWSA-N 1 3 393.325 3.323 20 0 GGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644532071 567556779 /nfs/dbraw/zinc/55/67/79/567556779.db2.gz YTJVTNUMHHBKMZ-LSDHHAIUSA-N 1 3 375.340 3.443 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000505724417 567594401 /nfs/dbraw/zinc/59/44/01/567594401.db2.gz CCMJTZDSLPGCDK-MRXNPFEDSA-N 1 3 386.367 3.410 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000505724417 567594407 /nfs/dbraw/zinc/59/44/07/567594407.db2.gz CCMJTZDSLPGCDK-MRXNPFEDSA-N 1 3 386.367 3.410 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000505724416 567594466 /nfs/dbraw/zinc/59/44/66/567594466.db2.gz CCMJTZDSLPGCDK-INIZCTEOSA-N 1 3 386.367 3.410 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000505724416 567594469 /nfs/dbraw/zinc/59/44/69/567594469.db2.gz CCMJTZDSLPGCDK-INIZCTEOSA-N 1 3 386.367 3.410 20 0 GGADHO C[NH+](C)CC1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000506907210 567648533 /nfs/dbraw/zinc/64/85/33/567648533.db2.gz FVLLGPXMUIRNOS-UHFFFAOYSA-N 1 3 377.330 3.408 20 0 GGADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2cc(F)cc(Br)c2)CC1 ZINC000459713776 567653467 /nfs/dbraw/zinc/65/34/67/567653467.db2.gz XCYJKBAYIPFXDN-HNNXBMFYSA-N 1 3 387.337 3.202 20 0 GGADHO CSc1cc(Br)ccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441343733 567662961 /nfs/dbraw/zinc/66/29/61/567662961.db2.gz GWMOFNFTTOBLPV-UHFFFAOYSA-N 1 3 386.403 3.287 20 0 GGADHO C[C@@H](C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000573088117 567686692 /nfs/dbraw/zinc/68/66/92/567686692.db2.gz FLHQDNVGLSIMFD-CQSZACIVSA-N 1 3 384.351 3.273 20 0 GGADHO C[C@H](C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000573088114 567686919 /nfs/dbraw/zinc/68/69/19/567686919.db2.gz FLHQDNVGLSIMFD-AWEZNQCLSA-N 1 3 384.351 3.273 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000666857660 567708172 /nfs/dbraw/zinc/70/81/72/567708172.db2.gz DAUYYYWDIKOZNA-MRXNPFEDSA-N 1 3 394.357 3.094 20 0 GGADHO CN1CCN(CC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1(C)C ZINC000442872542 567713565 /nfs/dbraw/zinc/71/35/65/567713565.db2.gz JRZNMYMEUDFZFG-SFHVURJKSA-N 1 3 380.374 3.442 20 0 GGADHO Cc1cc(Br)cc2c1[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CC2 ZINC000442878635 567713922 /nfs/dbraw/zinc/71/39/22/567713922.db2.gz UEWUTVGAOOAYMZ-QGZVFWFLSA-N 1 3 380.374 3.360 20 0 GGADHO COc1cc(CN[C@H]2CC23CC[NH2+]CC3)cc(Br)c1OC(F)F ZINC000666952263 567714665 /nfs/dbraw/zinc/71/46/65/567714665.db2.gz NEHPOKZVJKISDA-ZDUSSCGKSA-N 1 3 391.256 3.291 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995135 567717391 /nfs/dbraw/zinc/71/73/91/567717391.db2.gz DRJJDSOQHIUCGO-CZUORRHYSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995135 567717399 /nfs/dbraw/zinc/71/73/99/567717399.db2.gz DRJJDSOQHIUCGO-CZUORRHYSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995136 567717722 /nfs/dbraw/zinc/71/77/22/567717722.db2.gz DRJJDSOQHIUCGO-XJKSGUPXSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995136 567717729 /nfs/dbraw/zinc/71/77/29/567717729.db2.gz DRJJDSOQHIUCGO-XJKSGUPXSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@H](C)C[NH+]1CCCC1 ZINC000532474132 567718938 /nfs/dbraw/zinc/71/89/38/567718938.db2.gz UKSXNGUMCQBSCC-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](C)CN1CCCC1 ZINC000532474132 567718942 /nfs/dbraw/zinc/71/89/42/567718942.db2.gz UKSXNGUMCQBSCC-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO CN1CCC[C@@H](C[N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000508554351 567753272 /nfs/dbraw/zinc/75/32/72/567753272.db2.gz ULUKFDGHBVNVBI-CQSZACIVSA-N 1 3 383.330 3.384 20 0 GGADHO CN1CCC[C@@H](C[N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000508554351 567753278 /nfs/dbraw/zinc/75/32/78/567753278.db2.gz ULUKFDGHBVNVBI-CQSZACIVSA-N 1 3 383.330 3.384 20 0 GGADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000574080949 567754922 /nfs/dbraw/zinc/75/49/22/567754922.db2.gz BEUDSJZDZYHKMP-LSDHHAIUSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000574080949 567754928 /nfs/dbraw/zinc/75/49/28/567754928.db2.gz BEUDSJZDZYHKMP-LSDHHAIUSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000574080949 567754933 /nfs/dbraw/zinc/75/49/33/567754933.db2.gz BEUDSJZDZYHKMP-LSDHHAIUSA-N 1 3 382.346 3.486 20 0 GGADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)Cc1ccc(Br)cc1 ZINC000555665717 567794596 /nfs/dbraw/zinc/79/45/96/567794596.db2.gz CACSPZGHLDROEO-QGZVFWFLSA-N 1 3 381.358 3.064 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cncc(Br)c1C ZINC000668159867 567798992 /nfs/dbraw/zinc/79/89/92/567798992.db2.gz JJAUCDJIBIGHCB-KRWDZBQOSA-N 1 3 383.378 3.000 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cncc(Br)c1C ZINC000668159867 567798996 /nfs/dbraw/zinc/79/89/96/567798996.db2.gz JJAUCDJIBIGHCB-KRWDZBQOSA-N 1 3 383.378 3.000 20 0 GGADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000574972463 567806535 /nfs/dbraw/zinc/80/65/35/567806535.db2.gz GGZIVDCXUMLRLG-GYABFAJESA-N 1 3 375.314 3.445 20 0 GGADHO COc1cc(CNC2CCN(c3cc[nH+]cc3)CC2)c(Br)cc1O ZINC000648077979 567813230 /nfs/dbraw/zinc/81/32/30/567813230.db2.gz UIGAPRDIUJDFMI-UHFFFAOYSA-N 1 3 392.297 3.317 20 0 GGADHO COc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)cc1-c1nnn[n-]1 ZINC000821818211 599404552 /nfs/dbraw/zinc/40/45/52/599404552.db2.gz LEBNZUAGBPFAFP-UHFFFAOYSA-N 1 3 380.496 3.005 20 0 GGADHO COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cc1-c1nnn[n-]1 ZINC000821818211 599404554 /nfs/dbraw/zinc/40/45/54/599404554.db2.gz LEBNZUAGBPFAFP-UHFFFAOYSA-N 1 3 380.496 3.005 20 0 GGADHO C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCN(CCCC(=O)[O-])CC3)cc2)C1 ZINC000833612635 605218935 /nfs/dbraw/zinc/21/89/35/605218935.db2.gz AXKUEXHCWBAVGI-LJQANCHMSA-N 1 3 387.568 3.337 20 0 GGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCN(CCCC(=O)[O-])CC3)cc2)C1 ZINC000833612635 605218938 /nfs/dbraw/zinc/21/89/38/605218938.db2.gz AXKUEXHCWBAVGI-LJQANCHMSA-N 1 3 387.568 3.337 20 0 GGADHO CC1CC[NH+](Cc2cccc(C[NH2+]C3CCN(CCCC(=O)[O-])CC3)c2)CC1 ZINC000833615878 605221320 /nfs/dbraw/zinc/22/13/20/605221320.db2.gz LSESPVWQFMKFIU-UHFFFAOYSA-N 1 3 387.568 3.337 20 0 GGADHO CC[N@H+](CCC1CC[NH+](Cc2ccc(F)cc2-c2nnn[n-]2)CC1)CC1CC1 ZINC000825419658 608211832 /nfs/dbraw/zinc/21/18/32/608211832.db2.gz QLRWTSSPUUJZFF-UHFFFAOYSA-N 1 3 386.519 3.340 20 0 GGADHO CC[N@@H+](CCC1CC[NH+](Cc2ccc(F)cc2-c2nnn[n-]2)CC1)CC1CC1 ZINC000825419658 608211833 /nfs/dbraw/zinc/21/18/33/608211833.db2.gz QLRWTSSPUUJZFF-UHFFFAOYSA-N 1 3 386.519 3.340 20 0 GGADHO CC[N@H+](CCC1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1)CC1CC1 ZINC000825419002 608212017 /nfs/dbraw/zinc/21/20/17/608212017.db2.gz CPZFDWVEPWLRHX-UHFFFAOYSA-N 1 3 386.519 3.340 20 0 GGADHO CC[N@@H+](CCC1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1)CC1CC1 ZINC000825419002 608212018 /nfs/dbraw/zinc/21/20/18/608212018.db2.gz CPZFDWVEPWLRHX-UHFFFAOYSA-N 1 3 386.519 3.340 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824616903 609141454 /nfs/dbraw/zinc/14/14/54/609141454.db2.gz AVDUNGQSIGOIKQ-HNNXBMFYSA-N 1 3 398.486 3.187 20 0 GGADHO C[NH+](C)Cc1cccc(NC2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000825870541 609176204 /nfs/dbraw/zinc/17/62/04/609176204.db2.gz QOPHGXDLESLNDO-UHFFFAOYSA-N 1 3 391.523 3.005 20 0 GGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000054044787 1406602998 /nfs/dbraw/zinc/60/29/98/1406602998.db2.gz CFJVKDXVPHAQGO-QHCPKHFHSA-N 1 3 392.547 3.225 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(F)cc1 ZINC000056341981 1407305017 /nfs/dbraw/zinc/30/50/17/1407305017.db2.gz XERAYVPNFZKTON-PMACEKPBSA-N 1 3 390.478 3.170 20 0 GGADHO CC1(C)CC(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC(C)(C)[NH2+]1 ZINC000042910923 1403672552 /nfs/dbraw/zinc/67/25/52/1403672552.db2.gz FMWURNAKJQEFDG-INIZCTEOSA-N 1 3 378.586 3.493 20 0 GGADHO COc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)N2CCCC2)cc1 ZINC000043110981 1403710220 /nfs/dbraw/zinc/71/02/20/1403710220.db2.gz KFTRDXAPTVKHQS-OAQYLSRUSA-N 1 3 390.572 3.061 20 0 GGADHO Cc1ccccc1CN1CCCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000045462417 1404126956 /nfs/dbraw/zinc/12/69/56/1404126956.db2.gz VSMHAEUWCFUNTG-UHFFFAOYSA-N 1 3 386.584 3.333 20 0 GGADHO O=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000047777638 1404938487 /nfs/dbraw/zinc/93/84/87/1404938487.db2.gz QBFZHYMCCXKKNO-OAQYLSRUSA-N 1 3 396.535 3.164 20 0 GGADHO O=C(NCC[N@H+]1CCc2ccccc2C1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000047777638 1404938497 /nfs/dbraw/zinc/93/84/97/1404938497.db2.gz QBFZHYMCCXKKNO-OAQYLSRUSA-N 1 3 396.535 3.164 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(OC)c1 ZINC000047884949 1404983908 /nfs/dbraw/zinc/98/39/08/1404983908.db2.gz OHUPCSYEWNNTPY-NRFANRHFSA-N 1 3 390.572 3.250 20 0 GGADHO C[NH+](C)CCOc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000048717144 1405266997 /nfs/dbraw/zinc/26/69/97/1405266997.db2.gz YDWYVCCXJQAGKA-UHFFFAOYSA-N 1 3 394.475 3.036 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccc4ccccc4c3)CC2)CC1 ZINC000050797328 1405655167 /nfs/dbraw/zinc/65/51/67/1405655167.db2.gz UAPNXPAANGMHCV-UHFFFAOYSA-N 1 3 379.548 3.447 20 0 GGADHO Cc1cccc(OCCCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050797030 1405656435 /nfs/dbraw/zinc/65/64/35/1405656435.db2.gz DGJOYCCWFCEBKL-UHFFFAOYSA-N 1 3 387.568 3.219 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Oc4ccccc4)nc3)CC2)CC1 ZINC000050797857 1405656705 /nfs/dbraw/zinc/65/67/05/1405656705.db2.gz LGHQUYOXKLMRAB-UHFFFAOYSA-N 1 3 394.519 3.162 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)CC1 ZINC000050799485 1405657227 /nfs/dbraw/zinc/65/72/27/1405657227.db2.gz XWWXKYWNHRTLRB-UHFFFAOYSA-N 1 3 393.959 3.172 20 0 GGADHO Cn1c2ccccc2c(Cl)c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050798447 1405657631 /nfs/dbraw/zinc/65/76/31/1405657631.db2.gz ARYNAGBDTNHAEQ-UHFFFAOYSA-N 1 3 388.943 3.120 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)CC2)CC1 ZINC000050797956 1405657672 /nfs/dbraw/zinc/65/76/72/1405657672.db2.gz XEDYWNKLPOFCNP-UHFFFAOYSA-N 1 3 392.906 3.249 20 0 GGADHO CC[C@H](C)c1ccccc1OCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050799536 1405658050 /nfs/dbraw/zinc/65/80/50/1405658050.db2.gz KTNPJILCMLRRHS-SFHVURJKSA-N 1 3 387.568 3.254 20 0 GGADHO Cc1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000050800029 1405658288 /nfs/dbraw/zinc/65/82/88/1405658288.db2.gz MOLWNCZMRQGCAB-UHFFFAOYSA-N 1 3 377.960 3.256 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)COc3ccccc3C(C)(C)C)CC2)CC1 ZINC000050800760 1405660052 /nfs/dbraw/zinc/66/00/52/1405660052.db2.gz RGKFETWOXAVBRF-UHFFFAOYSA-N 1 3 387.568 3.038 20 0 GGADHO Cc1ccc(C2=CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2)cc1 ZINC000051759097 1405860542 /nfs/dbraw/zinc/86/05/42/1405860542.db2.gz GXJAKYVLCVAIEH-UHFFFAOYSA-N 1 3 396.579 3.352 20 0 GGADHO CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759506 1405860575 /nfs/dbraw/zinc/86/05/75/1405860575.db2.gz YVYKBZAQEKDUBF-UHFFFAOYSA-N 1 3 399.004 3.492 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3c3cccs3)CC2)CC1 ZINC000051759569 1405860736 /nfs/dbraw/zinc/86/07/36/1405860736.db2.gz RJQABFJAWYDDDJ-GOSISDBHSA-N 1 3 376.570 3.153 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000051758622 1405860836 /nfs/dbraw/zinc/86/08/36/1405860836.db2.gz NIDICQMZSKIXOP-PMACEKPBSA-N 1 3 378.605 3.449 20 0 GGADHO C[C@@H](Cc1ccccc1Cl)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759969 1405861256 /nfs/dbraw/zinc/86/12/56/1405861256.db2.gz ZGUGAJKBMCRXLX-INIZCTEOSA-N 1 3 392.975 3.129 20 0 GGADHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000051761395 1405861430 /nfs/dbraw/zinc/86/14/30/1405861430.db2.gz ZHNJDMRJRTUJLP-KRWDZBQOSA-N 1 3 390.547 3.477 20 0 GGADHO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777864 1405862742 /nfs/dbraw/zinc/86/27/42/1405862742.db2.gz JFLDVKDUOFVXFC-HNNXBMFYSA-N 1 3 394.510 3.226 20 0 GGADHO Cc1cccc([C@H]2CCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000051777800 1405862793 /nfs/dbraw/zinc/86/27/93/1405862793.db2.gz WLSWBMGUUYAEOZ-JOCHJYFZSA-N 1 3 384.568 3.400 20 0 GGADHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000057173083 1407544248 /nfs/dbraw/zinc/54/42/48/1407544248.db2.gz FZDAHISMLKGFGB-BGYRXZFFSA-N 1 3 381.564 3.126 20 0 GGADHO C#CCN1CCC(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000057173083 1407544254 /nfs/dbraw/zinc/54/42/54/1407544254.db2.gz FZDAHISMLKGFGB-BGYRXZFFSA-N 1 3 381.564 3.126 20 0 GGADHO C#CCN1CCC(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000057173085 1407544587 /nfs/dbraw/zinc/54/45/87/1407544587.db2.gz FZDAHISMLKGFGB-WOJBJXKFSA-N 1 3 381.564 3.126 20 0 GGADHO C#CCN1CCC(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000057172648 1407544769 /nfs/dbraw/zinc/54/47/69/1407544769.db2.gz MKBWZHIASPYNKI-PMACEKPBSA-N 1 3 381.564 3.126 20 0 GGADHO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000057705819 1407694696 /nfs/dbraw/zinc/69/46/96/1407694696.db2.gz BYLCPESWLKLWGG-BEFAXECRSA-N 1 3 383.458 3.040 20 0 GGADHO C[C@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000057705819 1407694707 /nfs/dbraw/zinc/69/47/07/1407694707.db2.gz BYLCPESWLKLWGG-BEFAXECRSA-N 1 3 383.458 3.040 20 0 GGADHO O=C1c2ccccc2C(=O)N1CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057889790 1407747760 /nfs/dbraw/zinc/74/77/60/1407747760.db2.gz ZGEUOUJPRZJCIZ-UHFFFAOYSA-N 1 3 383.536 3.261 20 0 GGADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000176349693 1428263093 /nfs/dbraw/zinc/26/30/93/1428263093.db2.gz XSKHCPBXQKSVTL-IBGZPJMESA-N 1 3 396.620 3.076 20 0 GGADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000176349693 1428263105 /nfs/dbraw/zinc/26/31/05/1428263105.db2.gz XSKHCPBXQKSVTL-IBGZPJMESA-N 1 3 396.620 3.076 20 0 GGADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000176351868 1428263974 /nfs/dbraw/zinc/26/39/74/1428263974.db2.gz DCCGONBAFWBEHS-SQNIBIBYSA-N 1 3 376.570 3.153 20 0 GGADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000176351868 1428263985 /nfs/dbraw/zinc/26/39/85/1428263985.db2.gz DCCGONBAFWBEHS-SQNIBIBYSA-N 1 3 376.570 3.153 20 0 GGADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000058467317 1407833355 /nfs/dbraw/zinc/83/33/55/1407833355.db2.gz YWTTVHYRHBBMAC-JOCHJYFZSA-N 1 3 380.536 3.253 20 0 GGADHO C[C@H]1CN(CC2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)C[C@H](C)O1 ZINC000060368383 1407962712 /nfs/dbraw/zinc/96/27/12/1407962712.db2.gz FMXUJBNVTLNCEO-ROUUACIJSA-N 1 3 390.524 3.005 20 0 GGADHO CC[C@H](Cc1ccccc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176381913 1428286651 /nfs/dbraw/zinc/28/66/51/1428286651.db2.gz XTOPWRYWBHISTQ-OAQYLSRUSA-N 1 3 386.584 3.208 20 0 GGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000061795578 1408179051 /nfs/dbraw/zinc/17/90/51/1408179051.db2.gz XFHIBRYBAGCQCZ-JOCHJYFZSA-N 1 3 382.552 3.110 20 0 GGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000061795578 1408179060 /nfs/dbraw/zinc/17/90/60/1408179060.db2.gz XFHIBRYBAGCQCZ-JOCHJYFZSA-N 1 3 382.552 3.110 20 0 GGADHO C[C@H]1CN(CCCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C[C@H](C)O1 ZINC000062253182 1408224566 /nfs/dbraw/zinc/22/45/66/1408224566.db2.gz QMBJASMWAPHQNQ-KBPBESRZSA-N 1 3 399.329 3.157 20 0 GGADHO CC(C)[NH+](CCNC(=S)NC1CCN(Cc2ccccc2)CC1)C(C)C ZINC000063143315 1408307180 /nfs/dbraw/zinc/30/71/80/1408307180.db2.gz SAHYQAOHQZLOEZ-UHFFFAOYSA-N 1 3 376.614 3.234 20 0 GGADHO C[C@H]1CCCC[N@@H+]1CCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063145024 1408307349 /nfs/dbraw/zinc/30/73/49/1408307349.db2.gz NWCYAJDDWYRHRM-IBGZPJMESA-N 1 3 388.625 3.380 20 0 GGADHO C[C@H]1CCCC[N@H+]1CCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000063145024 1408307354 /nfs/dbraw/zinc/30/73/54/1408307354.db2.gz NWCYAJDDWYRHRM-IBGZPJMESA-N 1 3 388.625 3.380 20 0 GGADHO CC(C)[NH+]1CCC(N(C)C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063147142 1408308183 /nfs/dbraw/zinc/30/81/83/1408308183.db2.gz NIFOFWXFXGCVCJ-UHFFFAOYSA-N 1 3 388.625 3.330 20 0 GGADHO S=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000063149510 1408309019 /nfs/dbraw/zinc/30/90/19/1408309019.db2.gz OMYNWUONXDLULD-OAQYLSRUSA-N 1 3 386.609 3.086 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)o1 ZINC000176487080 1428336872 /nfs/dbraw/zinc/33/68/72/1428336872.db2.gz AYHVERIWPSSVLA-UHFFFAOYSA-N 1 3 390.572 3.458 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC000065466989 1408673475 /nfs/dbraw/zinc/67/34/75/1408673475.db2.gz ZFCGNXLXPRCPJS-JOCHJYFZSA-N 1 3 382.552 3.419 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)N(C)C)cc1 ZINC000065466989 1408673477 /nfs/dbraw/zinc/67/34/77/1408673477.db2.gz ZFCGNXLXPRCPJS-JOCHJYFZSA-N 1 3 382.552 3.419 20 0 GGADHO CCc1ccc([C@H](CNC(=O)NCCN(C)Cc2ccccc2)[NH+](C)C)cc1 ZINC000065541622 1408686274 /nfs/dbraw/zinc/68/62/74/1408686274.db2.gz XTYYJSKHBULKLR-QFIPXVFZSA-N 1 3 382.552 3.283 20 0 GGADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000065542737 1408686594 /nfs/dbraw/zinc/68/65/94/1408686594.db2.gz KNUYFKYINATKCP-UHFFFAOYSA-N 1 3 394.563 3.344 20 0 GGADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000065542737 1408686597 /nfs/dbraw/zinc/68/65/97/1408686597.db2.gz KNUYFKYINATKCP-UHFFFAOYSA-N 1 3 394.563 3.344 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000065750048 1408723897 /nfs/dbraw/zinc/72/38/97/1408723897.db2.gz KWPVEWSOWLLITF-PMACEKPBSA-N 1 3 386.584 3.067 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000065750048 1408723901 /nfs/dbraw/zinc/72/39/01/1408723901.db2.gz KWPVEWSOWLLITF-PMACEKPBSA-N 1 3 386.584 3.067 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N(CCCc2ccccc2)CCN(C)C)CC1 ZINC000066984015 1408971080 /nfs/dbraw/zinc/97/10/80/1408971080.db2.gz WLEKHBBBYLHOPM-UHFFFAOYSA-N 1 3 388.600 3.313 20 0 GGADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3ccc(OCC(N)=O)cc3)cc2)C1 ZINC000067120732 1409013275 /nfs/dbraw/zinc/01/32/75/1409013275.db2.gz UJPNIILPVQASEK-GOSISDBHSA-N 1 3 381.520 3.072 20 0 GGADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3ccc(OCC(N)=O)cc3)cc2)C1 ZINC000067120732 1409013280 /nfs/dbraw/zinc/01/32/80/1409013280.db2.gz UJPNIILPVQASEK-GOSISDBHSA-N 1 3 381.520 3.072 20 0 GGADHO CN1CCN(c2ccc(C[NH2+]Cc3ccccc3OC3CCCC3)cn2)CC1 ZINC000067186783 1409035950 /nfs/dbraw/zinc/03/59/50/1409035950.db2.gz KBCVXHCYTJYKCZ-UHFFFAOYSA-N 1 3 380.536 3.445 20 0 GGADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000067453117 1409122746 /nfs/dbraw/zinc/12/27/46/1409122746.db2.gz POISJXLYBLCSLS-GASCZTMLSA-N 1 3 385.346 3.437 20 0 GGADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000068443998 1409404600 /nfs/dbraw/zinc/40/46/00/1409404600.db2.gz AFRURVONCWQMBX-UHFFFAOYSA-N 1 3 385.474 3.468 20 0 GGADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000068443998 1409404604 /nfs/dbraw/zinc/40/46/04/1409404604.db2.gz AFRURVONCWQMBX-UHFFFAOYSA-N 1 3 385.474 3.468 20 0 GGADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000068546747 1409434721 /nfs/dbraw/zinc/43/47/21/1409434721.db2.gz SDXDFQAMSWYSMP-GOSISDBHSA-N 1 3 380.964 3.145 20 0 GGADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)C1 ZINC000068546747 1409434726 /nfs/dbraw/zinc/43/47/26/1409434726.db2.gz SDXDFQAMSWYSMP-GOSISDBHSA-N 1 3 380.964 3.145 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000068887221 1409516099 /nfs/dbraw/zinc/51/60/99/1409516099.db2.gz HQCLWLDLNXPMHG-JOCHJYFZSA-N 1 3 386.584 3.113 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2)CC1 ZINC000068999177 1409540331 /nfs/dbraw/zinc/54/03/31/1409540331.db2.gz VVQUTSNCINASEB-UHFFFAOYSA-N 1 3 386.584 3.069 20 0 GGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC000073657208 1409863588 /nfs/dbraw/zinc/86/35/88/1409863588.db2.gz VJBHQWUIMVESCW-SIKLNZKXSA-N 1 3 386.584 3.197 20 0 GGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)C1 ZINC000073657208 1409863589 /nfs/dbraw/zinc/86/35/89/1409863589.db2.gz VJBHQWUIMVESCW-SIKLNZKXSA-N 1 3 386.584 3.197 20 0 GGADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)CC1 ZINC000073811052 1409866065 /nfs/dbraw/zinc/86/60/65/1409866065.db2.gz REFQXFJIHDACJW-BHIFYINESA-N 1 3 384.568 3.338 20 0 GGADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)CC1 ZINC000073811052 1409866066 /nfs/dbraw/zinc/86/60/66/1409866066.db2.gz REFQXFJIHDACJW-BHIFYINESA-N 1 3 384.568 3.338 20 0 GGADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(OC(F)F)cc3)cc2)CC1 ZINC000075820863 1409883136 /nfs/dbraw/zinc/88/31/36/1409883136.db2.gz WUWREUIZSFZUGP-UHFFFAOYSA-N 1 3 375.463 3.325 20 0 GGADHO C[NH+](C)CCCCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000077615806 1409898276 /nfs/dbraw/zinc/89/82/76/1409898276.db2.gz IGWGXZFCEZVUDL-UHFFFAOYSA-N 1 3 381.948 3.031 20 0 GGADHO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000077712090 1409899113 /nfs/dbraw/zinc/89/91/13/1409899113.db2.gz KYIPNYMGSMSQHN-JOCHJYFZSA-N 1 3 380.536 3.212 20 0 GGADHO CC1CCN([C@H](CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000077785543 1409900647 /nfs/dbraw/zinc/90/06/47/1409900647.db2.gz HSZOKBDOTHYJTK-FGZHOGPDSA-N 1 3 384.568 3.339 20 0 GGADHO CC1CCN([C@H](CNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c2ccccc2)CC1 ZINC000077785543 1409900658 /nfs/dbraw/zinc/90/06/58/1409900658.db2.gz HSZOKBDOTHYJTK-FGZHOGPDSA-N 1 3 384.568 3.339 20 0 GGADHO COc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(SC)cc1OC ZINC000078052187 1409907398 /nfs/dbraw/zinc/90/73/98/1409907398.db2.gz LZXBNRWQKNMAQT-HOTGVXAUSA-N 1 3 382.570 3.405 20 0 GGADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(SC)cc1OC ZINC000078052184 1409907717 /nfs/dbraw/zinc/90/77/17/1409907717.db2.gz LZXBNRWQKNMAQT-IYBDPMFKSA-N 1 3 382.570 3.405 20 0 GGADHO CN(C)[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000078434348 1409917114 /nfs/dbraw/zinc/91/71/14/1409917114.db2.gz HHIIMIUDLNRVHI-JOCHJYFZSA-N 1 3 380.536 3.385 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000078522885 1409923352 /nfs/dbraw/zinc/92/33/52/1409923352.db2.gz BREFJFJZYVWGHK-ROUUACIJSA-N 1 3 378.586 3.305 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000078522885 1409923361 /nfs/dbraw/zinc/92/33/61/1409923361.db2.gz BREFJFJZYVWGHK-ROUUACIJSA-N 1 3 378.586 3.305 20 0 GGADHO CC1CC[NH+](CCCNC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1 ZINC000078947756 1409945727 /nfs/dbraw/zinc/94/57/27/1409945727.db2.gz AHVPHKPKMKQHIJ-UHFFFAOYSA-N 1 3 376.545 3.007 20 0 GGADHO CC[C@@H](CNC(=O)NC1CC[NH+](CC(C)C)CC1)N1CCc2ccccc2C1 ZINC000079097223 1409956645 /nfs/dbraw/zinc/95/66/45/1409956645.db2.gz FJJCGILNNHVFMI-QFIPXVFZSA-N 1 3 386.584 3.243 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000079224093 1409963237 /nfs/dbraw/zinc/96/32/37/1409963237.db2.gz NDQIANLCMURCQH-SFHVURJKSA-N 1 3 378.586 3.305 20 0 GGADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000079224300 1409963595 /nfs/dbraw/zinc/96/35/95/1409963595.db2.gz RDDGTIOGSQJXHD-MSOLQXFVSA-N 1 3 378.586 3.449 20 0 GGADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000079224300 1409963603 /nfs/dbraw/zinc/96/36/03/1409963603.db2.gz RDDGTIOGSQJXHD-MSOLQXFVSA-N 1 3 378.586 3.449 20 0 GGADHO CC[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000079256951 1409963639 /nfs/dbraw/zinc/96/36/39/1409963639.db2.gz PAAHGOOYIYTLNS-FCHUYYIVSA-N 1 3 384.568 3.093 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000079251081 1409964361 /nfs/dbraw/zinc/96/43/61/1409964361.db2.gz TXEUFRQXTNWGKZ-OALUTQOASA-N 1 3 378.586 3.401 20 0 GGADHO C[NH+](C)CCC1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 ZINC000079572791 1409982103 /nfs/dbraw/zinc/98/21/03/1409982103.db2.gz KJCBMCAIWZZHDW-SFHVURJKSA-N 1 3 378.586 3.258 20 0 GGADHO CC[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)N1CCc2ccccc2C1 ZINC000079601314 1409982847 /nfs/dbraw/zinc/98/28/47/1409982847.db2.gz RZVPRYOCSYFHHB-JOCHJYFZSA-N 1 3 386.584 3.197 20 0 GGADHO C[NH+](C)CCC1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000079620473 1409984031 /nfs/dbraw/zinc/98/40/31/1409984031.db2.gz GKAQOUQMAKFEAI-UHFFFAOYSA-N 1 3 386.584 3.197 20 0 GGADHO C[C@H]1C[C@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080165714 1410002186 /nfs/dbraw/zinc/00/21/86/1410002186.db2.gz SZOUCCJXDPNBQM-PZJWPPBQSA-N 1 3 384.568 3.309 20 0 GGADHO C[C@H]1C[C@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080165714 1410002195 /nfs/dbraw/zinc/00/21/95/1410002195.db2.gz SZOUCCJXDPNBQM-PZJWPPBQSA-N 1 3 384.568 3.309 20 0 GGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000081363204 1410018179 /nfs/dbraw/zinc/01/81/79/1410018179.db2.gz ZMUPRHNFQQMFOQ-WOJBJXKFSA-N 1 3 375.532 3.228 20 0 GGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000081363204 1410018186 /nfs/dbraw/zinc/01/81/86/1410018186.db2.gz ZMUPRHNFQQMFOQ-WOJBJXKFSA-N 1 3 375.532 3.228 20 0 GGADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000084442092 1410036431 /nfs/dbraw/zinc/03/64/31/1410036431.db2.gz SVCZNCKZYHUDOZ-SFHVURJKSA-N 1 3 378.586 3.086 20 0 GGADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000084442092 1410036438 /nfs/dbraw/zinc/03/64/38/1410036438.db2.gz SVCZNCKZYHUDOZ-SFHVURJKSA-N 1 3 378.586 3.086 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c2ccccc2)CC1 ZINC000085394126 1410040899 /nfs/dbraw/zinc/04/08/99/1410040899.db2.gz GKHAPDNBVSOANC-KSEOMHKRSA-N 1 3 386.584 3.441 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c2ccccc2)CC1 ZINC000085394126 1410040909 /nfs/dbraw/zinc/04/09/09/1410040909.db2.gz GKHAPDNBVSOANC-KSEOMHKRSA-N 1 3 386.584 3.441 20 0 GGADHO CC[NH+](CC)Cc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000085456471 1410042630 /nfs/dbraw/zinc/04/26/30/1410042630.db2.gz GIKAVQORIAVDKK-KDURUIRLSA-N 1 3 375.557 3.148 20 0 GGADHO COCCOc1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090524164 1410064015 /nfs/dbraw/zinc/06/40/15/1410064015.db2.gz CQGDZTPDFOGFBP-WTNAPCKOSA-N 1 3 376.541 3.130 20 0 GGADHO COCCOc1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090524154 1410064537 /nfs/dbraw/zinc/06/45/37/1410064537.db2.gz CQGDZTPDFOGFBP-YHYVQYDKSA-N 1 3 376.541 3.130 20 0 GGADHO COc1cc(C)c([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1OC ZINC000090526334 1410065290 /nfs/dbraw/zinc/06/52/90/1410065290.db2.gz FBNLTXAIYNSYTF-VDGAXYAQSA-N 1 3 376.541 3.431 20 0 GGADHO Cc1noc(C2CCN(Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC2)n1 ZINC000091835861 1410084819 /nfs/dbraw/zinc/08/48/19/1410084819.db2.gz GPXNQBNIFHYHQI-UHFFFAOYSA-N 1 3 383.540 3.288 20 0 GGADHO Cc1nccn1C[C@H](C)C[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000092389207 1410149850 /nfs/dbraw/zinc/14/98/50/1410149850.db2.gz QJPUKSADDUNOQH-MRXNPFEDSA-N 1 3 375.948 3.023 20 0 GGADHO C[NH+](C)CCOc1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000092480251 1410160581 /nfs/dbraw/zinc/16/05/81/1410160581.db2.gz MBGBAWLBCIMLNI-UHFFFAOYSA-N 1 3 396.535 3.413 20 0 GGADHO COc1ccc(-c2n[nH]cc2CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587566 1410176970 /nfs/dbraw/zinc/17/69/70/1410176970.db2.gz PDGCIOQZTQECJA-ROUUACIJSA-N 1 3 398.551 3.407 20 0 GGADHO COCCOc1ccccc1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587427 1410177129 /nfs/dbraw/zinc/17/71/29/1410177129.db2.gz YBOJEDIMUHDNGB-RTBURBONSA-N 1 3 376.541 3.033 20 0 GGADHO COCCCOc1cccc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587586 1410177226 /nfs/dbraw/zinc/17/72/26/1410177226.db2.gz FNJTYFHDZMGKAJ-BGYRXZFFSA-N 1 3 390.568 3.423 20 0 GGADHO COCCCOc1cccc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587586 1410177231 /nfs/dbraw/zinc/17/72/31/1410177231.db2.gz FNJTYFHDZMGKAJ-BGYRXZFFSA-N 1 3 390.568 3.423 20 0 GGADHO COCCCOc1cccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587586 1410177241 /nfs/dbraw/zinc/17/72/41/1410177241.db2.gz FNJTYFHDZMGKAJ-BGYRXZFFSA-N 1 3 390.568 3.423 20 0 GGADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000092812799 1410202911 /nfs/dbraw/zinc/20/29/11/1410202911.db2.gz QCNWLBZKYRSXMQ-FQEVSTJZSA-N 1 3 379.552 3.158 20 0 GGADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000092812799 1410202920 /nfs/dbraw/zinc/20/29/20/1410202920.db2.gz QCNWLBZKYRSXMQ-FQEVSTJZSA-N 1 3 379.552 3.158 20 0 GGADHO Cc1cc(C(=O)NC2CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)c(C)o1 ZINC000093009237 1410215055 /nfs/dbraw/zinc/21/50/55/1410215055.db2.gz WGZGYPHQEVAKCW-UHFFFAOYSA-N 1 3 399.535 3.231 20 0 GGADHO C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093336969 1410236489 /nfs/dbraw/zinc/23/64/89/1410236489.db2.gz WGXSNJLPTNAZMJ-JOCHJYFZSA-N 1 3 379.548 3.477 20 0 GGADHO C[N@H+](Cc1ccccc1N1CCOCC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000093336969 1410236495 /nfs/dbraw/zinc/23/64/95/1410236495.db2.gz WGXSNJLPTNAZMJ-JOCHJYFZSA-N 1 3 379.548 3.477 20 0 GGADHO COc1ccc([C@H](CO)N(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000093415832 1410244709 /nfs/dbraw/zinc/24/47/09/1410244709.db2.gz HRASEYAEPWAVRX-QHCPKHFHSA-N 1 3 384.520 3.335 20 0 GGADHO c1cnc(Oc2ccc(CN3CCC(OCC[NH+]4CCCC4)CC3)cc2)cn1 ZINC000093735172 1410261669 /nfs/dbraw/zinc/26/16/69/1410261669.db2.gz YQGXDMXNHHDWMF-UHFFFAOYSA-N 1 3 382.508 3.346 20 0 GGADHO Cc1cc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1-n1cncn1 ZINC000093844194 1410274656 /nfs/dbraw/zinc/27/46/56/1410274656.db2.gz OYKKMGXMEYNCIH-WOJBJXKFSA-N 1 3 397.567 3.287 20 0 GGADHO Cc1cc(C[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1-n1cncn1 ZINC000093844195 1410275488 /nfs/dbraw/zinc/27/54/88/1410275488.db2.gz OYKKMGXMEYNCIH-PMACEKPBSA-N 1 3 397.567 3.287 20 0 GGADHO COc1ccc([C@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000097357165 1410366171 /nfs/dbraw/zinc/36/61/71/1410366171.db2.gz RCHJRBHKETWSBC-NQIIRXRSSA-N 1 3 388.556 3.006 20 0 GGADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000097437697 1410370021 /nfs/dbraw/zinc/37/00/21/1410370021.db2.gz SBTJACVOGUXDLE-IBGZPJMESA-N 1 3 396.645 3.302 20 0 GGADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000097437697 1410370029 /nfs/dbraw/zinc/37/00/29/1410370029.db2.gz SBTJACVOGUXDLE-IBGZPJMESA-N 1 3 396.645 3.302 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000101592288 1410474751 /nfs/dbraw/zinc/47/47/51/1410474751.db2.gz TUVQQNILLJNHMP-HXUWFJFHSA-N 1 3 395.595 3.341 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCN2CCC(C)CC2)c1 ZINC000102559498 1410651690 /nfs/dbraw/zinc/65/16/90/1410651690.db2.gz BRBIIVLNHIAYNX-KRWDZBQOSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCCC[NH+]2CCC(C)CC2)c1 ZINC000102559498 1410651698 /nfs/dbraw/zinc/65/16/98/1410651698.db2.gz BRBIIVLNHIAYNX-KRWDZBQOSA-N 1 3 377.529 3.133 20 0 GGADHO CN(C)CCN(Cc1ccco1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000176876040 1428508837 /nfs/dbraw/zinc/50/88/37/1428508837.db2.gz QKYTYTMFGLCBCS-UHFFFAOYSA-N 1 3 384.524 3.149 20 0 GGADHO Cc1cccc(C2(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CCCC2)c1 ZINC000102638792 1410681548 /nfs/dbraw/zinc/68/15/48/1410681548.db2.gz NIOJDXPHOIDPPH-UHFFFAOYSA-N 1 3 383.580 3.482 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)CC2)CC1 ZINC000103077368 1410826080 /nfs/dbraw/zinc/82/60/80/1410826080.db2.gz XHYSVMJTQTVMNR-LJQANCHMSA-N 1 3 397.485 3.397 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000103301025 1410844287 /nfs/dbraw/zinc/84/42/87/1410844287.db2.gz NKFHKHXIMJVGGR-NRFANRHFSA-N 1 3 390.572 3.109 20 0 GGADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000103481170 1410862639 /nfs/dbraw/zinc/86/26/39/1410862639.db2.gz KVSVRMLAVKMNNZ-CALCHBBNSA-N 1 3 393.959 3.490 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](c3ccccc3)C3CCC3)CC2)CC1 ZINC000103870125 1410877984 /nfs/dbraw/zinc/87/79/84/1410877984.db2.gz SJIPXBGOPVYTSN-JOCHJYFZSA-N 1 3 384.568 3.386 20 0 GGADHO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000105126183 1411031560 /nfs/dbraw/zinc/03/15/60/1411031560.db2.gz WBARUAPVIRULDL-UGKGYDQZSA-N 1 3 386.584 3.243 20 0 GGADHO CC[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000105126183 1411031568 /nfs/dbraw/zinc/03/15/68/1411031568.db2.gz WBARUAPVIRULDL-UGKGYDQZSA-N 1 3 386.584 3.243 20 0 GGADHO CC[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000105126188 1411032203 /nfs/dbraw/zinc/03/22/03/1411032203.db2.gz WBARUAPVIRULDL-KNQAVFIVSA-N 1 3 386.584 3.243 20 0 GGADHO CC[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000105126188 1411032211 /nfs/dbraw/zinc/03/22/11/1411032211.db2.gz WBARUAPVIRULDL-KNQAVFIVSA-N 1 3 386.584 3.243 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000105273548 1411049118 /nfs/dbraw/zinc/04/91/18/1411049118.db2.gz SGSXOUCHURSEPJ-QGZVFWFLSA-N 1 3 396.526 3.158 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000105273548 1411049125 /nfs/dbraw/zinc/04/91/25/1411049125.db2.gz SGSXOUCHURSEPJ-QGZVFWFLSA-N 1 3 396.526 3.158 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000105441616 1411066647 /nfs/dbraw/zinc/06/66/47/1411066647.db2.gz RKVLIMQBTZJCRU-HXUWFJFHSA-N 1 3 382.552 3.024 20 0 GGADHO CCOc1cc(C[NH2+]C[C@@H](C)CN2CCN(CC)CC2)cc(Cl)c1OC ZINC000105442354 1411067480 /nfs/dbraw/zinc/06/74/80/1411067480.db2.gz KDABWGCZPYWWKR-MRXNPFEDSA-N 1 3 383.964 3.111 20 0 GGADHO CCOc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1OC ZINC000105495742 1411073115 /nfs/dbraw/zinc/07/31/15/1411073115.db2.gz UYQCGDBRBKRRPM-UHFFFAOYSA-N 1 3 384.520 3.340 20 0 GGADHO Cc1nn(CCO)c(C)c1C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000106486993 1411225901 /nfs/dbraw/zinc/22/59/01/1411225901.db2.gz KWPCHFOFLKQAGU-UHFFFAOYSA-N 1 3 390.959 3.147 20 0 GGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106518945 1411229662 /nfs/dbraw/zinc/22/96/62/1411229662.db2.gz NHRPCOJZAOJGLB-SJLPKXTDSA-N 1 3 376.570 3.201 20 0 GGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106518945 1411229669 /nfs/dbraw/zinc/22/96/69/1411229669.db2.gz NHRPCOJZAOJGLB-SJLPKXTDSA-N 1 3 376.570 3.201 20 0 GGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106518952 1411229854 /nfs/dbraw/zinc/22/98/54/1411229854.db2.gz NHRPCOJZAOJGLB-WMZOPIPTSA-N 1 3 376.570 3.201 20 0 GGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106518952 1411229863 /nfs/dbraw/zinc/22/98/63/1411229863.db2.gz NHRPCOJZAOJGLB-WMZOPIPTSA-N 1 3 376.570 3.201 20 0 GGADHO Cc1cc(C)c(C)c(OCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000107237797 1411354026 /nfs/dbraw/zinc/35/40/26/1411354026.db2.gz ZIFWQZHKAWVEBY-UHFFFAOYSA-N 1 3 387.568 3.056 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000107700447 1411399544 /nfs/dbraw/zinc/39/95/44/1411399544.db2.gz AIGHAROAJWYMFN-FCHUYYIVSA-N 1 3 380.536 3.426 20 0 GGADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000108302672 1411467939 /nfs/dbraw/zinc/46/79/39/1411467939.db2.gz CPMAPMUGXHZWPX-QUCCMNQESA-N 1 3 395.469 3.042 20 0 GGADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000108302672 1411467947 /nfs/dbraw/zinc/46/79/47/1411467947.db2.gz CPMAPMUGXHZWPX-QUCCMNQESA-N 1 3 395.469 3.042 20 0 GGADHO CSc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420739 1411495293 /nfs/dbraw/zinc/49/52/93/1411495293.db2.gz CGJZFSICNUACQV-HXUWFJFHSA-N 1 3 383.561 3.396 20 0 GGADHO CSc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420739 1411495305 /nfs/dbraw/zinc/49/53/05/1411495305.db2.gz CGJZFSICNUACQV-HXUWFJFHSA-N 1 3 383.561 3.396 20 0 GGADHO CCOc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108421002 1411497192 /nfs/dbraw/zinc/49/71/92/1411497192.db2.gz PBVNHUBPCJIIFU-OAQYLSRUSA-N 1 3 381.520 3.072 20 0 GGADHO CCOc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108421002 1411497209 /nfs/dbraw/zinc/49/72/09/1411497209.db2.gz PBVNHUBPCJIIFU-OAQYLSRUSA-N 1 3 381.520 3.072 20 0 GGADHO COc1cc(C[NH2+]C[C@H]2CCCN(C)C2)cc(Br)c1OC(F)F ZINC000108428147 1411498153 /nfs/dbraw/zinc/49/81/53/1411498153.db2.gz LTZMDKQABKVCAA-LLVKDONJSA-N 1 3 393.272 3.491 20 0 GGADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c2cccs2)CC1 ZINC000108541050 1411533886 /nfs/dbraw/zinc/53/38/86/1411533886.db2.gz UYVUXMLQNIJLIP-ROUUACIJSA-N 1 3 378.586 3.162 20 0 GGADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000108541050 1411533893 /nfs/dbraw/zinc/53/38/93/1411533893.db2.gz UYVUXMLQNIJLIP-ROUUACIJSA-N 1 3 378.586 3.162 20 0 GGADHO Cc1ccc(C[C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000108885646 1411631941 /nfs/dbraw/zinc/63/19/41/1411631941.db2.gz XXTVHSNNNKIQND-LJQANCHMSA-N 1 3 386.584 3.092 20 0 GGADHO CN(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000109339906 1411744654 /nfs/dbraw/zinc/74/46/54/1411744654.db2.gz MUOVOAQYHMHEFD-UNMCSNQZSA-N 1 3 383.511 3.457 20 0 GGADHO CN(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000109339906 1411744662 /nfs/dbraw/zinc/74/46/62/1411744662.db2.gz MUOVOAQYHMHEFD-UNMCSNQZSA-N 1 3 383.511 3.457 20 0 GGADHO CC[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N1CCc2ccccc2C1 ZINC000109481152 1411771821 /nfs/dbraw/zinc/77/18/21/1411771821.db2.gz WZNZKFZYBFGBQG-OAQYLSRUSA-N 1 3 386.584 3.339 20 0 GGADHO CC[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)N1CCc2ccccc2C1 ZINC000109481152 1411771828 /nfs/dbraw/zinc/77/18/28/1411771828.db2.gz WZNZKFZYBFGBQG-OAQYLSRUSA-N 1 3 386.584 3.339 20 0 GGADHO CN(C)[C@@H](CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000109929522 1411818915 /nfs/dbraw/zinc/81/89/15/1411818915.db2.gz LYNINOFHSUVTGP-QHCPKHFHSA-N 1 3 394.563 3.008 20 0 GGADHO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000111742388 1412022145 /nfs/dbraw/zinc/02/21/45/1412022145.db2.gz HJHXFNCIHVLGDY-UHFFFAOYSA-N 1 3 390.597 3.272 20 0 GGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000111881252 1412043062 /nfs/dbraw/zinc/04/30/62/1412043062.db2.gz PXQKPTPYWOCKKA-LJQANCHMSA-N 1 3 389.588 3.055 20 0 GGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000111881252 1412043069 /nfs/dbraw/zinc/04/30/69/1412043069.db2.gz PXQKPTPYWOCKKA-LJQANCHMSA-N 1 3 389.588 3.055 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(c4ccc(Cl)cc4)CC3)CC2)CC1 ZINC000112214809 1412094163 /nfs/dbraw/zinc/09/41/63/1412094163.db2.gz JABXDWHVRKSILL-UHFFFAOYSA-N 1 3 390.959 3.187 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(Oc4ccncc4)c3)CC2)CC1 ZINC000112632643 1412182304 /nfs/dbraw/zinc/18/23/04/1412182304.db2.gz VNRYNWFQWMGKFQ-UHFFFAOYSA-N 1 3 394.519 3.162 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000177215659 1428636752 /nfs/dbraw/zinc/63/67/52/1428636752.db2.gz HNEPDHXMJHKCQS-MDYRTPRTSA-N 1 3 395.469 3.182 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000177215659 1428636755 /nfs/dbraw/zinc/63/67/55/1428636755.db2.gz HNEPDHXMJHKCQS-MDYRTPRTSA-N 1 3 395.469 3.182 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000113388624 1412302749 /nfs/dbraw/zinc/30/27/49/1412302749.db2.gz RXESWBYURBPTCM-DEOSSOPVSA-N 1 3 398.595 3.308 20 0 GGADHO O=C(CCN1CCN(c2ccccc2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177230891 1428642866 /nfs/dbraw/zinc/64/28/66/1428642866.db2.gz BFTDHUNBKAYFHO-UHFFFAOYSA-N 1 3 398.595 3.112 20 0 GGADHO COc1ccc(CN(CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C2CC2)cc1 ZINC000114455618 1412436796 /nfs/dbraw/zinc/43/67/96/1412436796.db2.gz LZBAGAPOIJWYPS-GOSISDBHSA-N 1 3 387.568 3.285 20 0 GGADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000115640094 1412741531 /nfs/dbraw/zinc/74/15/31/1412741531.db2.gz RGZAAEOFNNGMJX-XLIONFOSSA-N 1 3 376.545 3.007 20 0 GGADHO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000115640094 1412741543 /nfs/dbraw/zinc/74/15/43/1412741543.db2.gz RGZAAEOFNNGMJX-XLIONFOSSA-N 1 3 376.545 3.007 20 0 GGADHO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000116440901 1412861318 /nfs/dbraw/zinc/86/13/18/1412861318.db2.gz NUWHAOOFAJQMGH-OAQYLSRUSA-N 1 3 383.511 3.416 20 0 GGADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000116449630 1412862020 /nfs/dbraw/zinc/86/20/20/1412862020.db2.gz JJJQJQDLCBJYLX-SFHLNBCPSA-N 1 3 386.584 3.166 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116566860 1412878624 /nfs/dbraw/zinc/87/86/24/1412878624.db2.gz DKFRQNXFKLKNJV-IBGZPJMESA-N 1 3 378.561 3.252 20 0 GGADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000177342774 1428699556 /nfs/dbraw/zinc/69/95/56/1428699556.db2.gz PWTHAQLGOBCYPU-UHFFFAOYSA-N 1 3 380.536 3.207 20 0 GGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000177376454 1428709881 /nfs/dbraw/zinc/70/98/81/1428709881.db2.gz DOPFJJYFSDQVQI-UHFFFAOYSA-N 1 3 394.563 3.397 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccsc1 ZINC000118771729 1413218222 /nfs/dbraw/zinc/21/82/22/1413218222.db2.gz YJLOQBIZGPSRID-IBGZPJMESA-N 1 3 393.597 3.282 20 0 GGADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000118814006 1413230571 /nfs/dbraw/zinc/23/05/71/1413230571.db2.gz NZXGCVBRZNXYTJ-IBGZPJMESA-N 1 3 390.597 3.083 20 0 GGADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000118814006 1413230585 /nfs/dbraw/zinc/23/05/85/1413230585.db2.gz NZXGCVBRZNXYTJ-IBGZPJMESA-N 1 3 390.597 3.083 20 0 GGADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000119270109 1413395289 /nfs/dbraw/zinc/39/52/89/1413395289.db2.gz YQXTYCDIHKOIFC-FQEVSTJZSA-N 1 3 399.510 3.082 20 0 GGADHO CCc1noc(C)c1CN1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000119402764 1413435241 /nfs/dbraw/zinc/43/52/41/1413435241.db2.gz HMCJYIBESVDBAA-UHFFFAOYSA-N 1 3 398.551 3.006 20 0 GGADHO CCc1noc(C)c1CN1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000119402764 1413435242 /nfs/dbraw/zinc/43/52/42/1413435242.db2.gz HMCJYIBESVDBAA-UHFFFAOYSA-N 1 3 398.551 3.006 20 0 GGADHO COc1ccc([C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)N2CCCCC2)cc1 ZINC000119423797 1413443030 /nfs/dbraw/zinc/44/30/30/1413443030.db2.gz ZDPIYJXBQXIXBA-VXKWHMMOSA-N 1 3 381.520 3.429 20 0 GGADHO CN(C)c1ccc(Cl)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120149102 1413707297 /nfs/dbraw/zinc/70/72/97/1413707297.db2.gz GIJFOCPUUADMGS-UHFFFAOYSA-N 1 3 393.963 3.086 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(C)(c4ccccc4)CC3)CC2)CC1 ZINC000120157585 1413711019 /nfs/dbraw/zinc/71/10/19/1413711019.db2.gz FSYTVWDWDLBCLJ-UHFFFAOYSA-N 1 3 398.595 3.308 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000120713189 1413882204 /nfs/dbraw/zinc/88/22/04/1413882204.db2.gz UWDGZCNGHXXLQF-GCJKJVERSA-N 1 3 380.536 3.210 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000120713486 1413882817 /nfs/dbraw/zinc/88/28/17/1413882817.db2.gz UWDGZCNGHXXLQF-XMSQKQJNSA-N 1 3 380.536 3.210 20 0 GGADHO CC(C)[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)N1CCCCC1 ZINC000120722240 1413885166 /nfs/dbraw/zinc/88/51/66/1413885166.db2.gz FJXJGMXPLIMJBU-JOCHJYFZSA-N 1 3 387.568 3.340 20 0 GGADHO CC(C)N(C(=O)[C@H](C)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(C)C ZINC000177487649 1428764196 /nfs/dbraw/zinc/76/41/96/1428764196.db2.gz HMTNZGJQWMOWAF-AQNXPRMDSA-N 1 3 381.605 3.232 20 0 GGADHO CC(C)N(C(=O)[C@H](C)[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)C(C)C ZINC000177487649 1428764199 /nfs/dbraw/zinc/76/41/99/1428764199.db2.gz HMTNZGJQWMOWAF-AQNXPRMDSA-N 1 3 381.605 3.232 20 0 GGADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)C[C@H](C)O1 ZINC000177495594 1428768776 /nfs/dbraw/zinc/76/87/76/1428768776.db2.gz LFVSGUXGLDKNLE-KDURUIRLSA-N 1 3 387.568 3.100 20 0 GGADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)C[C@H](C)O1 ZINC000177495594 1428768780 /nfs/dbraw/zinc/76/87/80/1428768780.db2.gz LFVSGUXGLDKNLE-KDURUIRLSA-N 1 3 387.568 3.100 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000177496021 1428769262 /nfs/dbraw/zinc/76/92/62/1428769262.db2.gz JPDFNFFBYADZPG-QZTJIDSGSA-N 1 3 391.531 3.366 20 0 GGADHO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)o1 ZINC000121039004 1413985747 /nfs/dbraw/zinc/98/57/47/1413985747.db2.gz HYEYPBJTZZBOFP-UHFFFAOYSA-N 1 3 379.508 3.015 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)c(OC)c1 ZINC000121092534 1414004573 /nfs/dbraw/zinc/00/45/73/1414004573.db2.gz YXJSDVZDRCOXLC-OAHLLOKOSA-N 1 3 377.529 3.273 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)C[C@@H](C)O1 ZINC000177508531 1428775167 /nfs/dbraw/zinc/77/51/67/1428775167.db2.gz DRCNFVWLRQHSQA-QZTJIDSGSA-N 1 3 391.531 3.366 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccco3)cc2)CC1 ZINC000121181655 1414035818 /nfs/dbraw/zinc/03/58/18/1414035818.db2.gz XRJDJVRFSKXJOO-UHFFFAOYSA-N 1 3 398.551 3.014 20 0 GGADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cccc(CO)c1 ZINC000121312690 1414080077 /nfs/dbraw/zinc/08/00/77/1414080077.db2.gz AQENFQMDSYVPRD-OAQYLSRUSA-N 1 3 381.564 3.428 20 0 GGADHO CCOc1ccc([C@H]2CCCN2C(=O)CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000121668952 1414217161 /nfs/dbraw/zinc/21/71/61/1414217161.db2.gz AHZUMSWLOAWBRN-JOCHJYFZSA-N 1 3 387.568 3.413 20 0 GGADHO CC(=O)c1cccc(OC[C@@H](O)CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121751794 1414246049 /nfs/dbraw/zinc/24/60/49/1414246049.db2.gz LSYMYSVCMBSKMD-QFIPXVFZSA-N 1 3 388.552 3.217 20 0 GGADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1OC(F)F ZINC000122044202 1414347647 /nfs/dbraw/zinc/34/76/47/1414347647.db2.gz QPQAUUGJXSUEQI-UHFFFAOYSA-N 1 3 396.482 3.277 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cc(-c4ccccc4)ns3)CC2)CC1 ZINC000122111995 1414365206 /nfs/dbraw/zinc/36/52/06/1414365206.db2.gz QKDPGAKJASTSFS-UHFFFAOYSA-N 1 3 399.564 3.490 20 0 GGADHO Cc1ccc(-c2ncco2)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122303022 1414417712 /nfs/dbraw/zinc/41/77/12/1414417712.db2.gz KEYCCBIEGPKURX-UHFFFAOYSA-N 1 3 397.523 3.330 20 0 GGADHO Cc1noc(-c2ccccc2)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122566076 1414503080 /nfs/dbraw/zinc/50/30/80/1414503080.db2.gz TZWXVOHWIBFLAF-UHFFFAOYSA-N 1 3 397.523 3.330 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000122725961 1414550177 /nfs/dbraw/zinc/55/01/77/1414550177.db2.gz ZINFFJCJXCLEMC-DLBZAZTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NCCC[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000122725961 1414550187 /nfs/dbraw/zinc/55/01/87/1414550187.db2.gz ZINFFJCJXCLEMC-DLBZAZTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCCC[C@H]2C)c(OC)c1 ZINC000122725961 1414550198 /nfs/dbraw/zinc/55/01/98/1414550198.db2.gz ZINFFJCJXCLEMC-DLBZAZTESA-N 1 3 377.529 3.275 20 0 GGADHO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000122924178 1414598404 /nfs/dbraw/zinc/59/84/04/1414598404.db2.gz UYEHFISFWXFKAE-XLIONFOSSA-N 1 3 395.588 3.398 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000123256520 1414680332 /nfs/dbraw/zinc/68/03/32/1414680332.db2.gz PNWVKMXBLRKMQY-FQEVSTJZSA-N 1 3 397.611 3.345 20 0 GGADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000177666927 1428828081 /nfs/dbraw/zinc/82/80/81/1428828081.db2.gz FNTYOARVFUBFGN-UHFFFAOYSA-N 1 3 381.520 3.369 20 0 GGADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(CCC[NH+](C)C)CC2)cc1F ZINC000123427196 1414727266 /nfs/dbraw/zinc/72/72/66/1414727266.db2.gz ZFSKEGNLLHHSML-KRWDZBQOSA-N 1 3 393.547 3.235 20 0 GGADHO O[C@H](CNCc1ccc(OCC[NH+]2CCCC2)cc1)c1c(F)cccc1F ZINC000123985336 1414862876 /nfs/dbraw/zinc/86/28/76/1414862876.db2.gz WFJSZBAFSUWPBH-HXUWFJFHSA-N 1 3 376.447 3.263 20 0 GGADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000124046254 1414875305 /nfs/dbraw/zinc/87/53/05/1414875305.db2.gz VHWXOLGGXGJCDW-GUDVDZBRSA-N 1 3 383.577 3.255 20 0 GGADHO Cc1nc(-c2cccs2)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000124397052 1414958299 /nfs/dbraw/zinc/95/82/99/1414958299.db2.gz DTAMWPZFSSKRKP-UHFFFAOYSA-N 1 3 398.576 3.407 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CN1Cc1ccccc1 ZINC000124883270 1415066014 /nfs/dbraw/zinc/06/60/14/1415066014.db2.gz IBKCHXUCGBZINS-XMSQKQJNSA-N 1 3 380.536 3.210 20 0 GGADHO C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CN1Cc1ccccc1 ZINC000124883017 1415066076 /nfs/dbraw/zinc/06/60/76/1415066076.db2.gz IBKCHXUCGBZINS-AVRDEDQJSA-N 1 3 380.536 3.210 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)[C@H](C)C1 ZINC000177845693 1428871269 /nfs/dbraw/zinc/87/12/69/1428871269.db2.gz MXERPCXYIDBDHF-DENIHFKCSA-N 1 3 387.568 3.149 20 0 GGADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000125671212 1415250870 /nfs/dbraw/zinc/25/08/70/1415250870.db2.gz DWTWRAOBNHSKMH-FQEVSTJZSA-N 1 3 394.510 3.274 20 0 GGADHO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000125670994 1415250998 /nfs/dbraw/zinc/25/09/98/1415250998.db2.gz FXKLMANBXCGQDD-UXHICEINSA-N 1 3 398.595 3.441 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000125672387 1415251522 /nfs/dbraw/zinc/25/15/22/1415251522.db2.gz FTHAOPYGOMINME-NFBKMPQASA-N 1 3 398.595 3.256 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c(OC)c1 ZINC000125748914 1415269788 /nfs/dbraw/zinc/26/97/88/1415269788.db2.gz BVZLFBFJNZHIIP-DLBZAZTESA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000125748914 1415269792 /nfs/dbraw/zinc/26/97/92/1415269792.db2.gz BVZLFBFJNZHIIP-DLBZAZTESA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC000125748914 1415269799 /nfs/dbraw/zinc/26/97/99/1415269799.db2.gz BVZLFBFJNZHIIP-DLBZAZTESA-N 1 3 377.529 3.131 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000126705723 1415531945 /nfs/dbraw/zinc/53/19/45/1415531945.db2.gz XJKSLARIMMJHSQ-GOSISDBHSA-N 1 3 381.520 3.056 20 0 GGADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1C ZINC000178036409 1428948622 /nfs/dbraw/zinc/94/86/22/1428948622.db2.gz OZZJFINVIPSFRR-IPMKNSEASA-N 1 3 375.557 3.500 20 0 GGADHO COCc1cc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccc1OC ZINC000126719663 1415538192 /nfs/dbraw/zinc/53/81/92/1415538192.db2.gz XMWHTYGJCSUCAX-IBGZPJMESA-N 1 3 397.563 3.440 20 0 GGADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c2cccs2)CC1 ZINC000126775849 1415555453 /nfs/dbraw/zinc/55/54/53/1415555453.db2.gz QSHGJCBEVXYOGH-MJGOQNOKSA-N 1 3 390.597 3.305 20 0 GGADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c2cccs2)CC1 ZINC000126775849 1415555458 /nfs/dbraw/zinc/55/54/58/1415555458.db2.gz QSHGJCBEVXYOGH-MJGOQNOKSA-N 1 3 390.597 3.305 20 0 GGADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000178037169 1428949566 /nfs/dbraw/zinc/94/95/66/1428949566.db2.gz MXFOBEDRJACXNK-BZSNNMDCSA-N 1 3 375.513 3.183 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000178036884 1428949585 /nfs/dbraw/zinc/94/95/85/1428949585.db2.gz QSWMBUKASPVDLH-BGYRXZFFSA-N 1 3 391.575 3.312 20 0 GGADHO CCC[NH+]1CCC(N[C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)CC1 ZINC000127229059 1415695326 /nfs/dbraw/zinc/69/53/26/1415695326.db2.gz MXXWHLOPPQMOKR-SFHVURJKSA-N 1 3 376.564 3.493 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3NCc3ccco3)CC2)CC1 ZINC000127452786 1415783514 /nfs/dbraw/zinc/78/35/14/1415783514.db2.gz TXOKFWLIKLQWKT-UHFFFAOYSA-N 1 3 396.535 3.180 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)CC1 ZINC000127482711 1415798011 /nfs/dbraw/zinc/79/80/11/1415798011.db2.gz RYTHQVYLSDNDSI-UHFFFAOYSA-N 1 3 388.531 3.058 20 0 GGADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000127486288 1415798671 /nfs/dbraw/zinc/79/86/71/1415798671.db2.gz JLAZJMXRAIGBCX-OAHLLOKOSA-N 1 3 378.948 3.259 20 0 GGADHO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000127573151 1415812143 /nfs/dbraw/zinc/81/21/43/1415812143.db2.gz PRFOFBZDVNZBJZ-OFNKIYASSA-N 1 3 383.580 3.274 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CN1C1CC1 ZINC000127968596 1415885347 /nfs/dbraw/zinc/88/53/47/1415885347.db2.gz CDZYEZWESHVYKM-NQIIRXRSSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CN1C1CC1 ZINC000127968596 1415885351 /nfs/dbraw/zinc/88/53/51/1415885351.db2.gz CDZYEZWESHVYKM-NQIIRXRSSA-N 1 3 384.568 3.165 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC2CC[NH+](CC(C)C)CC2)c(OC)c1 ZINC000128495361 1415999663 /nfs/dbraw/zinc/99/96/63/1415999663.db2.gz IDTCHOLUZILQPH-INIZCTEOSA-N 1 3 377.529 3.131 20 0 GGADHO C[C@@H](NCc1cccc(CS(C)(=O)=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178285538 1429042283 /nfs/dbraw/zinc/04/22/83/1429042283.db2.gz IKYLNZLTSZTNCY-QGZVFWFLSA-N 1 3 390.549 3.022 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000128664404 1416037399 /nfs/dbraw/zinc/03/73/99/1416037399.db2.gz SMHPKZGNHDWJHU-APWZRJJASA-N 1 3 377.529 3.131 20 0 GGADHO C[C@H](NCc1ccccc1CS(C)(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000178298362 1429045571 /nfs/dbraw/zinc/04/55/71/1429045571.db2.gz PWPPKBIWKUSDQI-KRWDZBQOSA-N 1 3 390.549 3.022 20 0 GGADHO C[C@@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)C(C)(C)C[NH+](C)C ZINC000128962764 1416114615 /nfs/dbraw/zinc/11/46/15/1416114615.db2.gz MWKMDGBGRUEZEQ-QGZVFWFLSA-N 1 3 392.613 3.376 20 0 GGADHO CC1CCN([C@H](CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)c2cccs2)CC1 ZINC000129319080 1416190508 /nfs/dbraw/zinc/19/05/08/1416190508.db2.gz YRURMVKNXMEKCX-ZWKOTPCHSA-N 1 3 378.586 3.114 20 0 GGADHO C[C@H]1CC[N@@H+](C/C=C/CN2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129595057 1416234342 /nfs/dbraw/zinc/23/43/42/1416234342.db2.gz QRTZKENKHXEOIW-FCOCTOGTSA-N 1 3 382.556 3.102 20 0 GGADHO C[C@H]1CC[N@H+](C/C=C/CN2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129595057 1416234347 /nfs/dbraw/zinc/23/43/47/1416234347.db2.gz QRTZKENKHXEOIW-FCOCTOGTSA-N 1 3 382.556 3.102 20 0 GGADHO C[C@H]1CCN(C/C=C/C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129595057 1416234351 /nfs/dbraw/zinc/23/43/51/1416234351.db2.gz QRTZKENKHXEOIW-FCOCTOGTSA-N 1 3 382.556 3.102 20 0 GGADHO C[C@H]1CCN(C/C=C/C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000129595057 1416234354 /nfs/dbraw/zinc/23/43/54/1416234354.db2.gz QRTZKENKHXEOIW-FCOCTOGTSA-N 1 3 382.556 3.102 20 0 GGADHO COc1ccccc1N1CC[C@H](N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000130099979 1416317969 /nfs/dbraw/zinc/31/79/69/1416317969.db2.gz DROCLDOUUCMDOY-NRFANRHFSA-N 1 3 394.519 3.044 20 0 GGADHO COc1ccccc1N1CC[C@@H](N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000130099773 1416318183 /nfs/dbraw/zinc/31/81/83/1416318183.db2.gz DROCLDOUUCMDOY-OAQYLSRUSA-N 1 3 394.519 3.044 20 0 GGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000130218017 1416341113 /nfs/dbraw/zinc/34/11/13/1416341113.db2.gz QGAXWCWTBBPBEH-SJORKVTESA-N 1 3 378.586 3.227 20 0 GGADHO CCN1CCN(CCC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000130545461 1416396801 /nfs/dbraw/zinc/39/68/01/1416396801.db2.gz DNKMCBQGNMLNGV-UHFFFAOYSA-N 1 3 386.584 3.417 20 0 GGADHO CCN1CCN(CCC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000130545461 1416396808 /nfs/dbraw/zinc/39/68/08/1416396808.db2.gz DNKMCBQGNMLNGV-UHFFFAOYSA-N 1 3 386.584 3.417 20 0 GGADHO C[C@@H](CSc1ccc(F)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000130550778 1416397531 /nfs/dbraw/zinc/39/75/31/1416397531.db2.gz CIVQKLHADUAFKU-INIZCTEOSA-N 1 3 393.572 3.229 20 0 GGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000130651263 1416417351 /nfs/dbraw/zinc/41/73/51/1416417351.db2.gz AGJFEUWKMFHRJA-FQEVSTJZSA-N 1 3 392.563 3.267 20 0 GGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000130651263 1416417356 /nfs/dbraw/zinc/41/73/56/1416417356.db2.gz AGJFEUWKMFHRJA-FQEVSTJZSA-N 1 3 392.563 3.267 20 0 GGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000130734020 1416437772 /nfs/dbraw/zinc/43/77/72/1416437772.db2.gz SPZQQQZUYPJBIN-JOCHJYFZSA-N 1 3 386.584 3.272 20 0 GGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000130734020 1416437780 /nfs/dbraw/zinc/43/77/80/1416437780.db2.gz SPZQQQZUYPJBIN-JOCHJYFZSA-N 1 3 386.584 3.272 20 0 GGADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000130742428 1416440359 /nfs/dbraw/zinc/44/03/59/1416440359.db2.gz XFHIBRYBAGCQCZ-QFIPXVFZSA-N 1 3 382.552 3.110 20 0 GGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000130742428 1416440367 /nfs/dbraw/zinc/44/03/67/1416440367.db2.gz XFHIBRYBAGCQCZ-QFIPXVFZSA-N 1 3 382.552 3.110 20 0 GGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000130790870 1416452480 /nfs/dbraw/zinc/45/24/80/1416452480.db2.gz IGPMNGLSIHECMJ-IBGZPJMESA-N 1 3 392.563 3.267 20 0 GGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC000130790870 1416452485 /nfs/dbraw/zinc/45/24/85/1416452485.db2.gz IGPMNGLSIHECMJ-IBGZPJMESA-N 1 3 392.563 3.267 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000131085881 1416506842 /nfs/dbraw/zinc/50/68/42/1416506842.db2.gz BOSIYDGWXGTMNR-FCHUYYIVSA-N 1 3 384.568 3.402 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000131103131 1416509158 /nfs/dbraw/zinc/50/91/58/1416509158.db2.gz UZXNJRXXAKNDLW-IBGZPJMESA-N 1 3 383.584 3.285 20 0 GGADHO C[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000131591652 1416581371 /nfs/dbraw/zinc/58/13/71/1416581371.db2.gz JRICVANJNDMOPG-KRWDZBQOSA-N 1 3 390.549 3.022 20 0 GGADHO C[C@@H]1CCC[C@](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)([NH+](C)C)C1 ZINC000131765832 1416615255 /nfs/dbraw/zinc/61/52/55/1416615255.db2.gz RXSRRAZKOQOWQU-GCJKJVERSA-N 1 3 390.572 3.396 20 0 GGADHO C[C@H]1CCC[C@@](CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)([NH+](C)C)C1 ZINC000131765617 1416615506 /nfs/dbraw/zinc/61/55/06/1416615506.db2.gz RXSRRAZKOQOWQU-PGRDOPGGSA-N 1 3 390.572 3.396 20 0 GGADHO Cn1ncc(Cl)c1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000131982887 1416666051 /nfs/dbraw/zinc/66/60/51/1416666051.db2.gz GPVWDWPMMXZHRF-UHFFFAOYSA-N 1 3 376.932 3.234 20 0 GGADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)C1CCCCC1 ZINC000178621665 1429123794 /nfs/dbraw/zinc/12/37/94/1429123794.db2.gz KQQYSCQKIQBTHH-ZWKOTPCHSA-N 1 3 378.605 3.449 20 0 GGADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000132580286 1416787910 /nfs/dbraw/zinc/78/79/10/1416787910.db2.gz WFPLFFSIOFDVCP-QGZVFWFLSA-N 1 3 381.520 3.453 20 0 GGADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000132723969 1416808285 /nfs/dbraw/zinc/80/82/85/1416808285.db2.gz XYWFWWHGPNCQBI-XGCWNURASA-N 1 3 386.561 3.232 20 0 GGADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000132724181 1416808459 /nfs/dbraw/zinc/80/84/59/1416808459.db2.gz XYWFWWHGPNCQBI-SOKVYYICSA-N 1 3 386.561 3.232 20 0 GGADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000132809042 1416817361 /nfs/dbraw/zinc/81/73/61/1416817361.db2.gz CZRATIMIUWSYFW-DLBZAZTESA-N 1 3 386.540 3.122 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000132928591 1416832333 /nfs/dbraw/zinc/83/23/33/1416832333.db2.gz WWADCTKYJLGFRD-FXAWDEMLSA-N 1 3 389.588 3.273 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000132928383 1416832353 /nfs/dbraw/zinc/83/23/53/1416832353.db2.gz WWADCTKYJLGFRD-XLIONFOSSA-N 1 3 389.588 3.273 20 0 GGADHO CCNC(=O)c1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000133004319 1416841155 /nfs/dbraw/zinc/84/11/55/1416841155.db2.gz OPJPHENZDOVUCE-UHFFFAOYSA-N 1 3 394.563 3.257 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000133887912 1416988783 /nfs/dbraw/zinc/98/87/83/1416988783.db2.gz LMJXNXBTQIAKHK-GOSISDBHSA-N 1 3 399.535 3.096 20 0 GGADHO c1ccc(-c2nnn(CCCCCN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000134946408 1417150264 /nfs/dbraw/zinc/15/02/64/1417150264.db2.gz DGAGIQABMHPXAM-IRLDBZIGSA-N 1 3 394.567 3.459 20 0 GGADHO c1ccc(-c2nnn(CCCCCN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000134946408 1417150265 /nfs/dbraw/zinc/15/02/65/1417150265.db2.gz DGAGIQABMHPXAM-IRLDBZIGSA-N 1 3 394.567 3.459 20 0 GGADHO Cc1cc(CNCc2ccnc(OCC[NH+](C)C)c2)ccc1Br ZINC000136221022 1417301956 /nfs/dbraw/zinc/30/19/56/1417301956.db2.gz UGOUVPUCTHRIFL-UHFFFAOYSA-N 1 3 378.314 3.383 20 0 GGADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000136586984 1417330167 /nfs/dbraw/zinc/33/01/67/1417330167.db2.gz SQHBBTAVMDWGIQ-RTBURBONSA-N 1 3 386.458 3.485 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000178808615 1429177221 /nfs/dbraw/zinc/17/72/21/1429177221.db2.gz JPLHBMJIIARBMC-IBGZPJMESA-N 1 3 399.583 3.267 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000178808615 1429177228 /nfs/dbraw/zinc/17/72/28/1429177228.db2.gz JPLHBMJIIARBMC-IBGZPJMESA-N 1 3 399.583 3.267 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)N2CCCC2)cc1 ZINC000138026528 1417401570 /nfs/dbraw/zinc/40/15/70/1417401570.db2.gz OHLAZNJFMPDCJW-FSSWDIPSSA-N 1 3 384.568 3.258 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)N2CCCC2)cc1 ZINC000138026528 1417401586 /nfs/dbraw/zinc/40/15/86/1417401586.db2.gz OHLAZNJFMPDCJW-FSSWDIPSSA-N 1 3 384.568 3.258 20 0 GGADHO CC1CCC(N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C2CC2)CC1 ZINC000138080348 1417404446 /nfs/dbraw/zinc/40/44/46/1417404446.db2.gz AUSZGJPGXHSRSP-UHFFFAOYSA-N 1 3 376.589 3.298 20 0 GGADHO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000139944074 1417481703 /nfs/dbraw/zinc/48/17/03/1417481703.db2.gz YFNFQDMXMMVQEP-UHFFFAOYSA-N 1 3 390.597 3.272 20 0 GGADHO C[C@H]([NH3+])C1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000178850926 1429195616 /nfs/dbraw/zinc/19/56/16/1429195616.db2.gz ALEDAURMKTVLSV-KXBFYZLASA-N 1 3 383.458 3.027 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000150736832 1417795074 /nfs/dbraw/zinc/79/50/74/1417795074.db2.gz KHQKDOJTWLBODI-UNMCSNQZSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000150736832 1417795085 /nfs/dbraw/zinc/79/50/85/1417795085.db2.gz KHQKDOJTWLBODI-UNMCSNQZSA-N 1 3 386.584 3.270 20 0 GGADHO CN(c1ccccc1CNC[C@@H](O)c1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC000150976512 1417847177 /nfs/dbraw/zinc/84/71/77/1417847177.db2.gz AXUNFFWGGJLQKS-OAQYLSRUSA-N 1 3 389.490 3.318 20 0 GGADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000151139263 1417880355 /nfs/dbraw/zinc/88/03/55/1417880355.db2.gz GMEBMHQXJIPTJP-SFHVURJKSA-N 1 3 382.552 3.442 20 0 GGADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000151139263 1417880356 /nfs/dbraw/zinc/88/03/56/1417880356.db2.gz GMEBMHQXJIPTJP-SFHVURJKSA-N 1 3 382.552 3.442 20 0 GGADHO COc1ccc2cccc(CC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2c1 ZINC000151599588 1418036175 /nfs/dbraw/zinc/03/61/75/1418036175.db2.gz UJENQRBIIXIECY-UHFFFAOYSA-N 1 3 395.547 3.066 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000152214838 1418175589 /nfs/dbraw/zinc/17/55/89/1418175589.db2.gz NAYJCYLCNQCSRH-AVRDEDQJSA-N 1 3 395.551 3.209 20 0 GGADHO Cc1ccc2c(c1)[C@H](NC(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CCC2 ZINC000179329956 1429331278 /nfs/dbraw/zinc/33/12/78/1429331278.db2.gz URAJIMNBXRUOKI-JOCHJYFZSA-N 1 3 384.568 3.230 20 0 GGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCc2sccc2C1 ZINC000179389549 1429354713 /nfs/dbraw/zinc/35/47/13/1429354713.db2.gz UIWAEZCSNXURPA-UHFFFAOYSA-N 1 3 398.576 3.266 20 0 GGADHO c1cn2c(cccc2C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000179418342 1429367216 /nfs/dbraw/zinc/36/72/16/1429367216.db2.gz YFNHPUUNRSVFNP-UHFFFAOYSA-N 1 3 377.536 3.022 20 0 GGADHO O=C(NC1CC1)[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000179755514 1429541211 /nfs/dbraw/zinc/54/12/11/1429541211.db2.gz RFAHABIQZKZYCX-OAQYLSRUSA-N 1 3 382.483 3.047 20 0 GGADHO C[C@@H](N[C@@H](C)c1ccccc1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000152894446 1422286267 /nfs/dbraw/zinc/28/62/67/1422286267.db2.gz SMKOEFHUCWPMFS-ZWKOTPCHSA-N 1 3 389.565 3.328 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CN1Cc1ccccc1 ZINC000153094052 1422353966 /nfs/dbraw/zinc/35/39/66/1422353966.db2.gz ZWJXNHBDEYVJOF-NQIIRXRSSA-N 1 3 384.568 3.356 20 0 GGADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CN1Cc1ccccc1 ZINC000153094175 1422354909 /nfs/dbraw/zinc/35/49/09/1422354909.db2.gz ZWJXNHBDEYVJOF-RXVVDRJESA-N 1 3 384.568 3.356 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCC2)[C@H](C)C1 ZINC000153811525 1422771873 /nfs/dbraw/zinc/77/18/73/1422771873.db2.gz WHWRHEPONILEQM-UXHICEINSA-N 1 3 383.646 3.075 20 0 GGADHO OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000154040890 1422830385 /nfs/dbraw/zinc/83/03/85/1422830385.db2.gz ZXNNEUKISUXWHE-XUZZJYLKSA-N 1 3 385.596 3.256 20 0 GGADHO Cc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000154539039 1422912639 /nfs/dbraw/zinc/91/26/39/1422912639.db2.gz RLUCZWJEICFSGP-GOSISDBHSA-N 1 3 389.565 3.076 20 0 GGADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccccc2C[N@H+](C)C(C)C)cc1 ZINC000154881890 1423066125 /nfs/dbraw/zinc/06/61/25/1423066125.db2.gz CUYUSBCVIGLIEO-QGZVFWFLSA-N 1 3 389.565 3.286 20 0 GGADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000154881890 1423066133 /nfs/dbraw/zinc/06/61/33/1423066133.db2.gz CUYUSBCVIGLIEO-QGZVFWFLSA-N 1 3 389.565 3.286 20 0 GGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000154946543 1423088450 /nfs/dbraw/zinc/08/84/50/1423088450.db2.gz MYMOXAAJNNAECR-FCHUYYIVSA-N 1 3 384.568 3.483 20 0 GGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000155436338 1423362844 /nfs/dbraw/zinc/36/28/44/1423362844.db2.gz OBEOMXMYXWZXBE-POAQFYNOSA-N 1 3 381.511 3.270 20 0 GGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000155436338 1423362857 /nfs/dbraw/zinc/36/28/57/1423362857.db2.gz OBEOMXMYXWZXBE-POAQFYNOSA-N 1 3 381.511 3.270 20 0 GGADHO COc1ccc([C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)N2CCCC2)cc1 ZINC000155496776 1423387422 /nfs/dbraw/zinc/38/74/22/1423387422.db2.gz DRLXVMVSUGIYKF-JOCHJYFZSA-N 1 3 381.520 3.324 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156353995 1423794251 /nfs/dbraw/zinc/79/42/51/1423794251.db2.gz ALWNCDVVRNANMZ-JOCHJYFZSA-N 1 3 384.568 3.095 20 0 GGADHO C[NH+](C)CCOc1ccccc1CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156385662 1423803139 /nfs/dbraw/zinc/80/31/39/1423803139.db2.gz GAVMUZJQZNRMLV-SFHVURJKSA-N 1 3 377.529 3.116 20 0 GGADHO C[C@@H]([NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCOCC1)c1ccccc1 ZINC000156442931 1423811162 /nfs/dbraw/zinc/81/11/62/1423811162.db2.gz FQAGIPIIBPMYPR-LJQANCHMSA-N 1 3 395.547 3.378 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCc4cc(F)ccc43)c2)C1 ZINC000156887870 1423880840 /nfs/dbraw/zinc/88/08/40/1423880840.db2.gz ZTMLOSRVPVDAGI-DENIHFKCSA-N 1 3 381.495 3.300 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCc4cc(F)ccc43)c2)C1 ZINC000156887870 1423880841 /nfs/dbraw/zinc/88/08/41/1423880841.db2.gz ZTMLOSRVPVDAGI-DENIHFKCSA-N 1 3 381.495 3.300 20 0 GGADHO Cc1ccc(OCCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000157136173 1423934439 /nfs/dbraw/zinc/93/44/39/1423934439.db2.gz AWVQIOWLUGUMMW-UHFFFAOYSA-N 1 3 387.568 3.137 20 0 GGADHO CN(C)[C@H](CNc1cc(NC[C@H](c2ccco2)[NH+](C)C)ncn1)c1ccco1 ZINC000157532449 1424031357 /nfs/dbraw/zinc/03/13/57/1424031357.db2.gz YAPVWVXZDVUTBR-HZPDHXFCSA-N 1 3 384.484 3.092 20 0 GGADHO CCC[NH+]1CCC(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000158109085 1424168981 /nfs/dbraw/zinc/16/89/81/1424168981.db2.gz UYYTYHRXWJZPTI-UHFFFAOYSA-N 1 3 390.597 3.274 20 0 GGADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)cc1 ZINC000158484886 1424269772 /nfs/dbraw/zinc/26/97/72/1424269772.db2.gz KZOJJQPKIIWQQR-GOSISDBHSA-N 1 3 390.535 3.178 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1 ZINC000158626518 1424304705 /nfs/dbraw/zinc/30/47/05/1424304705.db2.gz YAHUJVFDQFPEAC-UHFFFAOYSA-N 1 3 376.545 3.150 20 0 GGADHO c1ccc(CC[NH+]2CCC(NC[C@@H]3CN(Cc4ccccc4)CCO3)CC2)cc1 ZINC000158687820 1424320270 /nfs/dbraw/zinc/32/02/70/1424320270.db2.gz PRJFRFNUIZOWSQ-RUZDIDTESA-N 1 3 393.575 3.184 20 0 GGADHO c1ccc(CC[NH+]2CCC(NC[C@H]3CN(Cc4ccccc4)CCO3)CC2)cc1 ZINC000158687939 1424320354 /nfs/dbraw/zinc/32/03/54/1424320354.db2.gz PRJFRFNUIZOWSQ-VWLOTQADSA-N 1 3 393.575 3.184 20 0 GGADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)cc1 ZINC000158863118 1424359135 /nfs/dbraw/zinc/35/91/35/1424359135.db2.gz GYRQIQPKIXXDQM-RXVVDRJESA-N 1 3 390.572 3.304 20 0 GGADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCC(C)CC2)cc1 ZINC000158862960 1424359488 /nfs/dbraw/zinc/35/94/88/1424359488.db2.gz GYRQIQPKIXXDQM-NQIIRXRSSA-N 1 3 390.572 3.304 20 0 GGADHO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000158863277 1424359570 /nfs/dbraw/zinc/35/95/70/1424359570.db2.gz GYRQIQPKIXXDQM-WIYYLYMNSA-N 1 3 390.572 3.304 20 0 GGADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000159097225 1424416596 /nfs/dbraw/zinc/41/65/96/1424416596.db2.gz MJMKYJATTNXEQE-SFHVURJKSA-N 1 3 386.540 3.151 20 0 GGADHO C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(F)cc1OC(F)F ZINC000159203874 1424442277 /nfs/dbraw/zinc/44/22/77/1424442277.db2.gz XZSYDDUNWLOZGJ-AWEZNQCLSA-N 1 3 394.441 3.425 20 0 GGADHO C[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(F)cc1OC(F)F ZINC000159203874 1424442286 /nfs/dbraw/zinc/44/22/86/1424442286.db2.gz XZSYDDUNWLOZGJ-AWEZNQCLSA-N 1 3 394.441 3.425 20 0 GGADHO COc1ccc([C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)C(C)C)cc1 ZINC000180086612 1429730557 /nfs/dbraw/zinc/73/05/57/1429730557.db2.gz NYHSXYHXGFCPJW-JOCHJYFZSA-N 1 3 383.536 3.474 20 0 GGADHO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000163264332 1424969252 /nfs/dbraw/zinc/96/92/52/1424969252.db2.gz AELSFCJTZZADHU-LQWHRVPQSA-N 1 3 376.508 3.366 20 0 GGADHO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000163264332 1424969255 /nfs/dbraw/zinc/96/92/55/1424969255.db2.gz AELSFCJTZZADHU-LQWHRVPQSA-N 1 3 376.508 3.366 20 0 GGADHO CC[NH+](CC)Cc1ccccc1CN[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000163789158 1425044366 /nfs/dbraw/zinc/04/43/66/1425044366.db2.gz ZQQYLMHBGMTIJM-KRWDZBQOSA-N 1 3 389.565 3.287 20 0 GGADHO O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000163860197 1425051718 /nfs/dbraw/zinc/05/17/18/1425051718.db2.gz BQNJVFICMCSZLY-OAQYLSRUSA-N 1 3 383.923 3.308 20 0 GGADHO Cn1ncc2c1CCC[C@H]2NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163974840 1425065048 /nfs/dbraw/zinc/06/50/48/1425065048.db2.gz DIVHNYAYQGYVFC-JOCHJYFZSA-N 1 3 398.551 3.077 20 0 GGADHO Cn1ncc2c1CCC[C@H]2NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163974840 1425065054 /nfs/dbraw/zinc/06/50/54/1425065054.db2.gz DIVHNYAYQGYVFC-JOCHJYFZSA-N 1 3 398.551 3.077 20 0 GGADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000164585473 1425126316 /nfs/dbraw/zinc/12/63/16/1425126316.db2.gz VPBPGKLKJDVROS-GOSISDBHSA-N 1 3 377.532 3.174 20 0 GGADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(N)Cc3ccccc3C2)cc1 ZINC000164585473 1425126326 /nfs/dbraw/zinc/12/63/26/1425126326.db2.gz VPBPGKLKJDVROS-GOSISDBHSA-N 1 3 377.532 3.174 20 0 GGADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000165474883 1425180915 /nfs/dbraw/zinc/18/09/15/1425180915.db2.gz NEBLKXSPYNDEJH-UXPWSPDFSA-N 1 3 379.976 3.422 20 0 GGADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000165474883 1425180920 /nfs/dbraw/zinc/18/09/20/1425180920.db2.gz NEBLKXSPYNDEJH-UXPWSPDFSA-N 1 3 379.976 3.422 20 0 GGADHO CC[N@@H+]1CC[C@H](NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)[C@H](C)C1 ZINC000165584156 1425186249 /nfs/dbraw/zinc/18/62/49/1425186249.db2.gz RFHVONVLHNGTCS-APWZRJJASA-N 1 3 398.517 3.277 20 0 GGADHO CC[N@H+]1CC[C@H](NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)[C@H](C)C1 ZINC000165584156 1425186256 /nfs/dbraw/zinc/18/62/56/1425186256.db2.gz RFHVONVLHNGTCS-APWZRJJASA-N 1 3 398.517 3.277 20 0 GGADHO CCC[NH+]1CCC(NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC1 ZINC000165576082 1425186687 /nfs/dbraw/zinc/18/66/87/1425186687.db2.gz BZGNZJVLHDSNJL-UHFFFAOYSA-N 1 3 398.517 3.421 20 0 GGADHO CC(C)[NH+]1CCC(NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CC1 ZINC000165599251 1425187329 /nfs/dbraw/zinc/18/73/29/1425187329.db2.gz LLGDEAMMKGRUKQ-UHFFFAOYSA-N 1 3 398.517 3.420 20 0 GGADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000168941348 1425240785 /nfs/dbraw/zinc/24/07/85/1425240785.db2.gz PLAMSBUVNTXPQA-IBGZPJMESA-N 1 3 398.016 3.247 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCCCc3ccccc3)CC2)CC1 ZINC000170805410 1425349200 /nfs/dbraw/zinc/34/92/00/1425349200.db2.gz ZXAWJRMMPYVNDG-UHFFFAOYSA-N 1 3 386.584 3.257 20 0 GGADHO CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000171042932 1425452250 /nfs/dbraw/zinc/45/22/50/1425452250.db2.gz ITCSGBWVBHUUMD-UHFFFAOYSA-N 1 3 386.584 3.339 20 0 GGADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000171129760 1425496743 /nfs/dbraw/zinc/49/67/43/1425496743.db2.gz MTJYOZIQVTYKQH-KRWDZBQOSA-N 1 3 387.549 3.139 20 0 GGADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000171304590 1425605916 /nfs/dbraw/zinc/60/59/16/1425605916.db2.gz IGGPOXUIFIBKLY-IAGOWNOFSA-N 1 3 393.959 3.490 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)CCc3ccccc3)CC2)CC1 ZINC000171323058 1425616503 /nfs/dbraw/zinc/61/65/03/1425616503.db2.gz FQRMLSWBJYSQSP-UHFFFAOYSA-N 1 3 386.584 3.256 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccsc1 ZINC000171620328 1425760578 /nfs/dbraw/zinc/76/05/78/1425760578.db2.gz HJLYNEHWQLBVGU-MOPGFXCFSA-N 1 3 378.586 3.401 20 0 GGADHO Cc1ccccc1C1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000171729072 1425805255 /nfs/dbraw/zinc/80/52/55/1425805255.db2.gz PHHSIDCKESUCHZ-UHFFFAOYSA-N 1 3 398.595 3.443 20 0 GGADHO C[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000171964763 1425863936 /nfs/dbraw/zinc/86/39/36/1425863936.db2.gz QOMLOOONNRPRTM-IBGZPJMESA-N 1 3 383.580 3.320 20 0 GGADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000172246779 1425964368 /nfs/dbraw/zinc/96/43/68/1425964368.db2.gz CNKOGWHIHLIQSX-UHFFFAOYSA-N 1 3 390.531 3.241 20 0 GGADHO C[N@H+](Cc1ccccc1)CC1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000172246779 1425964371 /nfs/dbraw/zinc/96/43/71/1425964371.db2.gz CNKOGWHIHLIQSX-UHFFFAOYSA-N 1 3 390.531 3.241 20 0 GGADHO COc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000172631997 1426119756 /nfs/dbraw/zinc/11/97/56/1426119756.db2.gz NNAJKMZWPZAFFU-OAQYLSRUSA-N 1 3 388.556 3.007 20 0 GGADHO COc1cc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCN2C)c(OC)cc1Cl ZINC000173643913 1426807883 /nfs/dbraw/zinc/80/78/83/1426807883.db2.gz SCIADWARPCUUFF-HNNXBMFYSA-N 1 3 397.947 3.492 20 0 GGADHO COc1cc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCCN2C)c(OC)cc1Cl ZINC000173643913 1426807884 /nfs/dbraw/zinc/80/78/84/1426807884.db2.gz SCIADWARPCUUFF-HNNXBMFYSA-N 1 3 397.947 3.492 20 0 GGADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000173830570 1426863129 /nfs/dbraw/zinc/86/31/29/1426863129.db2.gz QZZSIWFNBYPDNG-UHFFFAOYSA-N 1 3 396.535 3.072 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccsc1 ZINC000174157060 1427024505 /nfs/dbraw/zinc/02/45/05/1427024505.db2.gz PPVQWHYHNHNDER-IEBWSBKVSA-N 1 3 378.586 3.258 20 0 GGADHO O=c1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c2cc3c(cc2o1)CCC3 ZINC000174237985 1427064082 /nfs/dbraw/zinc/06/40/82/1427064082.db2.gz XMZAHLQETWIKNI-UHFFFAOYSA-N 1 3 396.531 3.359 20 0 GGADHO CN(CCC(=O)NC(=O)Nc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400266 1427139617 /nfs/dbraw/zinc/13/96/17/1427139617.db2.gz HMUAEMVGGOZPFB-FQEVSTJZSA-N 1 3 394.519 3.179 20 0 GGADHO CN(CCC(=O)NC(=O)Nc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400266 1427139623 /nfs/dbraw/zinc/13/96/23/1427139623.db2.gz HMUAEMVGGOZPFB-FQEVSTJZSA-N 1 3 394.519 3.179 20 0 GGADHO CN(CCC(=O)NC(=O)Nc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174400282 1427139697 /nfs/dbraw/zinc/13/96/97/1427139697.db2.gz HMUAEMVGGOZPFB-HXUWFJFHSA-N 1 3 394.519 3.179 20 0 GGADHO CN(CCC(=O)NC(=O)Nc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174400282 1427139703 /nfs/dbraw/zinc/13/97/03/1427139703.db2.gz HMUAEMVGGOZPFB-HXUWFJFHSA-N 1 3 394.519 3.179 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)CSCC[NH+](CC)CC)c(C)c2)CC1 ZINC000174435888 1427155658 /nfs/dbraw/zinc/15/56/58/1427155658.db2.gz WKWHBRKPSKGHGG-UHFFFAOYSA-N 1 3 392.613 3.150 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1cccc(OC)c1 ZINC000174519277 1427199170 /nfs/dbraw/zinc/19/91/70/1427199170.db2.gz XAFTXMHBMFPAOZ-NRFANRHFSA-N 1 3 375.557 3.315 20 0 GGADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN1CCC(C)CC1 ZINC000175477293 1427776835 /nfs/dbraw/zinc/77/68/35/1427776835.db2.gz MSVQDOODICELCK-QFIPXVFZSA-N 1 3 386.584 3.272 20 0 GGADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN1CCC(C)CC1 ZINC000175477293 1427776838 /nfs/dbraw/zinc/77/68/38/1427776838.db2.gz MSVQDOODICELCK-QFIPXVFZSA-N 1 3 386.584 3.272 20 0 GGADHO COc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000175539922 1427808626 /nfs/dbraw/zinc/80/86/26/1427808626.db2.gz FBXVYSJUJMSQEL-ZJOUEHCJSA-N 1 3 388.556 3.004 20 0 GGADHO COc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)N2CCCC2)cc1 ZINC000175539902 1427808759 /nfs/dbraw/zinc/80/87/59/1427808759.db2.gz FBXVYSJUJMSQEL-ZVDOUQERSA-N 1 3 388.556 3.004 20 0 GGADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)N2CCCC2)c1 ZINC000175579881 1427821269 /nfs/dbraw/zinc/82/12/69/1427821269.db2.gz IUOKVZAVGDOCIW-SBHAEUEKSA-N 1 3 388.556 3.004 20 0 GGADHO CCc1ccc(C(C)(C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000175733157 1427872801 /nfs/dbraw/zinc/87/28/01/1427872801.db2.gz YOLZLHYWEQENBX-UHFFFAOYSA-N 1 3 386.584 3.342 20 0 GGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000175783338 1427891112 /nfs/dbraw/zinc/89/11/12/1427891112.db2.gz KZPOEQNLLZUFTO-UHFFFAOYSA-N 1 3 395.503 3.365 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(C)c2)CC1 ZINC000176004786 1428022799 /nfs/dbraw/zinc/02/27/99/1428022799.db2.gz DFBKKUVIZGYSIW-SFHVURJKSA-N 1 3 389.588 3.235 20 0 GGADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1c(F)cccc1Cl ZINC000176020745 1428031410 /nfs/dbraw/zinc/03/14/10/1428031410.db2.gz DBGIAEOIECWHQI-CQSZACIVSA-N 1 3 396.938 3.398 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000180633453 1429944863 /nfs/dbraw/zinc/94/48/63/1429944863.db2.gz CNBAEKGGFYSOPR-HDICACEKSA-N 1 3 376.589 3.429 20 0 GGADHO C[C@@H]1C[N@@H+](CCC2CCN(Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000180633453 1429944876 /nfs/dbraw/zinc/94/48/76/1429944876.db2.gz CNBAEKGGFYSOPR-HDICACEKSA-N 1 3 376.589 3.429 20 0 GGADHO C[C@@H]1C[N@H+](CCC2CCN(Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000180633453 1429944892 /nfs/dbraw/zinc/94/48/92/1429944892.db2.gz CNBAEKGGFYSOPR-HDICACEKSA-N 1 3 376.589 3.429 20 0 GGADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)NCC[NH+]3CCCC3)cc1)CC2 ZINC000180974386 1430145676 /nfs/dbraw/zinc/14/56/76/1430145676.db2.gz ALUQRGYUZKKCLB-QHCPKHFHSA-N 1 3 393.531 3.298 20 0 GGADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000180977271 1430147556 /nfs/dbraw/zinc/14/75/56/1430147556.db2.gz WTEWKWTXDKQQLM-KRWDZBQOSA-N 1 3 395.503 3.092 20 0 GGADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000180977140 1430147570 /nfs/dbraw/zinc/14/75/70/1430147570.db2.gz WTZQMBVLASQALJ-JOCHJYFZSA-N 1 3 381.495 3.428 20 0 GGADHO O=C(NCC[NH+]1CCCC1)c1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1 ZINC000180977157 1430147587 /nfs/dbraw/zinc/14/75/87/1430147587.db2.gz WTZQMBVLASQALJ-QFIPXVFZSA-N 1 3 381.495 3.428 20 0 GGADHO COc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000180976329 1430147605 /nfs/dbraw/zinc/14/76/05/1430147605.db2.gz WGIDEGIIQORJGV-IBGZPJMESA-N 1 3 395.547 3.242 20 0 GGADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cnc2ccsc2c1 ZINC000180997429 1430158759 /nfs/dbraw/zinc/15/87/59/1430158759.db2.gz IFLMSZZBAHYMFH-OAHLLOKOSA-N 1 3 382.533 3.439 20 0 GGADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cnc2ccsc2c1 ZINC000180997410 1430158858 /nfs/dbraw/zinc/15/88/58/1430158858.db2.gz IFLMSZZBAHYMFH-HNNXBMFYSA-N 1 3 382.533 3.439 20 0 GGADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181418552 1430293634 /nfs/dbraw/zinc/29/36/34/1430293634.db2.gz QREDDBADLDBPQS-NDXORKPFSA-N 1 3 387.524 3.062 20 0 GGADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181418521 1430293767 /nfs/dbraw/zinc/29/37/67/1430293767.db2.gz QREDDBADLDBPQS-DQLDELGASA-N 1 3 387.524 3.062 20 0 GGADHO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000181972131 1430390432 /nfs/dbraw/zinc/39/04/32/1430390432.db2.gz NKFVMYXNGFVPHG-SFHVURJKSA-N 1 3 380.536 3.243 20 0 GGADHO C[C@H](CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+]1CCCCC1 ZINC000182031414 1430399244 /nfs/dbraw/zinc/39/92/44/1430399244.db2.gz IVXWAQABVSORIR-RTBURBONSA-N 1 3 387.572 3.171 20 0 GGADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)ccc1OC ZINC000182215613 1430431087 /nfs/dbraw/zinc/43/10/87/1430431087.db2.gz NNAGINVXFSBGRC-SFHVURJKSA-N 1 3 377.573 3.298 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)cc1CN1CCCCC1 ZINC000182215727 1430431296 /nfs/dbraw/zinc/43/12/96/1430431296.db2.gz UVGVCJCOQTVOEM-LJQANCHMSA-N 1 3 389.584 3.443 20 0 GGADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000182215837 1430431395 /nfs/dbraw/zinc/43/13/95/1430431395.db2.gz OGFJMDJXDLQUSU-SQNIBIBYSA-N 1 3 376.570 3.011 20 0 GGADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000182215837 1430431400 /nfs/dbraw/zinc/43/14/00/1430431400.db2.gz OGFJMDJXDLQUSU-SQNIBIBYSA-N 1 3 376.570 3.011 20 0 GGADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182242899 1430435879 /nfs/dbraw/zinc/43/58/79/1430435879.db2.gz SKJFNDSGNOFIDQ-UZUQRXQVSA-N 1 3 381.520 3.453 20 0 GGADHO CC(=O)Nc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182242899 1430435880 /nfs/dbraw/zinc/43/58/80/1430435880.db2.gz SKJFNDSGNOFIDQ-UZUQRXQVSA-N 1 3 381.520 3.453 20 0 GGADHO COCc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1OC ZINC000182261541 1430438957 /nfs/dbraw/zinc/43/89/57/1430438957.db2.gz SNPOHQJPDSFWNE-JTSKRJEESA-N 1 3 384.520 3.259 20 0 GGADHO COCc1cc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1OC ZINC000182261541 1430438962 /nfs/dbraw/zinc/43/89/62/1430438962.db2.gz SNPOHQJPDSFWNE-JTSKRJEESA-N 1 3 384.520 3.259 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCOC2=O)cc1 ZINC000182263254 1430439339 /nfs/dbraw/zinc/43/93/39/1430439339.db2.gz GPMUIOXNDBGDNF-VGSWGCGISA-N 1 3 395.503 3.061 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(N2CCOC2=O)cc1 ZINC000182263254 1430439340 /nfs/dbraw/zinc/43/93/40/1430439340.db2.gz GPMUIOXNDBGDNF-VGSWGCGISA-N 1 3 395.503 3.061 20 0 GGADHO COCCOc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182263190 1430439378 /nfs/dbraw/zinc/43/93/78/1430439378.db2.gz SEVAGGNIWKBGGE-AVRDEDQJSA-N 1 3 384.520 3.129 20 0 GGADHO COCCOc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182263190 1430439379 /nfs/dbraw/zinc/43/93/79/1430439379.db2.gz SEVAGGNIWKBGGE-AVRDEDQJSA-N 1 3 384.520 3.129 20 0 GGADHO C[C@H](CS(C)(=O)=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000182331741 1430449652 /nfs/dbraw/zinc/44/96/52/1430449652.db2.gz LRYMWXLQRYFFPF-GOSISDBHSA-N 1 3 386.561 3.472 20 0 GGADHO CN(C)Cc1cccc(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000182400297 1430460453 /nfs/dbraw/zinc/46/04/53/1430460453.db2.gz UXGBPQPJVUAEBA-UHFFFAOYSA-N 1 3 395.547 3.195 20 0 GGADHO C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401782 1430460773 /nfs/dbraw/zinc/46/07/73/1430460773.db2.gz QDWXSJOPDGNYOC-PZJWPPBQSA-N 1 3 398.595 3.387 20 0 GGADHO C[C@H](NC(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401782 1430460777 /nfs/dbraw/zinc/46/07/77/1430460777.db2.gz QDWXSJOPDGNYOC-PZJWPPBQSA-N 1 3 398.595 3.387 20 0 GGADHO COCCN1CCC([NH2+][C@@H](C)c2ccc(OC)c(CN3CCCCC3)c2)CC1 ZINC000182614434 1430502779 /nfs/dbraw/zinc/50/27/79/1430502779.db2.gz KYRHLRRKEIVQEN-IBGZPJMESA-N 1 3 389.584 3.443 20 0 GGADHO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000182632580 1430506295 /nfs/dbraw/zinc/50/62/95/1430506295.db2.gz RNEGHJQYKFLIAE-XXBNENTESA-N 1 3 379.552 3.156 20 0 GGADHO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000182632580 1430506300 /nfs/dbraw/zinc/50/63/00/1430506300.db2.gz RNEGHJQYKFLIAE-XXBNENTESA-N 1 3 379.552 3.156 20 0 GGADHO C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182856921 1430554613 /nfs/dbraw/zinc/55/46/13/1430554613.db2.gz TVPOXAKYTNPZJL-OALUTQOASA-N 1 3 376.589 3.299 20 0 GGADHO C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182856921 1430554614 /nfs/dbraw/zinc/55/46/14/1430554614.db2.gz TVPOXAKYTNPZJL-OALUTQOASA-N 1 3 376.589 3.299 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000182865962 1430556718 /nfs/dbraw/zinc/55/67/18/1430556718.db2.gz SVFAHKCXOPJFRL-RBUKOAKNSA-N 1 3 390.572 3.314 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000182865962 1430556724 /nfs/dbraw/zinc/55/67/24/1430556724.db2.gz SVFAHKCXOPJFRL-RBUKOAKNSA-N 1 3 390.572 3.314 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000182865979 1430556772 /nfs/dbraw/zinc/55/67/72/1430556772.db2.gz SVFAHKCXOPJFRL-RTBURBONSA-N 1 3 390.572 3.314 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000182865979 1430556781 /nfs/dbraw/zinc/55/67/81/1430556781.db2.gz SVFAHKCXOPJFRL-RTBURBONSA-N 1 3 390.572 3.314 20 0 GGADHO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182962039 1430581222 /nfs/dbraw/zinc/58/12/22/1430581222.db2.gz ILFPFHOTYUIIDW-FQEVSTJZSA-N 1 3 387.568 3.455 20 0 GGADHO C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182980791 1430584574 /nfs/dbraw/zinc/58/45/74/1430584574.db2.gz UUJHRJSWGKONMT-MRXNPFEDSA-N 1 3 395.494 3.116 20 0 GGADHO c1ccc(CN2C[C@H]3CCC[C@H]([NH2+]CCc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000183127405 1430622416 /nfs/dbraw/zinc/62/24/16/1430622416.db2.gz JYJQVRSHHWSGPY-VSKRKVRLSA-N 1 3 393.579 3.437 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183226625 1430652475 /nfs/dbraw/zinc/65/24/75/1430652475.db2.gz IXKSMVQWHCVYTI-SJORKVTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000183226625 1430652481 /nfs/dbraw/zinc/65/24/81/1430652481.db2.gz IXKSMVQWHCVYTI-SJORKVTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183226584 1430652654 /nfs/dbraw/zinc/65/26/54/1430652654.db2.gz IXKSMVQWHCVYTI-IRXDYDNUSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000183226584 1430652659 /nfs/dbraw/zinc/65/26/59/1430652659.db2.gz IXKSMVQWHCVYTI-IRXDYDNUSA-N 1 3 377.529 3.275 20 0 GGADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](c3nccn3C)C3CC3)CC2)c1 ZINC000183241100 1430657793 /nfs/dbraw/zinc/65/77/93/1430657793.db2.gz JWUZNBAXIAQRCZ-QFIPXVFZSA-N 1 3 381.568 3.372 20 0 GGADHO Cc1cccc(N2CC[NH+](CCCCN[C@H](c3nccn3C)C3CC3)CC2)c1 ZINC000183241100 1430657801 /nfs/dbraw/zinc/65/78/01/1430657801.db2.gz JWUZNBAXIAQRCZ-QFIPXVFZSA-N 1 3 381.568 3.372 20 0 GGADHO COc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1CN1CCCCC1 ZINC000183315481 1430676781 /nfs/dbraw/zinc/67/67/81/1430676781.db2.gz LXHDBOYWPBYSIU-KRWDZBQOSA-N 1 3 394.581 3.157 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]CC2(CO)CCOCC2)cc1CN1CCCCC1 ZINC000183369630 1430692569 /nfs/dbraw/zinc/69/25/69/1430692569.db2.gz CFKUCKHZRWFIER-GOSISDBHSA-N 1 3 376.541 3.121 20 0 GGADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000183368949 1430692755 /nfs/dbraw/zinc/69/27/55/1430692755.db2.gz VCHJQPAJCJLXLX-DEOSSOPVSA-N 1 3 397.563 3.099 20 0 GGADHO COc1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1CN1CCCCC1 ZINC000183396687 1430700749 /nfs/dbraw/zinc/70/07/49/1430700749.db2.gz DLZLHGSTKANNAA-KRWDZBQOSA-N 1 3 394.581 3.157 20 0 GGADHO CCCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000183467264 1430718698 /nfs/dbraw/zinc/71/86/98/1430718698.db2.gz XHBWPUPSUNCEHV-MRXNPFEDSA-N 1 3 375.513 3.044 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000183594574 1430749628 /nfs/dbraw/zinc/74/96/28/1430749628.db2.gz YOKMQILILAMCQW-HNNXBMFYSA-N 1 3 375.513 3.043 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000183623375 1430757051 /nfs/dbraw/zinc/75/70/51/1430757051.db2.gz VQOWABWEHKAOTM-ZWKOTPCHSA-N 1 3 389.540 3.148 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000183623375 1430757058 /nfs/dbraw/zinc/75/70/58/1430757058.db2.gz VQOWABWEHKAOTM-ZWKOTPCHSA-N 1 3 389.540 3.148 20 0 GGADHO OC[C@@H](NCc1cccc(C[NH2+][C@H](CO)c2ccccc2)c1)c1ccccc1 ZINC000183664725 1430766600 /nfs/dbraw/zinc/76/66/00/1430766600.db2.gz CVCPOLJDUSDIEE-DNQXCXABSA-N 1 3 376.500 3.333 20 0 GGADHO CC(C)[C@@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000184445358 1430888671 /nfs/dbraw/zinc/88/86/71/1430888671.db2.gz DMMBYYJQPJOPJT-MOPGFXCFSA-N 1 3 378.605 3.449 20 0 GGADHO CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184599729 1430915079 /nfs/dbraw/zinc/91/50/79/1430915079.db2.gz BJQIMWHODSDLGJ-JOCHJYFZSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000184745872 1430963112 /nfs/dbraw/zinc/96/31/12/1430963112.db2.gz OFMGWLICYLINIZ-WOJBJXKFSA-N 1 3 391.559 3.318 20 0 GGADHO Cc1ccccc1CNC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184744829 1430963389 /nfs/dbraw/zinc/96/33/89/1430963389.db2.gz PCPBLRIXEDFCGW-PMACEKPBSA-N 1 3 379.548 3.357 20 0 GGADHO COc1cccc(CNC(=O)C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)c1 ZINC000184747120 1430963982 /nfs/dbraw/zinc/96/39/82/1430963982.db2.gz JMELCSHWYJKMND-RTBURBONSA-N 1 3 395.547 3.058 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1ccccc1F ZINC000184755188 1430967351 /nfs/dbraw/zinc/96/73/51/1430967351.db2.gz XJDKBVIHFOZHGG-QZTJIDSGSA-N 1 3 383.511 3.188 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NC3CC[NH+](CC(C)C)CC3)c2)CC1 ZINC000184891052 1431014127 /nfs/dbraw/zinc/01/41/27/1431014127.db2.gz XFSVHVVECZVBHP-UHFFFAOYSA-N 1 3 387.572 3.070 20 0 GGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC000184901425 1431016914 /nfs/dbraw/zinc/01/69/14/1431016914.db2.gz ARBKMRRWHHTGQO-LJQANCHMSA-N 1 3 387.572 3.024 20 0 GGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1 ZINC000184901425 1431016917 /nfs/dbraw/zinc/01/69/17/1431016917.db2.gz ARBKMRRWHHTGQO-LJQANCHMSA-N 1 3 387.572 3.024 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NCCC[NH2+]C3CCCCC3)c2)CC1 ZINC000184914513 1431019662 /nfs/dbraw/zinc/01/96/62/1431019662.db2.gz MWURGTMTVPAEPW-UHFFFAOYSA-N 1 3 387.572 3.262 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NC[C@H](C)C[NH+]3CCCCC3)c2)CC1 ZINC000184913437 1431019882 /nfs/dbraw/zinc/01/98/82/1431019882.db2.gz DBZMYMVBSFKMGU-IBGZPJMESA-N 1 3 387.572 3.072 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)c2)CC1 ZINC000184915086 1431020386 /nfs/dbraw/zinc/02/03/86/1431020386.db2.gz HDTIETZQTACJBA-UHFFFAOYSA-N 1 3 399.583 3.311 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)c2)CC1 ZINC000184915086 1431020389 /nfs/dbraw/zinc/02/03/89/1431020389.db2.gz HDTIETZQTACJBA-UHFFFAOYSA-N 1 3 399.583 3.311 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)c2)CC1 ZINC000184921270 1431022036 /nfs/dbraw/zinc/02/20/36/1431022036.db2.gz XFMUKDRCZJLAOF-NRFANRHFSA-N 1 3 399.583 3.215 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)c2)CC1 ZINC000184921270 1431022042 /nfs/dbraw/zinc/02/20/42/1431022042.db2.gz XFMUKDRCZJLAOF-NRFANRHFSA-N 1 3 399.583 3.215 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)CC[N@H+](C)C2CC2)c2cccs2)CC1 ZINC000185063239 1431052339 /nfs/dbraw/zinc/05/23/39/1431052339.db2.gz XYVIVMCENYJNBX-GOSISDBHSA-N 1 3 378.586 3.257 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)CC[N@@H+](C)C2CC2)c2cccs2)CC1 ZINC000185063239 1431052345 /nfs/dbraw/zinc/05/23/45/1431052345.db2.gz XYVIVMCENYJNBX-GOSISDBHSA-N 1 3 378.586 3.257 20 0 GGADHO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1(C)C ZINC000185242751 1431092090 /nfs/dbraw/zinc/09/20/90/1431092090.db2.gz SHEZUKZECIFXMQ-SFTDATJTSA-N 1 3 387.568 3.194 20 0 GGADHO CCOc1ccc(OC[C@H](O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185717535 1431214574 /nfs/dbraw/zinc/21/45/74/1431214574.db2.gz LNUBQHIOKIPYPD-NLWGTHIKSA-N 1 3 376.541 3.068 20 0 GGADHO CCOc1ccc(OC[C@H](O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185717535 1431214580 /nfs/dbraw/zinc/21/45/80/1431214580.db2.gz LNUBQHIOKIPYPD-NLWGTHIKSA-N 1 3 376.541 3.068 20 0 GGADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(C[NH3+])cc1 ZINC000186472180 1431429229 /nfs/dbraw/zinc/42/92/29/1431429229.db2.gz XAKIAQYHIZKJIH-OAQYLSRUSA-N 1 3 389.503 3.350 20 0 GGADHO CSc1cccc(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000186793698 1431518486 /nfs/dbraw/zinc/51/84/86/1431518486.db2.gz LGBAIJUVXNGJLJ-UHFFFAOYSA-N 1 3 376.570 3.397 20 0 GGADHO Cc1cc(Br)cc([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1[O-] ZINC000186985747 1431583202 /nfs/dbraw/zinc/58/32/02/1431583202.db2.gz HEHFPTJWKBCHJT-AWEZNQCLSA-N 1 3 384.362 3.140 20 0 GGADHO Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1[O-] ZINC000186985734 1431583239 /nfs/dbraw/zinc/58/32/39/1431583239.db2.gz HEHFPTJWKBCHJT-CQSZACIVSA-N 1 3 384.362 3.140 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000187015331 1431590787 /nfs/dbraw/zinc/59/07/87/1431590787.db2.gz FOCWKZKJJRUUIF-WKRCXCSHSA-N 1 3 393.547 3.118 20 0 GGADHO Cc1cc(Br)cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000187190701 1431641772 /nfs/dbraw/zinc/64/17/72/1431641772.db2.gz OTJCATBRLTZXAE-GOEBONIOSA-N 1 3 385.346 3.351 20 0 GGADHO Cc1cc(Br)cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000187190701 1431641775 /nfs/dbraw/zinc/64/17/75/1431641775.db2.gz OTJCATBRLTZXAE-GOEBONIOSA-N 1 3 385.346 3.351 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCSCC1 ZINC000187346936 1431704060 /nfs/dbraw/zinc/70/40/60/1431704060.db2.gz BOVMEEGGSPNZNT-QGZVFWFLSA-N 1 3 375.582 3.134 20 0 GGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187478151 1431743980 /nfs/dbraw/zinc/74/39/80/1431743980.db2.gz DKSDJZYKJQPODZ-FGZHOGPDSA-N 1 3 386.584 3.270 20 0 GGADHO CC1(C)OCc2cc(CNCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000187512330 1431753073 /nfs/dbraw/zinc/75/30/73/1431753073.db2.gz INOPBFHKMCOWEN-OAQYLSRUSA-N 1 3 382.504 3.188 20 0 GGADHO CC1(C)OCc2cc(CNCc3ccccc3C[N@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000187512330 1431753077 /nfs/dbraw/zinc/75/30/77/1431753077.db2.gz INOPBFHKMCOWEN-OAQYLSRUSA-N 1 3 382.504 3.188 20 0 GGADHO Cc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(OCC[NH+](C)C)cc3)C2=O)cc1 ZINC000189100065 1432044729 /nfs/dbraw/zinc/04/47/29/1432044729.db2.gz SEOUAZKUKGAGJA-WMZHIEFXSA-N 1 3 395.547 3.387 20 0 GGADHO C[C@@H](CC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)N1CCCCC1 ZINC000189403048 1432099324 /nfs/dbraw/zinc/09/93/24/1432099324.db2.gz XTJVSISVXLXACT-VIQWUECVSA-N 1 3 383.536 3.448 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C3(Cc4ccccc4Cl)CC3)CC2)CC1 ZINC000189499095 1432136581 /nfs/dbraw/zinc/13/65/81/1432136581.db2.gz BJIQGJOYEJHLIX-UHFFFAOYSA-N 1 3 389.971 3.338 20 0 GGADHO CC(C)N1CCN(CCC[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000189929736 1432277583 /nfs/dbraw/zinc/27/75/83/1432277583.db2.gz GMYKWASNMXZMDE-LJQANCHMSA-N 1 3 396.620 3.028 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000189950574 1432286971 /nfs/dbraw/zinc/28/69/71/1432286971.db2.gz GXFJJDMHEYKUBX-WOJBJXKFSA-N 1 3 379.548 3.391 20 0 GGADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCn1cnc2ccccc2c1=O ZINC000189959279 1432289671 /nfs/dbraw/zinc/28/96/71/1432289671.db2.gz COJAFZDZUPBNAQ-OALUTQOASA-N 1 3 390.531 3.143 20 0 GGADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCn1cnc2ccccc2c1=O ZINC000189959300 1432289787 /nfs/dbraw/zinc/28/97/87/1432289787.db2.gz COJAFZDZUPBNAQ-RTBURBONSA-N 1 3 390.531 3.143 20 0 GGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000190101897 1432319971 /nfs/dbraw/zinc/31/99/71/1432319971.db2.gz ZEYMAHLCLHDQSI-SFHVURJKSA-N 1 3 378.586 3.402 20 0 GGADHO C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000190420077 1432378290 /nfs/dbraw/zinc/37/82/90/1432378290.db2.gz LKVCRBJDRXSLEF-JOCHJYFZSA-N 1 3 396.535 3.161 20 0 GGADHO CCOC(=O)C1CCC(O)(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000190892187 1432521478 /nfs/dbraw/zinc/52/14/78/1432521478.db2.gz MJLODTVIBUGZMX-YDPTZXBUSA-N 1 3 380.573 3.057 20 0 GGADHO CCOC(=O)C1CCC(O)(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000190892187 1432521484 /nfs/dbraw/zinc/52/14/84/1432521484.db2.gz MJLODTVIBUGZMX-YDPTZXBUSA-N 1 3 380.573 3.057 20 0 GGADHO CC[NH+]1CCN(c2cccc(NC3CCN(Cc4ccncc4)CC3)c2)CC1 ZINC000190968291 1432539863 /nfs/dbraw/zinc/53/98/63/1432539863.db2.gz DQIWAKQMBXMNLN-UHFFFAOYSA-N 1 3 379.552 3.300 20 0 GGADHO COc1ccc([C@@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1OC ZINC000191391555 1432649760 /nfs/dbraw/zinc/64/97/60/1432649760.db2.gz IDWRGRURFWUEKW-FQEVSTJZSA-N 1 3 375.557 3.257 20 0 GGADHO COc1ccc([C@@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1OC ZINC000191391555 1432649769 /nfs/dbraw/zinc/64/97/69/1432649769.db2.gz IDWRGRURFWUEKW-FQEVSTJZSA-N 1 3 375.557 3.257 20 0 GGADHO COC(=O)[C@@](C)(CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000191586125 1432687897 /nfs/dbraw/zinc/68/78/97/1432687897.db2.gz WBBCAVCMDNBDSL-DEOSSOPVSA-N 1 3 380.532 3.414 20 0 GGADHO CC(C)N1CC[NH+](CCCN2CCN(c3ccc(F)cc3Cl)CC2)CC1 ZINC000191597876 1432689354 /nfs/dbraw/zinc/68/93/54/1432689354.db2.gz BJVDTNLSQUDNQD-UHFFFAOYSA-N 1 3 382.955 3.017 20 0 GGADHO C[C@@H](Oc1cccc2ccccc21)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000192469315 1432848494 /nfs/dbraw/zinc/84/84/94/1432848494.db2.gz HJHFHSAJEBHCCM-GOSISDBHSA-N 1 3 395.547 3.282 20 0 GGADHO COc1cc(SC)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000192684876 1432875167 /nfs/dbraw/zinc/87/51/67/1432875167.db2.gz UYVQPTAJGGFMLW-UHFFFAOYSA-N 1 3 392.569 3.097 20 0 GGADHO COc1cc(CN(C)CCCN2CC[NH+](C(C)C)CC2)c(SC)cc1OC ZINC000192745504 1432883910 /nfs/dbraw/zinc/88/39/10/1432883910.db2.gz ZUQGTGDMMWWEPV-UHFFFAOYSA-N 1 3 395.613 3.274 20 0 GGADHO O=C(Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000192763074 1432886458 /nfs/dbraw/zinc/88/64/58/1432886458.db2.gz UHKNUBMGDPMUDF-OAQYLSRUSA-N 1 3 393.535 3.143 20 0 GGADHO CC(C)[NH+]1CCN(CCCN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)CC1 ZINC000192773393 1432888439 /nfs/dbraw/zinc/88/84/39/1432888439.db2.gz SBKHAHLZZDJARS-UHFFFAOYSA-N 1 3 392.563 3.281 20 0 GGADHO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)CCC2 ZINC000192823724 1432895072 /nfs/dbraw/zinc/89/50/72/1432895072.db2.gz CFVSOEDQZJDDQI-FUHWJXTLSA-N 1 3 391.556 3.005 20 0 GGADHO COc1cccc([C@@H](CNC(=O)NCCC[NH+]2CCCCC2)N2CCCC2)c1 ZINC000193093269 1432935044 /nfs/dbraw/zinc/93/50/44/1432935044.db2.gz PJZIAEWELLWEER-OAQYLSRUSA-N 1 3 388.556 3.007 20 0 GGADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193831964 1433068596 /nfs/dbraw/zinc/06/85/96/1433068596.db2.gz VUONUALTXFLTGV-UHFFFAOYSA-N 1 3 378.536 3.162 20 0 GGADHO CC(C)(C)[NH+]1CCC(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 ZINC000193836201 1433069694 /nfs/dbraw/zinc/06/96/94/1433069694.db2.gz UJKXLCRXSDTIJV-UHFFFAOYSA-N 1 3 386.584 3.385 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193926450 1433085898 /nfs/dbraw/zinc/08/58/98/1433085898.db2.gz RXDIFRLJCQNKJU-UNMCSNQZSA-N 1 3 380.536 3.111 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193926450 1433085901 /nfs/dbraw/zinc/08/59/01/1433085901.db2.gz RXDIFRLJCQNKJU-UNMCSNQZSA-N 1 3 380.536 3.111 20 0 GGADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193981595 1433095888 /nfs/dbraw/zinc/09/58/88/1433095888.db2.gz FUDVQJLULICTRO-XPWALMASSA-N 1 3 383.580 3.132 20 0 GGADHO Cc1cccn2cc(COc3ccc(C[N@@H+]4C[C@H]5CN(C)C[C@H]5C4)cc3)nc12 ZINC000194535989 1433193940 /nfs/dbraw/zinc/19/39/40/1433193940.db2.gz GGLFUDGAJXYQSK-BGYRXZFFSA-N 1 3 376.504 3.215 20 0 GGADHO Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@H]5CN(C)C[C@H]5C4)cc3)nc12 ZINC000194535989 1433193943 /nfs/dbraw/zinc/19/39/43/1433193943.db2.gz GGLFUDGAJXYQSK-BGYRXZFFSA-N 1 3 376.504 3.215 20 0 GGADHO O=C(NCCC[NH+]1CCCCC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000194649056 1433210976 /nfs/dbraw/zinc/21/09/76/1433210976.db2.gz YYERJRNMZGPXTP-UHFFFAOYSA-N 1 3 390.597 3.275 20 0 GGADHO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000195136950 1433297733 /nfs/dbraw/zinc/29/77/33/1433297733.db2.gz SAKUSQFROFNARG-HKUYNNGSSA-N 1 3 387.549 3.231 20 0 GGADHO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000195136950 1433297737 /nfs/dbraw/zinc/29/77/37/1433297737.db2.gz SAKUSQFROFNARG-HKUYNNGSSA-N 1 3 387.549 3.231 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3nc4c(s3)CCCCC4)CC2)CC1 ZINC000195269689 1433313990 /nfs/dbraw/zinc/31/39/90/1433313990.db2.gz ADXYKPBXNTYJQD-UHFFFAOYSA-N 1 3 391.585 3.092 20 0 GGADHO CC(C)OCc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195343875 1433321132 /nfs/dbraw/zinc/32/11/32/1433321132.db2.gz APNIQQDUXCOBPD-UHFFFAOYSA-N 1 3 388.556 3.292 20 0 GGADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000195383416 1433324660 /nfs/dbraw/zinc/32/46/60/1433324660.db2.gz AVKOMSMSZJSOSS-UHFFFAOYSA-N 1 3 396.526 3.301 20 0 GGADHO c1nc2ccccn2c1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000236698451 1433376560 /nfs/dbraw/zinc/37/65/60/1433376560.db2.gz IVLSLRBFYAFKBZ-UHFFFAOYSA-N 1 3 377.536 3.022 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000236849293 1433381003 /nfs/dbraw/zinc/38/10/03/1433381003.db2.gz WNLQRNATWWJJJK-IBGZPJMESA-N 1 3 377.536 3.141 20 0 GGADHO CCN(CC)[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236876770 1433381736 /nfs/dbraw/zinc/38/17/36/1433381736.db2.gz ABIGKGYUEKFVFF-DYESRHJHSA-N 1 3 375.557 3.220 20 0 GGADHO CCc1ccc([C@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)N(C)C)cc1 ZINC000236975889 1433384589 /nfs/dbraw/zinc/38/45/89/1433384589.db2.gz WJCVEFQYLJFWJK-QFIPXVFZSA-N 1 3 379.548 3.289 20 0 GGADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)C[C@H](N)c3ccccc3)cc2)CC1 ZINC000237095388 1433388711 /nfs/dbraw/zinc/38/87/11/1433388711.db2.gz QGVULWXEQDBIBX-QFIPXVFZSA-N 1 3 380.536 3.493 20 0 GGADHO C[N@H+](CCOc1cccc(CNCc2cnc3ccccn23)c1)C1CCOCC1 ZINC000237205660 1433392652 /nfs/dbraw/zinc/39/26/52/1433392652.db2.gz ULHXXMMHKAHJPZ-UHFFFAOYSA-N 1 3 394.519 3.114 20 0 GGADHO C[N@@H+](CCOc1cccc(CNCc2cnc3ccccn23)c1)C1CCOCC1 ZINC000237205660 1433392656 /nfs/dbraw/zinc/39/26/56/1433392656.db2.gz ULHXXMMHKAHJPZ-UHFFFAOYSA-N 1 3 394.519 3.114 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@H](C)O1 ZINC000237404102 1433401134 /nfs/dbraw/zinc/40/11/34/1433401134.db2.gz ZVRBATKKGCSGPL-KNKQGSTJSA-N 1 3 376.541 3.223 20 0 GGADHO C[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000237405336 1433401408 /nfs/dbraw/zinc/40/14/08/1433401408.db2.gz XYFXYWVBQZBIES-LJQANCHMSA-N 1 3 383.580 3.320 20 0 GGADHO [NH3+]C[C@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000237813857 1433425684 /nfs/dbraw/zinc/42/56/84/1433425684.db2.gz FMQPQUHPUCEQJK-FQEVSTJZSA-N 1 3 385.939 3.411 20 0 GGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237974553 1433437748 /nfs/dbraw/zinc/43/77/48/1433437748.db2.gz VFMAMGNFTQUISB-IBGZPJMESA-N 1 3 383.561 3.323 20 0 GGADHO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000245566988 1433486194 /nfs/dbraw/zinc/48/61/94/1433486194.db2.gz RNEGHJQYKFLIAE-AUSIDOKSSA-N 1 3 379.552 3.156 20 0 GGADHO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(N2CCN(C)CC2)cc1 ZINC000245566988 1433486200 /nfs/dbraw/zinc/48/62/00/1433486200.db2.gz RNEGHJQYKFLIAE-AUSIDOKSSA-N 1 3 379.552 3.156 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000245639990 1433494104 /nfs/dbraw/zinc/49/41/04/1433494104.db2.gz DCHVEVSJNTUGGX-UZKOGDIHSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000245639990 1433494105 /nfs/dbraw/zinc/49/41/05/1433494105.db2.gz DCHVEVSJNTUGGX-UZKOGDIHSA-N 1 3 384.568 3.165 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)N2CCCC2)cc1 ZINC000245883738 1433533980 /nfs/dbraw/zinc/53/39/80/1433533980.db2.gz BJRPSJNXXCDJBL-VSKRKVRLSA-N 1 3 384.568 3.258 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)N2CCCC2)cc1 ZINC000245883738 1433533985 /nfs/dbraw/zinc/53/39/85/1433533985.db2.gz BJRPSJNXXCDJBL-VSKRKVRLSA-N 1 3 384.568 3.258 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000245921498 1433543668 /nfs/dbraw/zinc/54/36/68/1433543668.db2.gz GQYBVWUZETWVKM-MOPGFXCFSA-N 1 3 387.572 3.027 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000245921498 1433543672 /nfs/dbraw/zinc/54/36/72/1433543672.db2.gz GQYBVWUZETWVKM-MOPGFXCFSA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245945970 1433548862 /nfs/dbraw/zinc/54/88/62/1433548862.db2.gz NVEFXRXRTFUFDA-GUDVDZBRSA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000245945970 1433548867 /nfs/dbraw/zinc/54/88/67/1433548867.db2.gz NVEFXRXRTFUFDA-GUDVDZBRSA-N 1 3 387.572 3.027 20 0 GGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000245972605 1433552384 /nfs/dbraw/zinc/55/23/84/1433552384.db2.gz OGFJMDJXDLQUSU-KZNAEPCWSA-N 1 3 376.570 3.011 20 0 GGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000245972605 1433552385 /nfs/dbraw/zinc/55/23/85/1433552385.db2.gz OGFJMDJXDLQUSU-KZNAEPCWSA-N 1 3 376.570 3.011 20 0 GGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000246041578 1433560594 /nfs/dbraw/zinc/56/05/94/1433560594.db2.gz NZUMESYTYITNCV-DUXKGJEZSA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000246041578 1433560595 /nfs/dbraw/zinc/56/05/95/1433560595.db2.gz NZUMESYTYITNCV-DUXKGJEZSA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000246135209 1433573120 /nfs/dbraw/zinc/57/31/20/1433573120.db2.gz BHRYCJULUIGJSK-HROGELHOSA-N 1 3 384.568 3.306 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CN1C1CC1 ZINC000246135209 1433573122 /nfs/dbraw/zinc/57/31/22/1433573122.db2.gz BHRYCJULUIGJSK-HROGELHOSA-N 1 3 384.568 3.306 20 0 GGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000246139998 1433573731 /nfs/dbraw/zinc/57/37/31/1433573731.db2.gz JLMMMDIDAMSHSJ-ZWKOTPCHSA-N 1 3 378.586 3.401 20 0 GGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000246139998 1433573733 /nfs/dbraw/zinc/57/37/33/1433573733.db2.gz JLMMMDIDAMSHSJ-ZWKOTPCHSA-N 1 3 378.586 3.401 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000246364932 1433600929 /nfs/dbraw/zinc/60/09/29/1433600929.db2.gz HNEPDHXMJHKCQS-OXFYSEKESA-N 1 3 395.469 3.182 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000246364932 1433600932 /nfs/dbraw/zinc/60/09/32/1433600932.db2.gz HNEPDHXMJHKCQS-OXFYSEKESA-N 1 3 395.469 3.182 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000246364939 1433601160 /nfs/dbraw/zinc/60/11/60/1433601160.db2.gz HNEPDHXMJHKCQS-WRWLIDTKSA-N 1 3 395.469 3.182 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000246364939 1433601162 /nfs/dbraw/zinc/60/11/62/1433601162.db2.gz HNEPDHXMJHKCQS-WRWLIDTKSA-N 1 3 395.469 3.182 20 0 GGADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc(OC)c1OC ZINC000246496230 1433621074 /nfs/dbraw/zinc/62/10/74/1433621074.db2.gz SGDUUIYRVZSBCZ-ZYSHUDEJSA-N 1 3 392.540 3.131 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CN1Cc1ccccc1 ZINC000246510328 1433623407 /nfs/dbraw/zinc/62/34/07/1433623407.db2.gz UAGPMPAUDJHMIR-ANZJIFDASA-N 1 3 396.579 3.308 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CN1Cc1ccccc1 ZINC000246510328 1433623414 /nfs/dbraw/zinc/62/34/14/1433623414.db2.gz UAGPMPAUDJHMIR-ANZJIFDASA-N 1 3 396.579 3.308 20 0 GGADHO Clc1ccccc1N1CCN(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246731072 1433656630 /nfs/dbraw/zinc/65/66/30/1433656630.db2.gz NYFLIZYQNZQXTQ-OALUTQOASA-N 1 3 376.976 3.069 20 0 GGADHO Clc1ccccc1N1CCN(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246731072 1433656633 /nfs/dbraw/zinc/65/66/33/1433656633.db2.gz NYFLIZYQNZQXTQ-OALUTQOASA-N 1 3 376.976 3.069 20 0 GGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246900185 1433684497 /nfs/dbraw/zinc/68/44/97/1433684497.db2.gz XPXNHSZBASBEJE-SFTDATJTSA-N 1 3 387.543 3.372 20 0 GGADHO CN1CCC[N@H+](CCCNCc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000247474846 1433726927 /nfs/dbraw/zinc/72/69/27/1433726927.db2.gz SWBNWJLNIGPMPX-HXUWFJFHSA-N 1 3 395.975 3.015 20 0 GGADHO CN1CCC[N@@H+](CCCNCc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000247474846 1433726936 /nfs/dbraw/zinc/72/69/36/1433726936.db2.gz SWBNWJLNIGPMPX-HXUWFJFHSA-N 1 3 395.975 3.015 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000247523717 1433733334 /nfs/dbraw/zinc/73/33/34/1433733334.db2.gz ZHBRPRWXHFPQSG-RBBKRZOGSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000247523717 1433733342 /nfs/dbraw/zinc/73/33/42/1433733342.db2.gz ZHBRPRWXHFPQSG-RBBKRZOGSA-N 1 3 386.584 3.270 20 0 GGADHO Cc1ccc2c(c1)[C@@H](NCc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000248137794 1433773169 /nfs/dbraw/zinc/77/31/69/1433773169.db2.gz PFYBIDBZJXSQDT-GGAORHGYSA-N 1 3 377.532 3.469 20 0 GGADHO Cc1ccc2c(c1)[C@@H](NCc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000248137794 1433773172 /nfs/dbraw/zinc/77/31/72/1433773172.db2.gz PFYBIDBZJXSQDT-GGAORHGYSA-N 1 3 377.532 3.469 20 0 GGADHO CCCN1CCCC[C@H]1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000248179717 1433777860 /nfs/dbraw/zinc/77/78/60/1433777860.db2.gz XTEZLAOGMPMVBA-LEWJYISDSA-N 1 3 375.557 3.459 20 0 GGADHO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000248390011 1433793512 /nfs/dbraw/zinc/79/35/12/1433793512.db2.gz BEJUDJGXKRTVJJ-RBZQAINGSA-N 1 3 391.559 3.479 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248401640 1433797908 /nfs/dbraw/zinc/79/79/08/1433797908.db2.gz MCSNBCXAGIQPQP-SBHAEUEKSA-N 1 3 386.584 3.459 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248401640 1433797913 /nfs/dbraw/zinc/79/79/13/1433797913.db2.gz MCSNBCXAGIQPQP-SBHAEUEKSA-N 1 3 386.584 3.459 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248401641 1433798101 /nfs/dbraw/zinc/79/81/01/1433798101.db2.gz MCSNBCXAGIQPQP-SFHLNBCPSA-N 1 3 386.584 3.459 20 0 GGADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248401641 1433798105 /nfs/dbraw/zinc/79/81/05/1433798105.db2.gz MCSNBCXAGIQPQP-SFHLNBCPSA-N 1 3 386.584 3.459 20 0 GGADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000248455544 1433804079 /nfs/dbraw/zinc/80/40/79/1433804079.db2.gz RNVLDLPOAWARMS-NHCUHLMSSA-N 1 3 382.504 3.265 20 0 GGADHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000248455544 1433804080 /nfs/dbraw/zinc/80/40/80/1433804080.db2.gz RNVLDLPOAWARMS-NHCUHLMSSA-N 1 3 382.504 3.265 20 0 GGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248770467 1433821560 /nfs/dbraw/zinc/82/15/60/1433821560.db2.gz XZHFBWIJJYYLOB-GUDVDZBRSA-N 1 3 383.577 3.111 20 0 GGADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000248799124 1433822986 /nfs/dbraw/zinc/82/29/86/1433822986.db2.gz JNNIVLQSKPBMBO-PGRDOPGGSA-N 1 3 384.568 3.213 20 0 GGADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000248855246 1433826157 /nfs/dbraw/zinc/82/61/57/1433826157.db2.gz VWCHSXOCSAJOQX-GMAHTHKFSA-N 1 3 399.579 3.048 20 0 GGADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000248855246 1433826158 /nfs/dbraw/zinc/82/61/58/1433826158.db2.gz VWCHSXOCSAJOQX-GMAHTHKFSA-N 1 3 399.579 3.048 20 0 GGADHO O=C1c2ccccc2CCN1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248884415 1433827625 /nfs/dbraw/zinc/82/76/25/1433827625.db2.gz LQEYWDICFKEMTK-WBDAEOGXSA-N 1 3 389.543 3.470 20 0 GGADHO O=C1c2ccccc2CCN1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248884415 1433827627 /nfs/dbraw/zinc/82/76/27/1433827627.db2.gz LQEYWDICFKEMTK-WBDAEOGXSA-N 1 3 389.543 3.470 20 0 GGADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000248917237 1433829459 /nfs/dbraw/zinc/82/94/59/1433829459.db2.gz DKSDJZYKJQPODZ-VXKWHMMOSA-N 1 3 386.584 3.270 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NCc2ccccc2Cl)[C@@H](C)C1 ZINC000249416513 1433843391 /nfs/dbraw/zinc/84/33/91/1433843391.db2.gz GOWQWCDNCJZXRE-ZWOKBUDYSA-N 1 3 395.975 3.071 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000249442488 1433843965 /nfs/dbraw/zinc/84/39/65/1433843965.db2.gz MMMZMEPGJQABJV-ZWOKBUDYSA-N 1 3 395.975 3.071 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000249442486 1433844005 /nfs/dbraw/zinc/84/40/05/1433844005.db2.gz MMMZMEPGJQABJV-HLIPFELVSA-N 1 3 395.975 3.071 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[C@H](C)C1 ZINC000249461964 1433844363 /nfs/dbraw/zinc/84/43/63/1433844363.db2.gz QZQMFDUXDLLVRI-LDIYZUBKSA-N 1 3 381.605 3.042 20 0 GGADHO CC(C)C[C@@H]1OCCC[C@@H]1NCC1(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)COC1 ZINC000249487893 1433844860 /nfs/dbraw/zinc/84/48/60/1433844860.db2.gz YPEIMVSPXDNZPX-CMOCDZPBSA-N 1 3 396.616 3.370 20 0 GGADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249510842 1433845656 /nfs/dbraw/zinc/84/56/56/1433845656.db2.gz ZVXWMIKCGNVJBV-LPHOPBHVSA-N 1 3 381.948 3.395 20 0 GGADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249510842 1433845657 /nfs/dbraw/zinc/84/56/57/1433845657.db2.gz ZVXWMIKCGNVJBV-LPHOPBHVSA-N 1 3 381.948 3.395 20 0 GGADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000249754373 1433851075 /nfs/dbraw/zinc/85/10/75/1433851075.db2.gz CLRYFYIOGGPCOF-OTWHNJEPSA-N 1 3 390.572 3.252 20 0 GGADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000249754373 1433851076 /nfs/dbraw/zinc/85/10/76/1433851076.db2.gz CLRYFYIOGGPCOF-OTWHNJEPSA-N 1 3 390.572 3.252 20 0 GGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000252094692 1433862703 /nfs/dbraw/zinc/86/27/03/1433862703.db2.gz FGQIGYXLQXHLCC-FGTMMUONSA-N 1 3 378.586 3.305 20 0 GGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000252094692 1433862704 /nfs/dbraw/zinc/86/27/04/1433862704.db2.gz FGQIGYXLQXHLCC-FGTMMUONSA-N 1 3 378.586 3.305 20 0 GGADHO C/C=C\c1ccc(OC[C@@H](O)C[N@@H+](C)C2CCN(CCC)CC2)c(OC)c1 ZINC000255324691 1433880389 /nfs/dbraw/zinc/88/03/89/1433880389.db2.gz VDBUEFXHNZNCJK-BPJPHKDRSA-N 1 3 376.541 3.274 20 0 GGADHO C/C=C\c1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(CCC)CC2)c(OC)c1 ZINC000255324691 1433880390 /nfs/dbraw/zinc/88/03/90/1433880390.db2.gz VDBUEFXHNZNCJK-BPJPHKDRSA-N 1 3 376.541 3.274 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC/C=C\c3ccc(F)cc3)c2)C1 ZINC000255571060 1433885559 /nfs/dbraw/zinc/88/55/59/1433885559.db2.gz NZDXSAIOMSXZMQ-KGRKVLGDSA-N 1 3 381.495 3.326 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC/C=C\c3ccc(F)cc3)c2)C1 ZINC000255571060 1433885560 /nfs/dbraw/zinc/88/55/60/1433885560.db2.gz NZDXSAIOMSXZMQ-KGRKVLGDSA-N 1 3 381.495 3.326 20 0 GGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C/C=C\c2ccc(F)cc2)CC1 ZINC000255589379 1433886145 /nfs/dbraw/zinc/88/61/45/1433886145.db2.gz UUXDYYLVLVEION-WAYWQWQTSA-N 1 3 375.532 3.255 20 0 GGADHO CC[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCc2ccccc2C1 ZINC000261479712 1433896842 /nfs/dbraw/zinc/89/68/42/1433896842.db2.gz ZXVYQMWRAZYYNP-SFTDATJTSA-N 1 3 384.568 3.139 20 0 GGADHO CC[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCc2ccccc2C1 ZINC000261479712 1433896844 /nfs/dbraw/zinc/89/68/44/1433896844.db2.gz ZXVYQMWRAZYYNP-SFTDATJTSA-N 1 3 384.568 3.139 20 0 GGADHO CC[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCc2ccccc2C1 ZINC000261479706 1433896855 /nfs/dbraw/zinc/89/68/55/1433896855.db2.gz ZXVYQMWRAZYYNP-LEWJYISDSA-N 1 3 384.568 3.139 20 0 GGADHO CC[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCc2ccccc2C1 ZINC000261479706 1433896856 /nfs/dbraw/zinc/89/68/56/1433896856.db2.gz ZXVYQMWRAZYYNP-LEWJYISDSA-N 1 3 384.568 3.139 20 0 GGADHO C[NH2+]CCC1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000262102851 1433926916 /nfs/dbraw/zinc/92/69/16/1433926916.db2.gz SZNYVUYEJWAXHG-FQEVSTJZSA-N 1 3 397.485 3.289 20 0 GGADHO C[NH2+]CCC1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000262102855 1433927288 /nfs/dbraw/zinc/92/72/88/1433927288.db2.gz SZNYVUYEJWAXHG-HXUWFJFHSA-N 1 3 397.485 3.289 20 0 GGADHO COc1ccccc1-c1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000262120315 1433927583 /nfs/dbraw/zinc/92/75/83/1433927583.db2.gz XEWWFBFUTKAGSY-HXUWFJFHSA-N 1 3 381.520 3.182 20 0 GGADHO O=C(Nc1cccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1)c1ccc(Cl)cc1 ZINC000262136789 1433928204 /nfs/dbraw/zinc/92/82/04/1433928204.db2.gz OTZLQYCYZAXSGH-NRFANRHFSA-N 1 3 398.938 3.072 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1(C)C ZINC000262752397 1433954037 /nfs/dbraw/zinc/95/40/37/1433954037.db2.gz ACTVHYKREJXHJN-XTQVGHSUSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1(C)C ZINC000262752397 1433954038 /nfs/dbraw/zinc/95/40/38/1433954038.db2.gz ACTVHYKREJXHJN-XTQVGHSUSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1(C)C ZINC000262762680 1433954436 /nfs/dbraw/zinc/95/44/36/1433954436.db2.gz DSGHPKFOJDVBST-WGGBDISSSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1(C)C ZINC000262762680 1433954439 /nfs/dbraw/zinc/95/44/39/1433954439.db2.gz DSGHPKFOJDVBST-WGGBDISSSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1(C)C ZINC000262771793 1433955138 /nfs/dbraw/zinc/95/51/38/1433955138.db2.gz IABDAYXGHQHQKD-OFNKIYASSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1(C)C ZINC000262796218 1433956925 /nfs/dbraw/zinc/95/69/25/1433956925.db2.gz PPBYINUJIRFNRG-OFNKIYASSA-N 1 3 387.568 3.211 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1(C)C ZINC000262816461 1433958430 /nfs/dbraw/zinc/95/84/30/1433958430.db2.gz WWJKYRHKIMRFMD-LLBVYWAGSA-N 1 3 387.568 3.210 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1(C)C ZINC000262816461 1433958431 /nfs/dbraw/zinc/95/84/31/1433958431.db2.gz WWJKYRHKIMRFMD-LLBVYWAGSA-N 1 3 387.568 3.210 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1(C)C ZINC000262816468 1433958496 /nfs/dbraw/zinc/95/84/96/1433958496.db2.gz WWJKYRHKIMRFMD-XTQVGHSUSA-N 1 3 387.568 3.210 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1(C)C ZINC000262816468 1433958501 /nfs/dbraw/zinc/95/85/01/1433958501.db2.gz WWJKYRHKIMRFMD-XTQVGHSUSA-N 1 3 387.568 3.210 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1(C)C ZINC000262818696 1433958682 /nfs/dbraw/zinc/95/86/82/1433958682.db2.gz XNWDYUHYYWOLLE-WGGBDISSSA-N 1 3 387.568 3.210 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1(C)C ZINC000262818696 1433958683 /nfs/dbraw/zinc/95/86/83/1433958683.db2.gz XNWDYUHYYWOLLE-WGGBDISSSA-N 1 3 387.568 3.210 20 0 GGADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000263168284 1433991567 /nfs/dbraw/zinc/99/15/67/1433991567.db2.gz FMEFWMPBRCHMGL-FPOVZHCZSA-N 1 3 393.959 3.207 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000263752335 1434029454 /nfs/dbraw/zinc/02/94/54/1434029454.db2.gz FTQQBLZYWLXITK-QHCPKHFHSA-N 1 3 398.595 3.352 20 0 GGADHO CC(C)N(Cc1cccs1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000263770396 1434031685 /nfs/dbraw/zinc/03/16/85/1434031685.db2.gz TVWHEEHGHKAXHY-UHFFFAOYSA-N 1 3 378.586 3.227 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)c(C)c2)CC1 ZINC000264637641 1434138300 /nfs/dbraw/zinc/13/83/00/1434138300.db2.gz VEZQLVCVKNTMLK-NRFANRHFSA-N 1 3 399.583 3.229 20 0 GGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000266426786 1434334783 /nfs/dbraw/zinc/33/47/83/1434334783.db2.gz RFVVGWWUFMPIMS-QUCCMNQESA-N 1 3 397.485 3.241 20 0 GGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000266426786 1434334784 /nfs/dbraw/zinc/33/47/84/1434334784.db2.gz RFVVGWWUFMPIMS-QUCCMNQESA-N 1 3 397.485 3.241 20 0 GGADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000266426788 1434334841 /nfs/dbraw/zinc/33/48/41/1434334841.db2.gz RFVVGWWUFMPIMS-UYAOXDASSA-N 1 3 397.485 3.241 20 0 GGADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000266426788 1434334843 /nfs/dbraw/zinc/33/48/43/1434334843.db2.gz RFVVGWWUFMPIMS-UYAOXDASSA-N 1 3 397.485 3.241 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000266708216 1434365869 /nfs/dbraw/zinc/36/58/69/1434365869.db2.gz HUGRFXMCISQEON-FQEVSTJZSA-N 1 3 390.959 3.355 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCc4c3cccc4F)c2)C1 ZINC000267078590 1434405969 /nfs/dbraw/zinc/40/59/69/1434405969.db2.gz UNPPQRIRBSDWRF-GCJKJVERSA-N 1 3 381.495 3.300 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCc4c3cccc4F)c2)C1 ZINC000267078590 1434405972 /nfs/dbraw/zinc/40/59/72/1434405972.db2.gz UNPPQRIRBSDWRF-GCJKJVERSA-N 1 3 381.495 3.300 20 0 GGADHO CCC[NH+](CCC)CCCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000267108202 1434407823 /nfs/dbraw/zinc/40/78/23/1434407823.db2.gz QLLGUEJCHOZICS-UHFFFAOYSA-N 1 3 389.584 3.162 20 0 GGADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000267407977 1434429914 /nfs/dbraw/zinc/42/99/14/1434429914.db2.gz YNMYVBFEWXKULL-UHFFFAOYSA-N 1 3 390.547 3.306 20 0 GGADHO Cc1cc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1F ZINC000267639240 1434451919 /nfs/dbraw/zinc/45/19/19/1434451919.db2.gz AIHXCYVXLWLTDB-MRXNPFEDSA-N 1 3 376.520 3.053 20 0 GGADHO C[C@H]1C[C@H](NCc2ccccc2Cn2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC000268760190 1434553751 /nfs/dbraw/zinc/55/37/51/1434553751.db2.gz LAXSMLHOXQQMMD-WMZHIEFXSA-N 1 3 375.520 3.469 20 0 GGADHO C[C@H]1C[C@H](NCc2ccccc2Cn2cncn2)CC[N@H+]1Cc1ccccc1 ZINC000268760190 1434553755 /nfs/dbraw/zinc/55/37/55/1434553755.db2.gz LAXSMLHOXQQMMD-WMZHIEFXSA-N 1 3 375.520 3.469 20 0 GGADHO COc1ccc(OC)c([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268770894 1434555194 /nfs/dbraw/zinc/55/51/94/1434555194.db2.gz SLCGIONEMPONKH-VOQZNFBZSA-N 1 3 384.520 3.237 20 0 GGADHO COc1ccc(OC)c([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268770894 1434555197 /nfs/dbraw/zinc/55/51/97/1434555197.db2.gz SLCGIONEMPONKH-VOQZNFBZSA-N 1 3 384.520 3.237 20 0 GGADHO C[C@H]1C[C@H](NCc2ccc(Cn3cncn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268775919 1434555980 /nfs/dbraw/zinc/55/59/80/1434555980.db2.gz VVJFGFBGSGUKAL-WMZHIEFXSA-N 1 3 375.520 3.469 20 0 GGADHO C[C@H]1C[C@H](NCc2ccc(Cn3cncn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268775919 1434555983 /nfs/dbraw/zinc/55/59/83/1434555983.db2.gz VVJFGFBGSGUKAL-WMZHIEFXSA-N 1 3 375.520 3.469 20 0 GGADHO CC[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000268815683 1434560572 /nfs/dbraw/zinc/56/05/72/1434560572.db2.gz FLRNAOBPJQMWCT-HXUWFJFHSA-N 1 3 399.535 3.236 20 0 GGADHO C[C@@H]1C[C@@H](NCc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268839552 1434563418 /nfs/dbraw/zinc/56/34/18/1434563418.db2.gz QMSRHMPWNJLMAT-UTKZUKDTSA-N 1 3 387.549 3.201 20 0 GGADHO C[C@@H]1C[C@@H](NCc2ccc(NS(C)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268839552 1434563422 /nfs/dbraw/zinc/56/34/22/1434563422.db2.gz QMSRHMPWNJLMAT-UTKZUKDTSA-N 1 3 387.549 3.201 20 0 GGADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)c1cccc(N2CCOCC2)c1 ZINC000268862859 1434565608 /nfs/dbraw/zinc/56/56/08/1434565608.db2.gz CDMLUNCCQZPIAL-IBGZPJMESA-N 1 3 383.536 3.314 20 0 GGADHO COc1cccc2c1CC[C@@H]2NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268875024 1434566951 /nfs/dbraw/zinc/56/69/51/1434566951.db2.gz GTWFUXVZLQCRDP-KNQAVFIVSA-N 1 3 393.531 3.170 20 0 GGADHO COc1cccc2c1CC[C@@H]2NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268875024 1434566954 /nfs/dbraw/zinc/56/69/54/1434566954.db2.gz GTWFUXVZLQCRDP-KNQAVFIVSA-N 1 3 393.531 3.170 20 0 GGADHO COCCOc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000268877739 1434567288 /nfs/dbraw/zinc/56/72/88/1434567288.db2.gz ZELPYGYSMIVVBB-CEXWTWQISA-N 1 3 394.556 3.260 20 0 GGADHO COCCOc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000268877740 1434567332 /nfs/dbraw/zinc/56/73/32/1434567332.db2.gz ZELPYGYSMIVVBB-FHWLQOOXSA-N 1 3 394.556 3.260 20 0 GGADHO COc1ccc(C[C@H]([NH2+]CC2(O)CCN(C)CC2)c2ccc(OC)cc2)cc1 ZINC000268970605 1434577018 /nfs/dbraw/zinc/57/70/18/1434577018.db2.gz ICEOZYAACIDBBV-QFIPXVFZSA-N 1 3 384.520 3.034 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000268985546 1434578796 /nfs/dbraw/zinc/57/87/96/1434578796.db2.gz FLQHKUNUAKABRD-ROUUACIJSA-N 1 3 388.556 3.368 20 0 GGADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000269059278 1434586448 /nfs/dbraw/zinc/58/64/48/1434586448.db2.gz SZTXBOLXHJPHDA-INIZCTEOSA-N 1 3 375.513 3.373 20 0 GGADHO CC[NH+](CC)CCOc1ccc(CNCc2cccc3nccn32)cc1OC ZINC000271330110 1434816540 /nfs/dbraw/zinc/81/65/40/1434816540.db2.gz ZQFATJZEHHRIMY-UHFFFAOYSA-N 1 3 382.508 3.353 20 0 GGADHO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272160669 1434875464 /nfs/dbraw/zinc/87/54/64/1434875464.db2.gz DMBSQJVDVIMLFY-RYQLBKOJSA-N 1 3 383.458 3.040 20 0 GGADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000272449721 1434897214 /nfs/dbraw/zinc/89/72/14/1434897214.db2.gz PLOGFYPPXJBGNS-WIYYLYMNSA-N 1 3 386.540 3.109 20 0 GGADHO COCC[NH+]1CCC(N[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC000272508465 1434901854 /nfs/dbraw/zinc/90/18/54/1434901854.db2.gz FWEYALOVFFIKFP-WOJBJXKFSA-N 1 3 389.540 3.398 20 0 GGADHO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272686436 1434922652 /nfs/dbraw/zinc/92/26/52/1434922652.db2.gz UNWGLYNNFYCCGM-AEFFLSMTSA-N 1 3 387.474 3.195 20 0 GGADHO C[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272686440 1434922691 /nfs/dbraw/zinc/92/26/91/1434922691.db2.gz UNWGLYNNFYCCGM-SJLPKXTDSA-N 1 3 387.474 3.195 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272691942 1434923297 /nfs/dbraw/zinc/92/32/97/1434923297.db2.gz WBSJSBDAYPEPIE-QTEQDKRBSA-N 1 3 394.563 3.307 20 0 GGADHO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272762070 1434929029 /nfs/dbraw/zinc/92/90/29/1434929029.db2.gz LTRDNKFNUNGJGV-SIKLNZKXSA-N 1 3 395.547 3.202 20 0 GGADHO CCNC(=O)COc1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272762069 1434929040 /nfs/dbraw/zinc/92/90/40/1434929040.db2.gz LTRDNKFNUNGJGV-KNQAVFIVSA-N 1 3 395.547 3.202 20 0 GGADHO COc1cc(C)c([C@H](C)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C ZINC000273172850 1434968918 /nfs/dbraw/zinc/96/89/18/1434968918.db2.gz MRYCOSWIVIXJTG-SFHVURJKSA-N 1 3 383.536 3.454 20 0 GGADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000273499160 1434992544 /nfs/dbraw/zinc/99/25/44/1434992544.db2.gz YFIQHBASZPESQE-AEFFLSMTSA-N 1 3 378.586 3.257 20 0 GGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000273499163 1434992697 /nfs/dbraw/zinc/99/26/97/1434992697.db2.gz YFIQHBASZPESQE-WMZOPIPTSA-N 1 3 378.586 3.257 20 0 GGADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000273499161 1434992808 /nfs/dbraw/zinc/99/28/08/1434992808.db2.gz YFIQHBASZPESQE-FUHWJXTLSA-N 1 3 378.586 3.257 20 0 GGADHO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274741652 1435088892 /nfs/dbraw/zinc/08/88/92/1435088892.db2.gz FIXLQNALLOWVGG-WPYKKVEZSA-N 1 3 392.547 3.073 20 0 GGADHO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274741653 1435089001 /nfs/dbraw/zinc/08/90/01/1435089001.db2.gz FIXLQNALLOWVGG-XKCSPQBFSA-N 1 3 392.547 3.073 20 0 GGADHO COc1ccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000274855505 1435098149 /nfs/dbraw/zinc/09/81/49/1435098149.db2.gz SAMQMQSWEYINEV-PXNSSMCTSA-N 1 3 397.519 3.143 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274872576 1435099896 /nfs/dbraw/zinc/09/98/96/1435099896.db2.gz GAQFUJFSMGCHGW-AVRDEDQJSA-N 1 3 386.561 3.231 20 0 GGADHO COc1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1OCCO ZINC000274872523 1435100006 /nfs/dbraw/zinc/10/00/06/1435100006.db2.gz FXUYMQCAJHIJRE-RXVVDRJESA-N 1 3 384.520 3.067 20 0 GGADHO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274892439 1435101649 /nfs/dbraw/zinc/10/16/49/1435101649.db2.gz JPHSBFPRKKCBMV-SIKLNZKXSA-N 1 3 395.547 3.154 20 0 GGADHO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000275532389 1435146133 /nfs/dbraw/zinc/14/61/33/1435146133.db2.gz LYUIFJZCXPHMQF-VZGLXOSZSA-N 1 3 394.563 3.481 20 0 GGADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000275665488 1435157949 /nfs/dbraw/zinc/15/79/49/1435157949.db2.gz BUUCGQFGDDSTSX-ONTIZHBOSA-N 1 3 385.556 3.197 20 0 GGADHO Cc1ccc([C@H](CCn2cncn2)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000275886042 1435177239 /nfs/dbraw/zinc/17/72/39/1435177239.db2.gz QBGOWTAGJRQNBV-QFIPXVFZSA-N 1 3 393.535 3.448 20 0 GGADHO Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)CC2)n[nH]1 ZINC000275928015 1435180353 /nfs/dbraw/zinc/18/03/53/1435180353.db2.gz QZZGRNXGGRNHJN-KSEOMHKRSA-N 1 3 379.552 3.187 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N(C)Cc2ccccc2C)[C@@H](C)C1 ZINC000276286947 1435202482 /nfs/dbraw/zinc/20/24/82/1435202482.db2.gz VBPUUWHMQBJGQP-VWPQPMDRSA-N 1 3 389.584 3.069 20 0 GGADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000276504201 1435214904 /nfs/dbraw/zinc/21/49/04/1435214904.db2.gz PQMCJWJGPSUVPW-NRFANRHFSA-N 1 3 389.588 3.057 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000276816046 1435234839 /nfs/dbraw/zinc/23/48/39/1435234839.db2.gz GDYDJBXCZAVWJC-SFHVURJKSA-N 1 3 387.572 3.028 20 0 GGADHO C[C@H](c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276981630 1435249417 /nfs/dbraw/zinc/24/94/17/1435249417.db2.gz WBQXWBMHBQYGFU-IXDOHACOSA-N 1 3 384.528 3.207 20 0 GGADHO C[C@H](c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276981630 1435249421 /nfs/dbraw/zinc/24/94/21/1435249421.db2.gz WBQXWBMHBQYGFU-IXDOHACOSA-N 1 3 384.528 3.207 20 0 GGADHO C[C@@H](c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1)N1[C@H](C)CC[C@H]1C ZINC000276981633 1435249491 /nfs/dbraw/zinc/24/94/91/1435249491.db2.gz WBQXWBMHBQYGFU-ZACQAIPSSA-N 1 3 384.528 3.207 20 0 GGADHO C[C@@H](c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1)N1[C@H](C)CC[C@H]1C ZINC000276981633 1435249492 /nfs/dbraw/zinc/24/94/92/1435249492.db2.gz WBQXWBMHBQYGFU-ZACQAIPSSA-N 1 3 384.528 3.207 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000276989112 1435250121 /nfs/dbraw/zinc/25/01/21/1435250121.db2.gz UJAQWWVOQBFFDJ-UHFFFAOYSA-N 1 3 384.568 3.312 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H]([NH+](C)C)CC3)c(C)c2)CC1 ZINC000277407359 1435302344 /nfs/dbraw/zinc/30/23/44/1435302344.db2.gz FLWTUIZMQONDLH-LJQANCHMSA-N 1 3 387.572 3.085 20 0 GGADHO CC[NH+]1CCN(Cc2ccccc2CN[C@@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000278341313 1435381541 /nfs/dbraw/zinc/38/15/41/1435381541.db2.gz XORJWTADHCEMKL-KRWDZBQOSA-N 1 3 385.508 3.055 20 0 GGADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000278363132 1435384071 /nfs/dbraw/zinc/38/40/71/1435384071.db2.gz BMDUAHMERJCHLX-RBUKOAKNSA-N 1 3 386.540 3.151 20 0 GGADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000278363132 1435384072 /nfs/dbraw/zinc/38/40/72/1435384072.db2.gz BMDUAHMERJCHLX-RBUKOAKNSA-N 1 3 386.540 3.151 20 0 GGADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1OC(C)C ZINC000278605659 1435404501 /nfs/dbraw/zinc/40/45/01/1435404501.db2.gz IWSLPGLBSCAXQB-UHFFFAOYSA-N 1 3 388.556 3.462 20 0 GGADHO CCSCc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000279179760 1435468110 /nfs/dbraw/zinc/46/81/10/1435468110.db2.gz HTLPSUFPSIESLP-UHFFFAOYSA-N 1 3 375.582 3.228 20 0 GGADHO COc1cc2c(cc1OC)[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000280024236 1435579022 /nfs/dbraw/zinc/57/90/22/1435579022.db2.gz HOYZUWAVNVYJKU-TZIWHRDSSA-N 1 3 382.504 3.048 20 0 GGADHO COc1cc2c(cc1OC)[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000280024236 1435579028 /nfs/dbraw/zinc/57/90/28/1435579028.db2.gz HOYZUWAVNVYJKU-TZIWHRDSSA-N 1 3 382.504 3.048 20 0 GGADHO C[NH+](C)CCOc1ccc(CNCc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000280082889 1435588772 /nfs/dbraw/zinc/58/87/72/1435588772.db2.gz YMKNBFJNPSCUEP-UHFFFAOYSA-N 1 3 385.899 3.151 20 0 GGADHO CN(c1ccccc1)c1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000280542974 1435676555 /nfs/dbraw/zinc/67/65/55/1435676555.db2.gz DBDHXBCVGCWWOV-FGZHOGPDSA-N 1 3 380.536 3.317 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H](c3cccnc3)C3CCC3)c2)C1 ZINC000280923697 1435742129 /nfs/dbraw/zinc/74/21/29/1435742129.db2.gz RFTQNJXVYLGTLR-XZOQPEGZSA-N 1 3 392.547 3.410 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H](c3cccnc3)C3CCC3)c2)C1 ZINC000280923697 1435742136 /nfs/dbraw/zinc/74/21/36/1435742136.db2.gz RFTQNJXVYLGTLR-XZOQPEGZSA-N 1 3 392.547 3.410 20 0 GGADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000281287614 1435802498 /nfs/dbraw/zinc/80/24/98/1435802498.db2.gz JBSLXCMMOZSOPL-UHFFFAOYSA-N 1 3 383.540 3.235 20 0 GGADHO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000281287614 1435802499 /nfs/dbraw/zinc/80/24/99/1435802499.db2.gz JBSLXCMMOZSOPL-UHFFFAOYSA-N 1 3 383.540 3.235 20 0 GGADHO [NH3+]CC[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000281611033 1435815500 /nfs/dbraw/zinc/81/55/00/1435815500.db2.gz BFFJHSUGVAMFHP-MJGOQNOKSA-N 1 3 383.458 3.028 20 0 GGADHO CN1CCN(CC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1(C)C ZINC000282111092 1435835088 /nfs/dbraw/zinc/83/50/88/1435835088.db2.gz AFNSWYQFGDWDNC-UHFFFAOYSA-N 1 3 396.982 3.059 20 0 GGADHO COCCC[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000282131115 1435835805 /nfs/dbraw/zinc/83/58/05/1435835805.db2.gz BLOCRCXJCFKSTA-HXUWFJFHSA-N 1 3 375.488 3.419 20 0 GGADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000282769091 1435859628 /nfs/dbraw/zinc/85/96/28/1435859628.db2.gz JHQLUYGWROOKNW-HDICACEKSA-N 1 3 397.567 3.205 20 0 GGADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000282769091 1435859629 /nfs/dbraw/zinc/85/96/29/1435859629.db2.gz JHQLUYGWROOKNW-HDICACEKSA-N 1 3 397.567 3.205 20 0 GGADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000282769094 1435859705 /nfs/dbraw/zinc/85/97/05/1435859705.db2.gz JHQLUYGWROOKNW-ROUUACIJSA-N 1 3 397.567 3.205 20 0 GGADHO CC(C)N1CCN(CCC[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CC1 ZINC000283459195 1435890887 /nfs/dbraw/zinc/89/08/87/1435890887.db2.gz YSBMVMOMSKBEOZ-UHFFFAOYSA-N 1 3 396.583 3.067 20 0 GGADHO O[C@@H]1[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC12CCOCC2 ZINC000283468537 1435891264 /nfs/dbraw/zinc/89/12/64/1435891264.db2.gz WAVSNMQABCCXSI-JFDBCFPISA-N 1 3 384.564 3.054 20 0 GGADHO CCOC(=O)[C@H]1CC[C@H](NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000283489294 1435892263 /nfs/dbraw/zinc/89/22/63/1435892263.db2.gz XVSKQIJQVXAFSK-SFTDATJTSA-N 1 3 397.519 3.293 20 0 GGADHO Cn1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c(-c2ccncc2)n1 ZINC000283814618 1435929017 /nfs/dbraw/zinc/92/90/17/1435929017.db2.gz BZUZUYVBPHVIPF-UHFFFAOYSA-N 1 3 391.519 3.245 20 0 GGADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284293448 1436010760 /nfs/dbraw/zinc/01/07/60/1436010760.db2.gz YDGVYGDMIBRDLZ-AZUAARDMSA-N 1 3 387.568 3.396 20 0 GGADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284293452 1436010825 /nfs/dbraw/zinc/01/08/25/1436010825.db2.gz YDGVYGDMIBRDLZ-QUCCMNQESA-N 1 3 387.568 3.396 20 0 GGADHO CN(C)Cc1ccnc(N(c2cccc(F)c2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001164647277 719297115 /nfs/dbraw/zinc/29/71/15/719297115.db2.gz DGVDWSBEXOWXHZ-UNMCSNQZSA-N 1 3 384.499 3.332 20 0 GGADHO CN(C)Cc1ccnc(N(c2cccc(F)c2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001164647275 719297290 /nfs/dbraw/zinc/29/72/90/719297290.db2.gz DGVDWSBEXOWXHZ-RBBKRZOGSA-N 1 3 384.499 3.332 20 0 GGADHO Cc1nc(N(C)C)cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840999 720665902 /nfs/dbraw/zinc/66/59/02/720665902.db2.gz OOWYEBXACKGQNB-FQEVSTJZSA-N 1 3 395.551 3.111 20 0 GGADHO Cc1nc(N(C)C)cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164840999 720665912 /nfs/dbraw/zinc/66/59/12/720665912.db2.gz OOWYEBXACKGQNB-FQEVSTJZSA-N 1 3 395.551 3.111 20 0 GGADHO CC(C)N(C)Cc1cnc2n1CCN(c1ccc(C[N@H+](C)C3CC3)cn1)[C@@H]2C ZINC001164863795 721008972 /nfs/dbraw/zinc/00/89/72/721008972.db2.gz VCROFBVEMDPGHR-QGZVFWFLSA-N 1 3 382.556 3.294 20 0 GGADHO CC(C)N(C)Cc1cnc2n1CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)[C@@H]2C ZINC001164863795 721008980 /nfs/dbraw/zinc/00/89/80/721008980.db2.gz VCROFBVEMDPGHR-QGZVFWFLSA-N 1 3 382.556 3.294 20 0 GGADHO Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CCN3C2)c1 ZINC001164906777 721545234 /nfs/dbraw/zinc/54/52/34/721545234.db2.gz LHOVFLXVXYIMRQ-TZIWHRDSSA-N 1 3 382.483 3.163 20 0 GGADHO CN(C)Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027566 721827574 /nfs/dbraw/zinc/82/75/74/721827574.db2.gz SQTJEPJGKZLPJF-KSEOMHKRSA-N 1 3 379.552 3.275 20 0 GGADHO CN(C)Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165027566 721827576 /nfs/dbraw/zinc/82/75/76/721827576.db2.gz SQTJEPJGKZLPJF-KSEOMHKRSA-N 1 3 379.552 3.275 20 0 GGADHO C[NH+](C)CCOc1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC001177821587 1126150555 /nfs/dbraw/zinc/15/05/55/1126150555.db2.gz AEQAGOGBSJMXMG-PMACEKPBSA-N 1 3 396.453 3.251 20 0 GGADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(-c4ccco4)s3)C2)[C@@H]1C(C)C ZINC001550423931 1126206612 /nfs/dbraw/zinc/20/66/12/1126206612.db2.gz URDQNMREEXZIEJ-DUPRYPCISA-N 1 3 375.538 3.363 20 0 GGADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(-c4ccco4)s3)C2)[C@@H]1C(C)C ZINC001550423931 1126206616 /nfs/dbraw/zinc/20/66/16/1126206616.db2.gz URDQNMREEXZIEJ-DUPRYPCISA-N 1 3 375.538 3.363 20 0 GGADHO COc1c(Br)cc(C[NH2+]CCCN(C)C)cc1Br ZINC000020967612 210371212 /nfs/dbraw/zinc/37/12/12/210371212.db2.gz MOTLYRIDBYGRRE-UHFFFAOYSA-N 1 3 380.124 3.262 20 0 GGADHO CN(CCC(=O)Nc1ccc(Br)cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000118841293 564247319 /nfs/dbraw/zinc/24/73/19/564247319.db2.gz GLGKHMXOEGUZAH-ZDUSSCGKSA-N 1 3 386.309 3.190 20 0 GGADHO CN(CCC(=O)Nc1ccc(Br)cc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841293 564247321 /nfs/dbraw/zinc/24/73/21/564247321.db2.gz GLGKHMXOEGUZAH-ZDUSSCGKSA-N 1 3 386.309 3.190 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119425828 564269929 /nfs/dbraw/zinc/26/99/29/564269929.db2.gz FVZNLLPLOJHXDD-KGLIPLIRSA-N 1 3 380.330 3.240 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119425828 564269934 /nfs/dbraw/zinc/26/99/34/564269934.db2.gz FVZNLLPLOJHXDD-KGLIPLIRSA-N 1 3 380.330 3.240 20 0 GGADHO CCOc1c(Br)cc(Br)cc1CNCCCC[NH3+] ZINC000037715430 564421987 /nfs/dbraw/zinc/42/19/87/564421987.db2.gz MLDCKTSIRCNBKC-UHFFFAOYSA-N 1 3 380.124 3.439 20 0 GGADHO C[C@@H](Cn1cc(Br)cn1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000123035716 564436851 /nfs/dbraw/zinc/43/68/51/564436851.db2.gz FVDGXQRIYPREDD-HNNXBMFYSA-N 1 3 377.330 3.420 20 0 GGADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128709154 564627199 /nfs/dbraw/zinc/62/71/99/564627199.db2.gz DPNRDJCRANQZMM-OAHLLOKOSA-N 1 3 386.353 3.136 20 0 GGADHO COc1ccc(Br)cc1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000062253089 564711566 /nfs/dbraw/zinc/71/15/66/564711566.db2.gz AFBLLVRUAAQYEN-GJZGRUSLSA-N 1 3 385.346 3.437 20 0 GGADHO OC[C@H]1CCC[N@@H+]1CCCCN[C@H]1CCc2c1c(Br)ccc2F ZINC000134392448 564802534 /nfs/dbraw/zinc/80/25/34/564802534.db2.gz HQGANOXLTQRRKS-DYVFJYSZSA-N 1 3 385.321 3.402 20 0 GGADHO OC[C@H]1CCC[N@H+]1CCCCN[C@H]1CCc2c1c(Br)ccc2F ZINC000134392448 564802537 /nfs/dbraw/zinc/80/25/37/564802537.db2.gz HQGANOXLTQRRKS-DYVFJYSZSA-N 1 3 385.321 3.402 20 0 GGADHO CCO[C@H](CC[NH+](C)C)CNCC1=Cc2cc(Br)ccc2OC1 ZINC000150998373 564900928 /nfs/dbraw/zinc/90/09/28/564900928.db2.gz JKOKFRLZXQWKLV-QGZVFWFLSA-N 1 3 383.330 3.171 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000150990047 564901053 /nfs/dbraw/zinc/90/10/53/564901053.db2.gz QHHSDGFXIJLSKD-SFHVURJKSA-N 1 3 396.373 3.278 20 0 GGADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000151097708 564905360 /nfs/dbraw/zinc/90/53/60/564905360.db2.gz VDLWJAJKXSBGED-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000151097708 564905366 /nfs/dbraw/zinc/90/53/66/564905366.db2.gz VDLWJAJKXSBGED-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000151097708 564905372 /nfs/dbraw/zinc/90/53/72/564905372.db2.gz VDLWJAJKXSBGED-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO Cc1c2cc(Br)ccc2oc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211917 564944988 /nfs/dbraw/zinc/94/49/88/564944988.db2.gz FVCHJGXFNVSOJE-UHFFFAOYSA-N 1 3 396.329 3.069 20 0 GGADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000152207295 564951023 /nfs/dbraw/zinc/95/10/23/564951023.db2.gz LOQBXOBMEMJLMA-ZIAGYGMSSA-N 1 3 379.492 3.431 20 0 GGADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc(C(F)(F)F)cs2)[C@H](C)C1 ZINC000152207295 564951026 /nfs/dbraw/zinc/95/10/26/564951026.db2.gz LOQBXOBMEMJLMA-ZIAGYGMSSA-N 1 3 379.492 3.431 20 0 GGADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000154459369 565040238 /nfs/dbraw/zinc/04/02/38/565040238.db2.gz SRQJRMNGBTXPOJ-LJQANCHMSA-N 1 3 380.374 3.444 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000155628122 565069954 /nfs/dbraw/zinc/06/99/54/565069954.db2.gz NMPNXCOQWYOVNU-CRAIPNDOSA-N 1 3 396.373 3.278 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000155628011 565070133 /nfs/dbraw/zinc/07/01/33/565070133.db2.gz NMPNXCOQWYOVNU-MAUKXSAKSA-N 1 3 396.373 3.278 20 0 GGADHO COc1cc(CNCC2=CC[N@H+](C)CC2)cc(Br)c1OC(F)F ZINC000271781842 565268752 /nfs/dbraw/zinc/26/87/52/565268752.db2.gz DTNLKZWFHZUBNW-UHFFFAOYSA-N 1 3 391.256 3.411 20 0 GGADHO COc1cc(CNCC2=CC[N@@H+](C)CC2)cc(Br)c1OC(F)F ZINC000271781842 565268756 /nfs/dbraw/zinc/26/87/56/565268756.db2.gz DTNLKZWFHZUBNW-UHFFFAOYSA-N 1 3 391.256 3.411 20 0 GGADHO CN1CC=C(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000271846927 565270033 /nfs/dbraw/zinc/27/00/33/565270033.db2.gz HVPMHDNYYVIWAJ-UHFFFAOYSA-N 1 3 378.358 3.265 20 0 GGADHO C[C@H](Cn1cc(Br)cn1)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000165179553 565367976 /nfs/dbraw/zinc/36/79/76/565367976.db2.gz OLVOMHPSAUZSFU-OAHLLOKOSA-N 1 3 395.345 3.154 20 0 GGADHO OC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(Br)cc1 ZINC000297639191 565379849 /nfs/dbraw/zinc/37/98/49/565379849.db2.gz MOIWAAFJEJRWLC-GOSISDBHSA-N 1 3 376.298 3.136 20 0 GGADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000168904855 565381926 /nfs/dbraw/zinc/38/19/26/565381926.db2.gz MIPLOUDTCCKXQY-IBGZPJMESA-N 1 3 388.383 3.424 20 0 GGADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cc(F)c(Cl)cc1Cl ZINC000168943027 565382001 /nfs/dbraw/zinc/38/20/01/565382001.db2.gz FNGONSXUTBITAU-AWEZNQCLSA-N 1 3 392.346 3.173 20 0 GGADHO O[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1cccc(Br)c1 ZINC000298207192 565403763 /nfs/dbraw/zinc/40/37/63/565403763.db2.gz YQLSAOSXBYGQOE-GOSISDBHSA-N 1 3 376.298 3.136 20 0 GGADHO CN(C)CCNC(=O)C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000171382972 565429405 /nfs/dbraw/zinc/42/94/05/565429405.db2.gz RSLCFYXLUJAKHQ-UHFFFAOYSA-N 1 3 383.989 3.212 20 0 GGADHO CN(Cc1csc(-c2cccs2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376800175 565455135 /nfs/dbraw/zinc/45/51/35/565455135.db2.gz XLXUHZCLMAVFBW-KRWDZBQOSA-N 1 3 376.595 3.472 20 0 GGADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Br)c(Cl)s2)CC1 ZINC000276647713 565456647 /nfs/dbraw/zinc/45/66/47/565456647.db2.gz SFZGCKBTJDKKOU-UHFFFAOYSA-N 1 3 381.767 3.489 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc3ccc(Br)cn23)C[C@@H](C)O1 ZINC000174316480 565629731 /nfs/dbraw/zinc/62/97/31/565629731.db2.gz YTNCJIRCXLYLMV-HUUCEWRRSA-N 1 3 395.345 3.076 20 0 GGADHO CN(Cc1ccccc1Br)C(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192851997 565715772 /nfs/dbraw/zinc/71/57/72/565715772.db2.gz NRALXLJEBZDDGG-ALOPSCKCSA-N 1 3 394.357 3.012 20 0 GGADHO CN(Cc1ccccc1Br)C(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192851997 565715776 /nfs/dbraw/zinc/71/57/76/565715776.db2.gz NRALXLJEBZDDGG-ALOPSCKCSA-N 1 3 394.357 3.012 20 0 GGADHO CC(C)[NH+]1CCC(NC(=O)CNC(C)(C)c2ccc(Br)cc2)CC1 ZINC000411344545 565725066 /nfs/dbraw/zinc/72/50/66/565725066.db2.gz WYHHXRNXGSTDDN-UHFFFAOYSA-N 1 3 396.373 3.263 20 0 GGADHO CC[NH+]1CCC(NC(=O)CNC(C)(C)c2ccc(Br)c(C)c2)CC1 ZINC000411743262 565749800 /nfs/dbraw/zinc/74/98/00/565749800.db2.gz IENSCVQAWLBHLJ-UHFFFAOYSA-N 1 3 396.373 3.183 20 0 GGADHO COc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1Br ZINC000282180229 565767662 /nfs/dbraw/zinc/76/76/62/565767662.db2.gz FPBVLJZSSSSDQX-AWEZNQCLSA-N 1 3 384.362 3.134 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1Br ZINC000282180232 565767938 /nfs/dbraw/zinc/76/79/38/565767938.db2.gz FPBVLJZSSSSDQX-CQSZACIVSA-N 1 3 384.362 3.134 20 0 GGADHO C[C@H]1CC2(CN1Cc1nc(-c3cccc(Br)c3)no1)CC[NH2+]CC2 ZINC000333622809 565890426 /nfs/dbraw/zinc/89/04/26/565890426.db2.gz UPMNPXSSOQVKGL-ZDUSSCGKSA-N 1 3 391.313 3.463 20 0 GGADHO CN(CCC(=O)Nc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285509203 565911257 /nfs/dbraw/zinc/91/12/57/565911257.db2.gz NHTFSYRWSVHYML-SJPCQFCGSA-N 1 3 380.330 3.335 20 0 GGADHO CN(CCC(=O)Nc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285509203 565911260 /nfs/dbraw/zinc/91/12/60/565911260.db2.gz NHTFSYRWSVHYML-SJPCQFCGSA-N 1 3 380.330 3.335 20 0 GGADHO CCOCCOc1ccc(Br)cc1CNCC[C@H]1CCC[NH2+]C1 ZINC000414844390 565963827 /nfs/dbraw/zinc/96/38/27/565963827.db2.gz DQRQLWQQKIELSP-OAHLLOKOSA-N 1 3 385.346 3.344 20 0 GGADHO CC1(CNCc2c(F)ccc(I)c2F)CC[NH2+]CC1 ZINC000414909267 565964950 /nfs/dbraw/zinc/96/49/50/565964950.db2.gz RJPQFYLUZBCUIS-UHFFFAOYSA-N 1 3 380.220 3.049 20 0 GGADHO CCOc1c(Br)cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000415012043 565969099 /nfs/dbraw/zinc/96/90/99/565969099.db2.gz RXNRAIGJZFCIIV-GOEBONIOSA-N 1 3 383.330 3.334 20 0 GGADHO [NH3+][C@H]1CCC[C@@H](CNCc2ncc(Br)cc2Br)C1 ZINC000415008854 565969726 /nfs/dbraw/zinc/96/97/26/565969726.db2.gz SSJCHHLKJNHLMY-KOLCDFICSA-N 1 3 377.124 3.214 20 0 GGADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)C1 ZINC000415086680 565973153 /nfs/dbraw/zinc/97/31/53/565973153.db2.gz SLUGWYBGACTMAT-IFXJQAMLSA-N 1 3 394.357 3.077 20 0 GGADHO C[C@H](CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1cccc(Br)c1 ZINC000415141515 565976276 /nfs/dbraw/zinc/97/62/76/565976276.db2.gz PNXXZSGZQBXKRO-OLMNPRSZSA-N 1 3 379.342 3.253 20 0 GGADHO C[C@@H](N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(F)cc1Br ZINC000363780128 566020759 /nfs/dbraw/zinc/02/07/59/566020759.db2.gz BHTXTDUCZHWZNZ-HIFRSBDPSA-N 1 3 384.337 3.407 20 0 GGADHO C[C@@H](N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(F)cc1Br ZINC000363780128 566020765 /nfs/dbraw/zinc/02/07/65/566020765.db2.gz BHTXTDUCZHWZNZ-HIFRSBDPSA-N 1 3 384.337 3.407 20 0 GGADHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1Br ZINC000363780128 566020769 /nfs/dbraw/zinc/02/07/69/566020769.db2.gz BHTXTDUCZHWZNZ-HIFRSBDPSA-N 1 3 384.337 3.407 20 0 GGADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000180015549 566025426 /nfs/dbraw/zinc/02/54/26/566025426.db2.gz RZMCWEFAJAHDDE-IBGZPJMESA-N 1 3 380.374 3.444 20 0 GGADHO CC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000246409735 566028732 /nfs/dbraw/zinc/02/87/32/566028732.db2.gz MIDNOJQOAQNVNZ-GOEBONIOSA-N 1 3 382.346 3.406 20 0 GGADHO CC[N@H+]1CC[C@@H](NCCC(=O)Nc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000246409735 566028735 /nfs/dbraw/zinc/02/87/35/566028735.db2.gz MIDNOJQOAQNVNZ-GOEBONIOSA-N 1 3 382.346 3.406 20 0 GGADHO CCN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)[C@@H](C)C1 ZINC000246439523 566029543 /nfs/dbraw/zinc/02/95/43/566029543.db2.gz OLVWFLDYOPHTNZ-MAUKXSAKSA-N 1 3 396.373 3.106 20 0 GGADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247180588 566055548 /nfs/dbraw/zinc/05/55/48/566055548.db2.gz VDLWJAJKXSBGED-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247180588 566055551 /nfs/dbraw/zinc/05/55/51/566055551.db2.gz VDLWJAJKXSBGED-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247180588 566055555 /nfs/dbraw/zinc/05/55/55/566055555.db2.gz VDLWJAJKXSBGED-HUUCEWRRSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000365096896 566082427 /nfs/dbraw/zinc/08/24/27/566082427.db2.gz WZMGISIOKFSSLE-QAPCUYQASA-N 1 3 380.374 3.138 20 0 GGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000180829922 566092497 /nfs/dbraw/zinc/09/24/97/566092497.db2.gz QRMGUPHIGVOTFX-SQWLQELKSA-N 1 3 382.346 3.404 20 0 GGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000180829922 566092504 /nfs/dbraw/zinc/09/25/04/566092504.db2.gz QRMGUPHIGVOTFX-SQWLQELKSA-N 1 3 382.346 3.404 20 0 GGADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000181459496 566142274 /nfs/dbraw/zinc/14/22/74/566142274.db2.gz IPTWOHIVEQJJFV-RVKKMQEKSA-N 1 3 396.373 3.104 20 0 GGADHO O=C(Nc1cccc(Br)c1)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000262045372 566146002 /nfs/dbraw/zinc/14/60/02/566146002.db2.gz YWZHVXOGWJSJCD-AWEZNQCLSA-N 1 3 380.330 3.099 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Br)nc1 ZINC000290592332 566180636 /nfs/dbraw/zinc/18/06/36/566180636.db2.gz GOGZAKTXQUNQLF-KSSFIOAISA-N 1 3 390.325 3.262 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Br)nc1 ZINC000290592332 566180644 /nfs/dbraw/zinc/18/06/44/566180644.db2.gz GOGZAKTXQUNQLF-KSSFIOAISA-N 1 3 390.325 3.262 20 0 GGADHO COc1ccc([C@H](NCC2(O)CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000290628192 566181729 /nfs/dbraw/zinc/18/17/29/566181729.db2.gz IWBLDFRSQGDSRI-QGZVFWFLSA-N 1 3 385.346 3.201 20 0 GGADHO CN(CCCc1ccccc1Br)CC[N@H+](C)C1CCN(C)CC1 ZINC000182272666 566194421 /nfs/dbraw/zinc/19/44/21/566194421.db2.gz HCIZFXXKZVRIQW-UHFFFAOYSA-N 1 3 382.390 3.340 20 0 GGADHO CN(CCCc1ccccc1Br)CC[N@@H+](C)C1CCN(C)CC1 ZINC000182272666 566194426 /nfs/dbraw/zinc/19/44/26/566194426.db2.gz HCIZFXXKZVRIQW-UHFFFAOYSA-N 1 3 382.390 3.340 20 0 GGADHO CCCN(C)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(Cl)cc1 ZINC000418186112 566202457 /nfs/dbraw/zinc/20/24/57/566202457.db2.gz RNYMVCJLOFQEMX-CABCVRRESA-N 1 3 376.879 3.005 20 0 GGADHO CCCN(C)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(Cl)cc1 ZINC000418186120 566202888 /nfs/dbraw/zinc/20/28/88/566202888.db2.gz RNYMVCJLOFQEMX-HUUCEWRRSA-N 1 3 376.879 3.005 20 0 GGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3cccc(Br)c3)CC2)C1 ZINC000420389986 566276125 /nfs/dbraw/zinc/27/61/25/566276125.db2.gz MWDLKRSPDONPCR-SJLPKXTDSA-N 1 3 383.330 3.046 20 0 GGADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H](C)O1 ZINC000462537361 566319085 /nfs/dbraw/zinc/31/90/85/566319085.db2.gz VEPLRNVYYPYIBB-GJZGRUSLSA-N 1 3 397.357 3.363 20 0 GGADHO CN1CCCN(CCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536157084 566354859 /nfs/dbraw/zinc/35/48/59/566354859.db2.gz CODTVCSRUREDRY-LJQANCHMSA-N 1 3 380.374 3.444 20 0 GGADHO CSC1(CNCc2cn3ccc(Br)cc3n2)CC[NH+](C)CC1 ZINC000576867296 566384415 /nfs/dbraw/zinc/38/44/15/566384415.db2.gz LFMFYKHPIOFPEK-UHFFFAOYSA-N 1 3 383.359 3.014 20 0 GGADHO C[C@@H](Cc1ccc(F)cc1Br)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000576856858 566384937 /nfs/dbraw/zinc/38/49/37/566384937.db2.gz OFKTYZFPGDJYSV-YOEHRIQHSA-N 1 3 387.337 3.202 20 0 GGADHO C[C@@H](CCN(C)C)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000463301114 566399864 /nfs/dbraw/zinc/39/98/64/566399864.db2.gz OAWYMDYOFAAGFX-VIFPVBQESA-N 1 3 379.140 3.224 20 0 GGADHO CC(C)N1CCN(CCC[N@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463415332 566408957 /nfs/dbraw/zinc/40/89/57/566408957.db2.gz PWSHTNCLUMMAEK-UHFFFAOYSA-N 1 3 382.390 3.340 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463415332 566408963 /nfs/dbraw/zinc/40/89/63/566408963.db2.gz PWSHTNCLUMMAEK-UHFFFAOYSA-N 1 3 382.390 3.340 20 0 GGADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000447571060 566417543 /nfs/dbraw/zinc/41/75/43/566417543.db2.gz WWBKRSSQDAUZNW-QWQRMKEZSA-N 1 3 377.330 3.453 20 0 GGADHO CCN1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H](C)C1 ZINC000557827122 566425628 /nfs/dbraw/zinc/42/56/28/566425628.db2.gz JCQILMZKKWLSBT-KSSFIOAISA-N 1 3 377.330 3.455 20 0 GGADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000422637618 566459224 /nfs/dbraw/zinc/45/92/24/566459224.db2.gz PCNQSYUNNQDVLS-AGIUHOORSA-N 1 3 386.309 3.222 20 0 GGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422736281 566462120 /nfs/dbraw/zinc/46/21/20/566462120.db2.gz VUENEEZIZOESBS-CRFBAAHOSA-N 1 3 386.367 3.300 20 0 GGADHO Cc1nc(-c2ccc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)s2)cs1 ZINC000422799527 566463038 /nfs/dbraw/zinc/46/30/38/566463038.db2.gz XCUKQZUAZYOVLE-GVDBMIGSSA-N 1 3 377.579 3.469 20 0 GGADHO C[C@@H](CCCC[NH3+])NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000422758723 566463295 /nfs/dbraw/zinc/46/32/95/566463295.db2.gz JWLIKQVRUJRYKQ-ZDUSSCGKSA-N 1 3 391.375 3.109 20 0 GGADHO Brc1cccc(OCCSCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422714446 566463431 /nfs/dbraw/zinc/46/34/31/566463431.db2.gz RCEKBOPWNALPSP-XYPWUTKMSA-N 1 3 385.371 3.434 20 0 GGADHO CCOC(=O)C1([C@H](C)NCc2nc3cc(Cl)ccc3s2)CC[NH2+]CC1 ZINC000422903106 566464537 /nfs/dbraw/zinc/46/45/37/566464537.db2.gz ODYFEUBGKYKKFD-LBPRGKRZSA-N 1 3 381.929 3.361 20 0 GGADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422895425 566465308 /nfs/dbraw/zinc/46/53/08/566465308.db2.gz VYYZYIXCBBKROJ-DNVCBOLYSA-N 1 3 380.374 3.391 20 0 GGADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880870 566465497 /nfs/dbraw/zinc/46/54/97/566465497.db2.gz PDMITSYPORHSNZ-JOQOYGCGSA-N 1 3 387.351 3.384 20 0 GGADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422880870 566465502 /nfs/dbraw/zinc/46/55/02/566465502.db2.gz PDMITSYPORHSNZ-JOQOYGCGSA-N 1 3 387.351 3.384 20 0 GGADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)COc1ccccc1Br ZINC000422945592 566466986 /nfs/dbraw/zinc/46/69/86/566466986.db2.gz VBSRSQYLHZXQIS-MXSMSXNCSA-N 1 3 397.357 3.089 20 0 GGADHO COc1cc(Br)ccc1CCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423028826 566468929 /nfs/dbraw/zinc/46/89/29/566468929.db2.gz HETQXXFLLRHVMP-RCCFBDPRSA-N 1 3 397.357 3.137 20 0 GGADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)nc12 ZINC000423040269 566470728 /nfs/dbraw/zinc/47/07/28/566470728.db2.gz SWPOLSVGSGEATM-KZNAEPCWSA-N 1 3 391.357 3.458 20 0 GGADHO Cc1cc(Br)cn2cc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)nc12 ZINC000423040268 566471817 /nfs/dbraw/zinc/47/18/17/566471817.db2.gz SWPOLSVGSGEATM-KURKYZTESA-N 1 3 391.357 3.458 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1Br ZINC000423070696 566472472 /nfs/dbraw/zinc/47/24/72/566472472.db2.gz DFCBTOLMWOQPOZ-RGIVZKHGSA-N 1 3 381.358 3.110 20 0 GGADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423078962 566472631 /nfs/dbraw/zinc/47/26/31/566472631.db2.gz WXVVFOLJOHLVOZ-ZAAXVRCTSA-N 1 3 391.353 3.148 20 0 GGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000423073646 566472729 /nfs/dbraw/zinc/47/27/29/566472729.db2.gz JMXBUJMVFYSMTN-BBRMVZONSA-N 1 3 392.341 3.113 20 0 GGADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000423077998 566473299 /nfs/dbraw/zinc/47/32/99/566473299.db2.gz VACMXOMCCKWPMY-BBRMVZONSA-N 1 3 392.341 3.113 20 0 GGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CO)Cc1ccccc1Br ZINC000423070327 566473326 /nfs/dbraw/zinc/47/33/26/566473326.db2.gz COVVBDLQPLPYSL-KNBMTAEXSA-N 1 3 391.353 3.148 20 0 GGADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000423075371 566473428 /nfs/dbraw/zinc/47/34/28/566473428.db2.gz OKDCYULGRVOGBO-QSFXBCCZSA-N 1 3 391.353 3.148 20 0 GGADHO Clc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000423074138 566473444 /nfs/dbraw/zinc/47/34/44/566473444.db2.gz UBWYXTREKLSCAS-BURFUSLBSA-N 1 3 384.351 3.319 20 0 GGADHO Cc1c([C@H](C)NCCC2CC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000650764187 566475501 /nfs/dbraw/zinc/47/55/01/566475501.db2.gz SBAZQPRYTZRSQP-ZDUSSCGKSA-N 1 3 392.345 3.379 20 0 GGADHO Brc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423144328 566478701 /nfs/dbraw/zinc/47/87/01/566478701.db2.gz YQPZQAOLEVMNHF-RXABAKJHSA-N 1 3 379.342 3.442 20 0 GGADHO Brc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423144321 566478750 /nfs/dbraw/zinc/47/87/50/566478750.db2.gz YQPZQAOLEVMNHF-GPFWEFOESA-N 1 3 379.342 3.442 20 0 GGADHO Brc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423144330 566478927 /nfs/dbraw/zinc/47/89/27/566478927.db2.gz YQPZQAOLEVMNHF-WSIUPNEHSA-N 1 3 379.342 3.442 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cc(Br)ccc1F ZINC000423165708 566480372 /nfs/dbraw/zinc/48/03/72/566480372.db2.gz URIDPXQEZCOEHO-UONJOCPKSA-N 1 3 399.348 3.250 20 0 GGADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423161062 566480515 /nfs/dbraw/zinc/48/05/15/566480515.db2.gz NDPRVNOVBSHPBB-LWCVALJOSA-N 1 3 395.385 3.419 20 0 GGADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423178837 566480551 /nfs/dbraw/zinc/48/05/51/566480551.db2.gz ISXHEOOHYABTCG-HNAYVOBHSA-N 1 3 380.374 3.391 20 0 GGADHO Fc1cccc([C@@H](NCCN2CC[NH2+]CC2)c2cccc(Br)c2)c1 ZINC000423201182 566482258 /nfs/dbraw/zinc/48/22/58/566482258.db2.gz HVVQDXVACMZYAE-IBGZPJMESA-N 1 3 392.316 3.172 20 0 GGADHO Cc1c([C@H](C)NC2CCC([NH3+])CC2)nnn1-c1cccc(Br)c1 ZINC000423206372 566482763 /nfs/dbraw/zinc/48/27/63/566482763.db2.gz BWQUWMQAINTVBE-QGLTVNCISA-N 1 3 378.318 3.259 20 0 GGADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)c(Br)c1 ZINC000423392849 566485647 /nfs/dbraw/zinc/48/56/47/566485647.db2.gz QUIMAPGLCRAIJQ-QMTHXVAHSA-N 1 3 398.242 3.075 20 0 GGADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404210 566488928 /nfs/dbraw/zinc/48/89/28/566488928.db2.gz ZMNZRTJWRHMCLN-DGCLKSJQSA-N 1 3 378.508 3.236 20 0 GGADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(Br)c1 ZINC000512041142 566508445 /nfs/dbraw/zinc/50/84/45/566508445.db2.gz SKGMJUXYPCEKCF-HUUCEWRRSA-N 1 3 385.346 3.437 20 0 GGADHO C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000424301175 566526674 /nfs/dbraw/zinc/52/66/74/566526674.db2.gz XJKIJVBDXNFNSP-GJZGRUSLSA-N 1 3 394.357 3.090 20 0 GGADHO Cc1cc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1Br ZINC000424292923 566527179 /nfs/dbraw/zinc/52/71/79/566527179.db2.gz OVJFQJWVOHHPMP-CQSZACIVSA-N 1 3 380.330 3.160 20 0 GGADHO CN1CCC([NH+]2CCC(NCc3cc(F)cc(Br)c3)CC2)CC1 ZINC000449107389 566529822 /nfs/dbraw/zinc/52/98/22/566529822.db2.gz MESANSKTQKCWOD-UHFFFAOYSA-N 1 3 384.337 3.236 20 0 GGADHO CCN1CCN(CCC[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449218385 566537844 /nfs/dbraw/zinc/53/78/44/566537844.db2.gz HURAZMZBIUYNSS-UHFFFAOYSA-N 1 3 391.357 3.115 20 0 GGADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2cc(F)cc(Br)c2)C1 ZINC000449233890 566539419 /nfs/dbraw/zinc/53/94/19/566539419.db2.gz NVAOJQLHWXTSJH-LJQANCHMSA-N 1 3 393.300 3.445 20 0 GGADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2cc(F)cc(Br)c2)C1 ZINC000449233890 566539426 /nfs/dbraw/zinc/53/94/26/566539426.db2.gz NVAOJQLHWXTSJH-LJQANCHMSA-N 1 3 393.300 3.445 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538867014 566541905 /nfs/dbraw/zinc/54/19/05/566541905.db2.gz MCZSCWXVKFNDCA-LJQANCHMSA-N 1 3 380.374 3.442 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(C)c(Br)cn1 ZINC000628278593 566542609 /nfs/dbraw/zinc/54/26/09/566542609.db2.gz XUEXCAXGIQCYNP-KRWDZBQOSA-N 1 3 383.378 3.000 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(C)c(Br)cn1 ZINC000628278593 566542618 /nfs/dbraw/zinc/54/26/18/566542618.db2.gz XUEXCAXGIQCYNP-KRWDZBQOSA-N 1 3 383.378 3.000 20 0 GGADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC000486063290 566553141 /nfs/dbraw/zinc/55/31/41/566553141.db2.gz OATXZYUUOCNTCS-UHFFFAOYSA-N 1 3 396.373 3.071 20 0 GGADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000449596718 566578750 /nfs/dbraw/zinc/57/87/50/566578750.db2.gz CFXMEQNLNMKVNM-GLJUWKHASA-N 1 3 387.337 3.059 20 0 GGADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000449596718 566578753 /nfs/dbraw/zinc/57/87/53/566578753.db2.gz CFXMEQNLNMKVNM-GLJUWKHASA-N 1 3 387.337 3.059 20 0 GGADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000449596717 566579082 /nfs/dbraw/zinc/57/90/82/566579082.db2.gz CFXMEQNLNMKVNM-DEYYWGMASA-N 1 3 387.337 3.059 20 0 GGADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)Cc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000449596717 566579088 /nfs/dbraw/zinc/57/90/88/566579088.db2.gz CFXMEQNLNMKVNM-DEYYWGMASA-N 1 3 387.337 3.059 20 0 GGADHO Cc1ccc(C[C@H](CO)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000449599467 566580755 /nfs/dbraw/zinc/58/07/55/566580755.db2.gz LASMTYSNJYIACB-OKZBNKHCSA-N 1 3 381.358 3.125 20 0 GGADHO Cc1ccc(C[C@H](CO)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000449599467 566580756 /nfs/dbraw/zinc/58/07/56/566580756.db2.gz LASMTYSNJYIACB-OKZBNKHCSA-N 1 3 381.358 3.125 20 0 GGADHO Cc1ccc(C[C@@H](CO)CNC2CC[NH+](C(C)C)CC2)cc1Br ZINC000449598918 566580866 /nfs/dbraw/zinc/58/08/66/566580866.db2.gz JMUUMFQLVGHFQJ-QGZVFWFLSA-N 1 3 383.374 3.371 20 0 GGADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000449686448 566593132 /nfs/dbraw/zinc/59/31/32/566593132.db2.gz WYYYNARGHHQNQV-HNNXBMFYSA-N 1 3 387.337 3.202 20 0 GGADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCOc3ccccc3Br)C2)C1 ZINC000652349175 566602761 /nfs/dbraw/zinc/60/27/61/566602761.db2.gz DUILNJOYBQQDST-IIDMSEBBSA-N 1 3 383.330 3.046 20 0 GGADHO C[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)[C@@H]1CC[NH3+] ZINC000652353992 566605684 /nfs/dbraw/zinc/60/56/84/566605684.db2.gz KARKIISMXPDGRG-BLLLJJGKSA-N 1 3 386.309 3.366 20 0 GGADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H]1CCN ZINC000652353992 566605686 /nfs/dbraw/zinc/60/56/86/566605686.db2.gz KARKIISMXPDGRG-BLLLJJGKSA-N 1 3 386.309 3.366 20 0 GGADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H]1CCN ZINC000652353992 566605691 /nfs/dbraw/zinc/60/56/91/566605691.db2.gz KARKIISMXPDGRG-BLLLJJGKSA-N 1 3 386.309 3.366 20 0 GGADHO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000540416452 566650130 /nfs/dbraw/zinc/65/01/30/566650130.db2.gz NLZOOPRKHBPEGK-BLLLJJGKSA-N 1 3 385.371 3.278 20 0 GGADHO C[C@H](NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC[NH+](C)CC1 ZINC000675738791 566662197 /nfs/dbraw/zinc/66/21/97/566662197.db2.gz MZSXYTWKYRBXMB-JTQLQIEISA-N 1 3 375.826 3.221 20 0 GGADHO O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533131 566664824 /nfs/dbraw/zinc/66/48/24/566664824.db2.gz ITYGZQYMNVTZNB-MPGHIAIKSA-N 1 3 392.341 3.024 20 0 GGADHO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CCCN(C)CC[NH+](C)C ZINC000580121544 566666791 /nfs/dbraw/zinc/66/67/91/566666791.db2.gz QWWZFHYOKHCJQT-CQSZACIVSA-N 1 3 389.371 3.136 20 0 GGADHO Brc1cc2c(cc1CN1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)OCCO2 ZINC000580312398 566682826 /nfs/dbraw/zinc/68/28/26/566682826.db2.gz MQBRBVCHPRUNOL-UONOGXRCSA-N 1 3 381.314 3.042 20 0 GGADHO Brc1cc2c(cc1CN1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)OCCO2 ZINC000580312399 566683135 /nfs/dbraw/zinc/68/31/35/566683135.db2.gz MQBRBVCHPRUNOL-ZIAGYGMSSA-N 1 3 381.314 3.042 20 0 GGADHO Brc1ccc(-n2cc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000515061149 566689916 /nfs/dbraw/zinc/68/99/16/566689916.db2.gz TXHXVEFOWSQLPO-IRXDYDNUSA-N 1 3 389.341 3.456 20 0 GGADHO CN1CCCN(CCC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000541223565 566704570 /nfs/dbraw/zinc/70/45/70/566704570.db2.gz MLBJERZTENOTLX-LJQANCHMSA-N 1 3 380.374 3.444 20 0 GGADHO OC[C@@H](CNC1CC[NH+](CC2CC2)CC1)Cc1ccc(F)c(Br)c1 ZINC000515594035 566722121 /nfs/dbraw/zinc/72/21/21/566722121.db2.gz DDKLTLTVSUQMTO-MRXNPFEDSA-N 1 3 399.348 3.203 20 0 GGADHO CCN(CC)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426785033 566729014 /nfs/dbraw/zinc/72/90/14/566729014.db2.gz VCOISKLPJDNFII-UHFFFAOYSA-N 1 3 396.373 3.214 20 0 GGADHO CCCN(C)CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000426781113 566729538 /nfs/dbraw/zinc/72/95/38/566729538.db2.gz YLUZJTOOGRDELX-UHFFFAOYSA-N 1 3 396.373 3.214 20 0 GGADHO CN1CCN(CCCC[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000562313210 566780629 /nfs/dbraw/zinc/78/06/29/566780629.db2.gz GPTFVLGNYUPXQS-UHFFFAOYSA-N 1 3 380.783 3.281 20 0 GGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000516921773 566791733 /nfs/dbraw/zinc/79/17/33/566791733.db2.gz MAYDIENXRRANFW-MRXNPFEDSA-N 1 3 385.346 3.041 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC(NCCC[NH2+]C(C)C)CC1 ZINC000516921169 566792194 /nfs/dbraw/zinc/79/21/94/566792194.db2.gz HJSPSLBQECCXJO-UHFFFAOYSA-N 1 3 396.373 3.340 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCCNC(C)C)CC1 ZINC000516921169 566792197 /nfs/dbraw/zinc/79/21/97/566792197.db2.gz HJSPSLBQECCXJO-UHFFFAOYSA-N 1 3 396.373 3.340 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCc1ccc(C[NH3+])cc1 ZINC000581607449 566793162 /nfs/dbraw/zinc/79/31/62/566793162.db2.gz DBOOAQUKZGXPGB-CYBMUJFWSA-N 1 3 376.298 3.415 20 0 GGADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCc4c3cccc4Br)C2)CC1 ZINC000678684635 566811714 /nfs/dbraw/zinc/81/17/14/566811714.db2.gz ASEWKZSQLPIPJZ-LIRRHRJNSA-N 1 3 378.358 3.195 20 0 GGADHO CC[NH+](CC)CCOCCNCC1=Cc2cc(Br)ccc2OC1 ZINC000542693287 566818120 /nfs/dbraw/zinc/81/81/20/566818120.db2.gz QUMMNGXBJGWJAO-UHFFFAOYSA-N 1 3 383.330 3.173 20 0 GGADHO CN1CCN(CCCC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000543079134 566851193 /nfs/dbraw/zinc/85/11/93/566851193.db2.gz CMZUIWALRBCXEP-LJQANCHMSA-N 1 3 380.374 3.444 20 0 GGADHO CN1CCN(CCCC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000543079133 566851363 /nfs/dbraw/zinc/85/13/63/566851363.db2.gz CMZUIWALRBCXEP-IBGZPJMESA-N 1 3 380.374 3.444 20 0 GGADHO O=C(CCNC1CC[NH+](C2CCC2)CC1)Nc1ccc(Br)cc1 ZINC000518171238 566868766 /nfs/dbraw/zinc/86/87/66/566868766.db2.gz TYVVBYWPFLHSRV-UHFFFAOYSA-N 1 3 380.330 3.384 20 0 GGADHO CN1CCN(CCCC[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000582527169 566870461 /nfs/dbraw/zinc/87/04/61/566870461.db2.gz FXSLVKWZSOIYQX-UHFFFAOYSA-N 1 3 391.357 3.115 20 0 GGADHO C[C@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490632674 566873030 /nfs/dbraw/zinc/87/30/30/566873030.db2.gz SXSGUEIPFWJIMG-HNAYVOBHSA-N 1 3 386.367 3.330 20 0 GGADHO C[C@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000490632674 566873033 /nfs/dbraw/zinc/87/30/33/566873033.db2.gz SXSGUEIPFWJIMG-HNAYVOBHSA-N 1 3 386.367 3.330 20 0 GGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000583217370 566930941 /nfs/dbraw/zinc/93/09/41/566930941.db2.gz XWJZJHLHEUDLFK-SOUVJXGZSA-N 1 3 385.371 3.465 20 0 GGADHO CCN1CCN(CCC[NH2+][C@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493843539 566955850 /nfs/dbraw/zinc/95/58/50/566955850.db2.gz LKVZZNHRXYBIHP-SFHVURJKSA-N 1 3 380.374 3.362 20 0 GGADHO CC1CC[NH+](C[C@H](O)CNC2CC(c3ccc(Br)cc3)C2)CC1 ZINC000493891255 566959029 /nfs/dbraw/zinc/95/90/29/566959029.db2.gz LHUBWYHDVMMFAP-NKELODKYSA-N 1 3 381.358 3.378 20 0 GGADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COc2cccc(Br)c2)c1 ZINC000564565219 566987737 /nfs/dbraw/zinc/98/77/37/566987737.db2.gz SMTDOGLRWWJJRP-GOSISDBHSA-N 1 3 393.325 3.040 20 0 GGADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCCN1CCN(C)CC1 ZINC000583894364 566992812 /nfs/dbraw/zinc/99/28/12/566992812.db2.gz PUISRCYYPQDOSG-OAHLLOKOSA-N 1 3 386.353 3.136 20 0 GGADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000430598481 567025265 /nfs/dbraw/zinc/02/52/65/567025265.db2.gz OKROCLMMWKOYEZ-OAHLLOKOSA-N 1 3 396.373 3.118 20 0 GGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000584345857 567034994 /nfs/dbraw/zinc/03/49/94/567034994.db2.gz FINJZPULZNBDST-GOEBONIOSA-N 1 3 375.340 3.443 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1sc2ccccc2c1Br ZINC000521125362 567043397 /nfs/dbraw/zinc/04/33/97/567043397.db2.gz KRHFQPRMMZPRPB-UHFFFAOYSA-N 1 3 398.370 3.229 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453073507 567050670 /nfs/dbraw/zinc/05/06/70/567050670.db2.gz GRMNJVCQSZACJN-FQEVSTJZSA-N 1 3 394.401 3.386 20 0 GGADHO CCCN(CCC(=O)Nc1ccc(Br)cc1F)C1CC[NH2+]CC1 ZINC000431075460 567052267 /nfs/dbraw/zinc/05/22/67/567052267.db2.gz FBZKKUKZGAEDOR-UHFFFAOYSA-N 1 3 386.309 3.381 20 0 GGADHO COC(=O)c1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000584557295 567053983 /nfs/dbraw/zinc/05/39/83/567053983.db2.gz RRPRSURLZVQTMY-INIZCTEOSA-N 1 3 395.341 3.399 20 0 GGADHO CN1CCN(CC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1(C)C ZINC000453226435 567064559 /nfs/dbraw/zinc/06/45/59/567064559.db2.gz VHARDIUNPNGPIG-LJQANCHMSA-N 1 3 394.401 3.386 20 0 GGADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627027 567083982 /nfs/dbraw/zinc/08/39/82/567083982.db2.gz SRAYMQVXAPRMEV-CABCVRRESA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627027 567083987 /nfs/dbraw/zinc/08/39/87/567083987.db2.gz SRAYMQVXAPRMEV-CABCVRRESA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627027 567083997 /nfs/dbraw/zinc/08/39/97/567083997.db2.gz SRAYMQVXAPRMEV-CABCVRRESA-N 1 3 382.346 3.486 20 0 GGADHO Brc1cc2c(cc1CNCC1CC[NH+](CC3CC3)CC1)OCO2 ZINC000657813127 567098357 /nfs/dbraw/zinc/09/83/57/567098357.db2.gz ZQTGVLLJSWSTQX-UHFFFAOYSA-N 1 3 381.314 3.389 20 0 GGADHO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCN(CC)CC1 ZINC000657832482 567098962 /nfs/dbraw/zinc/09/89/62/567098962.db2.gz DRHSMMMBVVINSX-LJQANCHMSA-N 1 3 382.390 3.387 20 0 GGADHO Brc1ccn2cc(CNCC3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000657815953 567099044 /nfs/dbraw/zinc/09/90/44/567099044.db2.gz SSFNYUDKLDYTDG-UHFFFAOYSA-N 1 3 377.330 3.308 20 0 GGADHO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000657872545 567102423 /nfs/dbraw/zinc/10/24/23/567102423.db2.gz OAFMMCZEJKWTFF-LJQANCHMSA-N 1 3 382.390 3.387 20 0 GGADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565834276 567104481 /nfs/dbraw/zinc/10/44/81/567104481.db2.gz DTYKUCAZSXKNHS-CVEARBPZSA-N 1 3 384.351 3.273 20 0 GGADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000474011914 567124595 /nfs/dbraw/zinc/12/45/95/567124595.db2.gz RDICIVOASWVLKO-MRXNPFEDSA-N 1 3 396.373 3.107 20 0 GGADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000566700638 567181770 /nfs/dbraw/zinc/18/17/70/567181770.db2.gz AISGTQBFKKMNBQ-AWEZNQCLSA-N 1 3 386.353 3.135 20 0 GGADHO C[C@@H](CCc1ccc(I)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000474881128 567206646 /nfs/dbraw/zinc/20/66/46/567206646.db2.gz PYYUHNAUQIKUDK-AWEZNQCLSA-N 1 3 384.305 3.464 20 0 GGADHO C[NH+]1CCC(O)(CNCc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000524886818 567219254 /nfs/dbraw/zinc/21/92/54/567219254.db2.gz ONMKFKBEFPQVDG-UHFFFAOYSA-N 1 3 379.298 3.255 20 0 GGADHO O[C@H](C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)CN1CCCC1 ZINC000567307643 567234480 /nfs/dbraw/zinc/23/44/80/567234480.db2.gz OAMONHRGHVLORG-KDOFPFPSSA-N 1 3 392.341 3.354 20 0 GGADHO C[C@H]1CCC[N@H+](CCCCNCc2cnn3cc(Br)cnc23)C1 ZINC000638366387 567244260 /nfs/dbraw/zinc/24/42/60/567244260.db2.gz NWEBPHYJENKYEB-AWEZNQCLSA-N 1 3 380.334 3.094 20 0 GGADHO C[C@H]1CCC[N@@H+](CCCCNCc2cnn3cc(Br)cnc23)C1 ZINC000638366387 567244265 /nfs/dbraw/zinc/24/42/65/567244265.db2.gz NWEBPHYJENKYEB-AWEZNQCLSA-N 1 3 380.334 3.094 20 0 GGADHO C[C@@H]1CCC[N@H+](CCCCNCc2cnn3cc(Br)cnc23)C1 ZINC000638366390 567245226 /nfs/dbraw/zinc/24/52/26/567245226.db2.gz NWEBPHYJENKYEB-CQSZACIVSA-N 1 3 380.334 3.094 20 0 GGADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cnn3cc(Br)cnc23)C1 ZINC000638366390 567245233 /nfs/dbraw/zinc/24/52/33/567245233.db2.gz NWEBPHYJENKYEB-CQSZACIVSA-N 1 3 380.334 3.094 20 0 GGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000567681287 567267703 /nfs/dbraw/zinc/26/77/03/567267703.db2.gz OPINLZHKRFSHHT-MRXNPFEDSA-N 1 3 375.340 3.443 20 0 GGADHO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638852931 567274998 /nfs/dbraw/zinc/27/49/98/567274998.db2.gz OMOGOYQXFHJAKW-RDTXWAMCSA-N 1 3 399.373 3.350 20 0 GGADHO Brc1cc2c(cc1CN1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)OCCCO2 ZINC000567895556 567288570 /nfs/dbraw/zinc/28/85/70/567288570.db2.gz NUTLUCOOZKPXOL-CABCVRRESA-N 1 3 395.341 3.432 20 0 GGADHO CC(C)(O)C[NH+]1CCC(NCCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000639211710 567294351 /nfs/dbraw/zinc/29/43/51/567294351.db2.gz QXZQWJPTHOKVJH-UHFFFAOYSA-N 1 3 388.339 3.147 20 0 GGADHO Cc1cc2c(o1)c(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc2Br ZINC000527204064 567320325 /nfs/dbraw/zinc/32/03/25/567320325.db2.gz GECIQMRADIKZDI-UHFFFAOYSA-N 1 3 396.329 3.069 20 0 GGADHO Clc1ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(I)c1 ZINC000592471104 567341747 /nfs/dbraw/zinc/34/17/47/567341747.db2.gz YAOLLPDHDHOIBJ-VHRBIJSZSA-N 1 3 390.696 3.422 20 0 GGADHO Clc1ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(I)c1 ZINC000592471105 567342310 /nfs/dbraw/zinc/34/23/10/567342310.db2.gz YAOLLPDHDHOIBJ-ZKYQVNSYSA-N 1 3 390.696 3.422 20 0 GGADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1cc(F)c(Br)cc1F ZINC000527859574 567379521 /nfs/dbraw/zinc/37/95/21/567379521.db2.gz QBJKGXSOWRDGRY-ZDUSSCGKSA-N 1 3 390.316 3.406 20 0 GGADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1cc(F)c(Br)cc1F ZINC000527859574 567379524 /nfs/dbraw/zinc/37/95/24/567379524.db2.gz QBJKGXSOWRDGRY-ZDUSSCGKSA-N 1 3 390.316 3.406 20 0 GGADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000501469676 567391848 /nfs/dbraw/zinc/39/18/48/567391848.db2.gz WDAVZAHIQUMOMU-YGRLFVJLSA-N 1 3 378.685 3.374 20 0 GGADHO O=C(NC[C@H]1CCCN(CCSc2cccc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000662263752 567421667 /nfs/dbraw/zinc/42/16/67/567421667.db2.gz DSNZEOXRMNVBMH-QAPCUYQASA-N 1 3 381.973 3.012 20 0 GGADHO Brc1ccc2nc(CNC3CCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC000436468744 567425321 /nfs/dbraw/zinc/42/53/21/567425321.db2.gz GUYMJAQQKAWRHF-UHFFFAOYSA-N 1 3 386.297 3.250 20 0 GGADHO Brc1ccc(OCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000436469485 567425736 /nfs/dbraw/zinc/42/57/36/567425736.db2.gz CDOFMNHMVOBZMM-UHFFFAOYSA-N 1 3 376.298 3.482 20 0 GGADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(s2)CCNC3)[C@@H]1c1cccs1 ZINC000662474176 567439412 /nfs/dbraw/zinc/43/94/12/567439412.db2.gz UBOUFBWPEBGTDC-SCLBCKFNSA-N 1 3 375.563 3.268 20 0 GGADHO C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(s2)CCNC3)[C@@H]1c1cccs1 ZINC000662474176 567439415 /nfs/dbraw/zinc/43/94/15/567439415.db2.gz UBOUFBWPEBGTDC-SCLBCKFNSA-N 1 3 375.563 3.268 20 0 GGADHO COc1cc(CNCC2(SC)CC[NH+](C)CC2)c(Br)cc1O ZINC000570249759 567468862 /nfs/dbraw/zinc/46/88/62/567468862.db2.gz FHIOKHALVHGDTK-UHFFFAOYSA-N 1 3 389.359 3.080 20 0 GGADHO CN1CCC(O)(C[NH2+][C@@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663440356 567508485 /nfs/dbraw/zinc/50/84/85/567508485.db2.gz DOARGXISHFKTAQ-OAHLLOKOSA-N 1 3 385.371 3.422 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479339322 567526488 /nfs/dbraw/zinc/52/64/88/567526488.db2.gz XNXFVXXJBIJAND-IBGZPJMESA-N 1 3 380.374 3.442 20 0 GGADHO Ic1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000595008520 567533888 /nfs/dbraw/zinc/53/38/88/567533888.db2.gz UTWRFRZZEJBLGD-SJCJKPOMSA-N 1 3 382.289 3.352 20 0 GGADHO Ic1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000595008520 567533891 /nfs/dbraw/zinc/53/38/91/567533891.db2.gz UTWRFRZZEJBLGD-SJCJKPOMSA-N 1 3 382.289 3.352 20 0 GGADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1ccc2cc(Br)ccc2c1 ZINC000571275869 567550857 /nfs/dbraw/zinc/55/08/57/567550857.db2.gz WHWBTTKEYZYJNW-MJXNMMHHSA-N 1 3 393.325 3.323 20 0 GGADHO O[C@@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)COCc1cccs1 ZINC000644532487 567557005 /nfs/dbraw/zinc/55/70/05/567557005.db2.gz WAWHAXRMFFCTFZ-KRWDZBQOSA-N 1 3 380.579 3.189 20 0 GGADHO Cc1cc2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)oc2c(Br)c1 ZINC000571833779 567592290 /nfs/dbraw/zinc/59/22/90/567592290.db2.gz ISNIBZKDQWESCD-UHFFFAOYSA-N 1 3 396.329 3.069 20 0 GGADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCc4cccc(Br)c4C3)C2)CC1 ZINC000645155427 567608781 /nfs/dbraw/zinc/60/87/81/567608781.db2.gz VPKKIEIOESISCV-IRXDYDNUSA-N 1 3 392.385 3.065 20 0 GGADHO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CCC(C[NH+](C)C)CC1 ZINC000481069573 567655689 /nfs/dbraw/zinc/65/56/89/567655689.db2.gz FTKZOIYSSXRQIE-HNNXBMFYSA-N 1 3 396.373 3.070 20 0 GGADHO C[N@@H+]1CCC[C@H](CCNCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000459737459 567656361 /nfs/dbraw/zinc/65/63/61/567656361.db2.gz RHQZLMBDRSATKD-OAHLLOKOSA-N 1 3 377.330 3.456 20 0 GGADHO C[N@H+]1CCC[C@H](CCNCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000459737459 567656366 /nfs/dbraw/zinc/65/63/66/567656366.db2.gz RHQZLMBDRSATKD-OAHLLOKOSA-N 1 3 377.330 3.456 20 0 GGADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Br)ccc2Cl)CC1 ZINC000531758938 567677142 /nfs/dbraw/zinc/67/71/42/567677142.db2.gz DGPVGYFHOMEDRN-UHFFFAOYSA-N 1 3 375.738 3.427 20 0 GGADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000572961667 567678144 /nfs/dbraw/zinc/67/81/44/567678144.db2.gz RKMREAAMIFTVBX-OALUTQOASA-N 1 3 389.337 3.349 20 0 GGADHO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442860497 567712923 /nfs/dbraw/zinc/71/29/23/567712923.db2.gz BSGPROICVFDZQL-AWEZNQCLSA-N 1 3 386.353 3.135 20 0 GGADHO Cc1nn(-c2ccc(Br)cc2)cc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666952349 567713958 /nfs/dbraw/zinc/71/39/58/567713958.db2.gz SMAZGBNPFRQOKJ-KRWDZBQOSA-N 1 3 375.314 3.175 20 0 GGADHO CN1CCN(CC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1(C)C ZINC000442871139 567714643 /nfs/dbraw/zinc/71/46/43/567714643.db2.gz HFEZKNLHIITNMQ-KRWDZBQOSA-N 1 3 384.337 3.191 20 0 GGADHO C[C@H](CN[C@@H](C)CC(=O)Nc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000532474126 567718426 /nfs/dbraw/zinc/71/84/26/567718426.db2.gz UKSXNGUMCQBSCC-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)CN1CCCC1 ZINC000532474126 567718432 /nfs/dbraw/zinc/71/84/32/567718432.db2.gz UKSXNGUMCQBSCC-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1cccc(Br)c1)C[NH+]1CCCC1 ZINC000532474128 567719081 /nfs/dbraw/zinc/71/90/81/567719081.db2.gz UKSXNGUMCQBSCC-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)CN1CCCC1 ZINC000532474128 567719086 /nfs/dbraw/zinc/71/90/86/567719086.db2.gz UKSXNGUMCQBSCC-GJZGRUSLSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121226 567760397 /nfs/dbraw/zinc/76/03/97/567760397.db2.gz QFPJQJPQYNMWFY-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121226 567760400 /nfs/dbraw/zinc/76/04/00/567760400.db2.gz QFPJQJPQYNMWFY-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121226 567760403 /nfs/dbraw/zinc/76/04/03/567760403.db2.gz QFPJQJPQYNMWFY-LSDHHAIUSA-N 1 3 382.346 3.488 20 0 GGADHO C[N@H+](C[C@H](O)CNCC1(c2ccc(Br)cc2Cl)CC1)C1CC1 ZINC000574445366 567778834 /nfs/dbraw/zinc/77/88/34/567778834.db2.gz ZSXBKWBCPIYTQM-CQSZACIVSA-N 1 3 387.749 3.179 20 0 GGADHO C[N@@H+](C[C@H](O)CNCC1(c2ccc(Br)cc2Cl)CC1)C1CC1 ZINC000574445366 567778839 /nfs/dbraw/zinc/77/88/39/567778839.db2.gz ZSXBKWBCPIYTQM-CQSZACIVSA-N 1 3 387.749 3.179 20 0 GGADHO C[C@@H](CC[NH2+]C[C@H](O)COc1cccc(Br)c1)N1CCCCC1 ZINC000574632154 567789231 /nfs/dbraw/zinc/78/92/31/567789231.db2.gz XVNRTWYMYXJZCQ-RDJZCZTQSA-N 1 3 385.346 3.043 20 0 GGADHO C[C@H](CC[NH2+]C[C@@H](O)COc1cccc(Br)c1)N1CCCCC1 ZINC000574632151 567789668 /nfs/dbraw/zinc/78/96/68/567789668.db2.gz XVNRTWYMYXJZCQ-NVXWUHKLSA-N 1 3 385.346 3.043 20 0 GGADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)Cc1ccc(Br)cc1 ZINC000555665716 567794297 /nfs/dbraw/zinc/79/42/97/567794297.db2.gz CACSPZGHLDROEO-KRWDZBQOSA-N 1 3 381.358 3.064 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cncc(Br)c1C ZINC000668159868 567799463 /nfs/dbraw/zinc/79/94/63/567799463.db2.gz JJAUCDJIBIGHCB-QGZVFWFLSA-N 1 3 383.378 3.000 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cncc(Br)c1C ZINC000668159868 567799467 /nfs/dbraw/zinc/79/94/67/567799467.db2.gz JJAUCDJIBIGHCB-QGZVFWFLSA-N 1 3 383.378 3.000 20 0 GGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1Cl ZINC000647987298 567810025 /nfs/dbraw/zinc/81/00/25/567810025.db2.gz GUOOLGAEIUZNMK-ZNMIVQPWSA-N 1 3 384.351 3.492 20 0 GGADHO COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1-c1nnn[n-]1 ZINC000821818196 599397380 /nfs/dbraw/zinc/39/73/80/599397380.db2.gz KUSORSHQOWTZFZ-UHFFFAOYSA-N 1 3 392.507 3.151 20 0 GGADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000833614334 605219388 /nfs/dbraw/zinc/21/93/88/605219388.db2.gz GHKIILOAAFWDEK-IBGZPJMESA-N 1 3 387.568 3.480 20 0 GGADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000833614334 605219390 /nfs/dbraw/zinc/21/93/90/605219390.db2.gz GHKIILOAAFWDEK-IBGZPJMESA-N 1 3 387.568 3.480 20 0 GGADHO COc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)N2CCCC2)cc1 ZINC000053250496 1406343430 /nfs/dbraw/zinc/34/34/30/1406343430.db2.gz UFNWLTUOPZPGHG-OAQYLSRUSA-N 1 3 388.556 3.004 20 0 GGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000054718015 1406812072 /nfs/dbraw/zinc/81/20/72/1406812072.db2.gz SIUFLPJPMPBPNY-GCJKJVERSA-N 1 3 380.536 3.383 20 0 GGADHO CN(C)[C@H](CNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(F)cc1 ZINC000056341983 1407304642 /nfs/dbraw/zinc/30/46/42/1407304642.db2.gz XERAYVPNFZKTON-WOJBJXKFSA-N 1 3 390.478 3.170 20 0 GGADHO COc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCCC2)N2CCCC2)cc1 ZINC000047748199 1404919855 /nfs/dbraw/zinc/91/98/55/1404919855.db2.gz XWAMXXTVUQRJPF-FQEVSTJZSA-N 1 3 388.556 3.006 20 0 GGADHO CC1CCN([C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)c2cccs2)CC1 ZINC000047915645 1404995394 /nfs/dbraw/zinc/99/53/94/1404995394.db2.gz WPNKJDXYSKJZTI-IBGZPJMESA-N 1 3 390.597 3.447 20 0 GGADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000047964778 1405012733 /nfs/dbraw/zinc/01/27/33/1405012733.db2.gz FRRHNAIRKLSBHY-HSZRJFAPSA-N 1 3 392.547 3.356 20 0 GGADHO C[NH+](C)CCOc1cccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC000048717351 1405267218 /nfs/dbraw/zinc/26/72/18/1405267218.db2.gz LTUCNBSLGFNWII-UHFFFAOYSA-N 1 3 394.475 3.036 20 0 GGADHO Cc1cc(C)n(-c2ccc(CNCc3ccc(OCC[NH+](C)C)cc3)cn2)n1 ZINC000048743737 1405278291 /nfs/dbraw/zinc/27/82/91/1405278291.db2.gz TWWRINVIMBLROQ-UHFFFAOYSA-N 1 3 379.508 3.114 20 0 GGADHO CC[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)N1CCc2ccccc2C1 ZINC000049164752 1405347609 /nfs/dbraw/zinc/34/76/09/1405347609.db2.gz LGOBCNGCRVSLIM-HSZRJFAPSA-N 1 3 394.563 3.384 20 0 GGADHO C[C@@H](Sc1ccccc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797598 1405655425 /nfs/dbraw/zinc/65/54/25/1405655425.db2.gz DXVXKYZHTZWHHJ-OAHLLOKOSA-N 1 3 396.000 3.495 20 0 GGADHO CC(C)Sc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797638 1405655920 /nfs/dbraw/zinc/65/59/20/1405655920.db2.gz MDSPWIAWJHAXIR-UHFFFAOYSA-N 1 3 375.582 3.476 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)CC2)CC1 ZINC000050797755 1405656224 /nfs/dbraw/zinc/65/62/24/1405656224.db2.gz GVGLFHWSPZSBOP-IRXDYDNUSA-N 1 3 375.479 3.030 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)CC1 ZINC000050797526 1405656318 /nfs/dbraw/zinc/65/63/18/1405656318.db2.gz OEJSGFZDNNRRLK-UHFFFAOYSA-N 1 3 387.421 3.133 20 0 GGADHO CCSCc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797249 1405656391 /nfs/dbraw/zinc/65/63/91/1405656391.db2.gz PUUGJKKPUPGMKH-UHFFFAOYSA-N 1 3 375.582 3.228 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC000050797839 1405656869 /nfs/dbraw/zinc/65/68/69/1405656869.db2.gz PIBUHTFDLNBWNB-HUUCEWRRSA-N 1 3 375.479 3.030 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4cccc(Cl)c4)CC3)CC2)CC1 ZINC000050798976 1405657750 /nfs/dbraw/zinc/65/77/50/1405657750.db2.gz QXAHOQZPRQTLKG-UHFFFAOYSA-N 1 3 375.944 3.046 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(OC4CCCC4)cc3)CC2)CC1 ZINC000050798742 1405658494 /nfs/dbraw/zinc/65/84/94/1405658494.db2.gz PACQTSLOVPCRKR-UHFFFAOYSA-N 1 3 385.552 3.296 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CCSc3ccc(Cl)cc3)CC2)CC1 ZINC000050802317 1405658932 /nfs/dbraw/zinc/65/89/32/1405658932.db2.gz QXTWZNVNMFYZMG-UHFFFAOYSA-N 1 3 396.000 3.497 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3coc4cc5c(cc34)CCC5)CC2)CC1 ZINC000050802775 1405659592 /nfs/dbraw/zinc/65/95/92/1405659592.db2.gz AKUOYIQYSNDJJU-UHFFFAOYSA-N 1 3 395.547 3.139 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CSCc3ccc(Cl)cc3)CC2)CC1 ZINC000050802977 1405659637 /nfs/dbraw/zinc/65/96/37/1405659637.db2.gz CPDWUUVIIQFKIO-UHFFFAOYSA-N 1 3 396.000 3.248 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000051238259 1405751887 /nfs/dbraw/zinc/75/18/87/1405751887.db2.gz DBOKFVGXEOZCIJ-UHFFFAOYSA-N 1 3 398.473 3.063 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3c3cccs3)CC2)CC1 ZINC000051759571 1405860583 /nfs/dbraw/zinc/86/05/83/1405860583.db2.gz RJQABFJAWYDDDJ-SFHVURJKSA-N 1 3 376.570 3.153 20 0 GGADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759118 1405860719 /nfs/dbraw/zinc/86/07/19/1405860719.db2.gz XNANKIDZYXVUCL-MRXNPFEDSA-N 1 3 376.520 3.087 20 0 GGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cc2ccccc2o1 ZINC000051759365 1405860766 /nfs/dbraw/zinc/86/07/66/1405860766.db2.gz CFXXXULGPATUJU-INIZCTEOSA-N 1 3 384.524 3.352 20 0 GGADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1Cl ZINC000051759641 1405860823 /nfs/dbraw/zinc/86/08/23/1405860823.db2.gz HKUGXQGWXOMPAF-OAHLLOKOSA-N 1 3 378.948 3.259 20 0 GGADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1OC ZINC000051760848 1405861187 /nfs/dbraw/zinc/86/11/87/1405861187.db2.gz VKIGNRUHPTXXML-HXUWFJFHSA-N 1 3 388.556 3.004 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCCC[C@@H]3c3ccncc3)CC2)CC1 ZINC000051759951 1405861210 /nfs/dbraw/zinc/86/12/10/1405861210.db2.gz XUZFCXNGASKPHX-JOCHJYFZSA-N 1 3 399.583 3.267 20 0 GGADHO Cc1cc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000051760937 1405861338 /nfs/dbraw/zinc/86/13/38/1405861338.db2.gz HULOAHCCAMWQBF-OAHLLOKOSA-N 1 3 378.586 3.284 20 0 GGADHO Cc1ccccc1[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051777819 1405862735 /nfs/dbraw/zinc/86/27/35/1405862735.db2.gz OYWKMSPWMFKKLU-JOCHJYFZSA-N 1 3 384.568 3.400 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3CCc3ccccc3)CC2)CC1 ZINC000051777899 1405862804 /nfs/dbraw/zinc/86/28/04/1405862804.db2.gz ZFUCWWSTWHICMK-QHCPKHFHSA-N 1 3 398.595 3.352 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)NCc2ccccc2C[NH+]2CCCC2)o1 ZINC000056813604 1407441522 /nfs/dbraw/zinc/44/15/22/1407441522.db2.gz RSQFYHGGJQIGRH-UHFFFAOYSA-N 1 3 398.551 3.457 20 0 GGADHO COc1ccc([C@H](CNC(=O)NC[C@H](C)[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000057166097 1407540730 /nfs/dbraw/zinc/54/07/30/1407540730.db2.gz DPZKGLDZBIGCKH-RXVVDRJESA-N 1 3 388.556 3.006 20 0 GGADHO C#CCN1CCC(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000057172647 1407544442 /nfs/dbraw/zinc/54/44/42/1407544442.db2.gz MKBWZHIASPYNKI-BGYRXZFFSA-N 1 3 381.564 3.126 20 0 GGADHO C#CCN1CCC(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000057172647 1407544449 /nfs/dbraw/zinc/54/44/49/1407544449.db2.gz MKBWZHIASPYNKI-BGYRXZFFSA-N 1 3 381.564 3.126 20 0 GGADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000057425864 1407613362 /nfs/dbraw/zinc/61/33/62/1407613362.db2.gz JXTGMJYCYVKBHI-UHFFFAOYSA-N 1 3 378.536 3.208 20 0 GGADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000176349674 1428262555 /nfs/dbraw/zinc/26/25/55/1428262555.db2.gz XSKHCPBXQKSVTL-LJQANCHMSA-N 1 3 396.620 3.076 20 0 GGADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000176349674 1428262569 /nfs/dbraw/zinc/26/25/69/1428262569.db2.gz XSKHCPBXQKSVTL-LJQANCHMSA-N 1 3 396.620 3.076 20 0 GGADHO Cc1cc(C)cc(C[C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000176381939 1428287206 /nfs/dbraw/zinc/28/72/06/1428287206.db2.gz PJGJYFLLSDTICW-IBGZPJMESA-N 1 3 386.584 3.092 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CCCCC3)cc2)CC1 ZINC000061115396 1408079174 /nfs/dbraw/zinc/07/91/74/1408079174.db2.gz MNXBCWYXPUNORP-UHFFFAOYSA-N 1 3 386.584 3.211 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](C)[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000061159894 1408085120 /nfs/dbraw/zinc/08/51/20/1408085120.db2.gz HZDBTGVUNGKCRC-WOJBJXKFSA-N 1 3 386.584 3.210 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](C)[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000061159894 1408085131 /nfs/dbraw/zinc/08/51/31/1408085131.db2.gz HZDBTGVUNGKCRC-WOJBJXKFSA-N 1 3 386.584 3.210 20 0 GGADHO CCC(CC)[C@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000063147015 1408307164 /nfs/dbraw/zinc/30/71/64/1408307164.db2.gz YQAIMBALRZENCR-NRFANRHFSA-N 1 3 390.641 3.482 20 0 GGADHO CC(C)(CNC(=S)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000063144212 1408307438 /nfs/dbraw/zinc/30/74/38/1408307438.db2.gz KXRSDVNSTDSYCB-UHFFFAOYSA-N 1 3 388.625 3.380 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000063710809 1408394755 /nfs/dbraw/zinc/39/47/55/1408394755.db2.gz XKMVKCYGBWNWNX-WOJBJXKFSA-N 1 3 375.532 3.274 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000063710809 1408394760 /nfs/dbraw/zinc/39/47/60/1408394760.db2.gz XKMVKCYGBWNWNX-WOJBJXKFSA-N 1 3 375.532 3.274 20 0 GGADHO NC(=O)COc1ccc(CNCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063776028 1408407608 /nfs/dbraw/zinc/40/76/08/1408407608.db2.gz XLLFJUQHMFKUSU-UHFFFAOYSA-N 1 3 381.520 3.217 20 0 GGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000065448386 1408671106 /nfs/dbraw/zinc/67/11/06/1408671106.db2.gz XTWWHJCXATXJFG-HXUWFJFHSA-N 1 3 378.605 3.406 20 0 GGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000065448386 1408671111 /nfs/dbraw/zinc/67/11/11/1408671111.db2.gz XTWWHJCXATXJFG-HXUWFJFHSA-N 1 3 378.605 3.406 20 0 GGADHO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000065858193 1408743123 /nfs/dbraw/zinc/74/31/23/1408743123.db2.gz YRUNZISJUCFODA-HXUWFJFHSA-N 1 3 375.532 3.276 20 0 GGADHO CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000066394906 1408829777 /nfs/dbraw/zinc/82/97/77/1408829777.db2.gz DVHMHGSHPXPGGZ-LJQANCHMSA-N 1 3 375.532 3.371 20 0 GGADHO CC[NH+](CC)C1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 ZINC000066395066 1408830168 /nfs/dbraw/zinc/83/01/68/1408830168.db2.gz SKMQAMKCMCZZHI-UHFFFAOYSA-N 1 3 386.584 3.163 20 0 GGADHO CN1CCN(c2ncccc2C[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000066877034 1408940011 /nfs/dbraw/zinc/94/00/11/1408940011.db2.gz XAKKUMKLPSDTME-UHFFFAOYSA-N 1 3 393.304 3.025 20 0 GGADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000066960599 1408963921 /nfs/dbraw/zinc/96/39/21/1408963921.db2.gz PEGFXNXHBLDOFU-SFHVURJKSA-N 1 3 377.548 3.317 20 0 GGADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000066960599 1408963924 /nfs/dbraw/zinc/96/39/24/1408963924.db2.gz PEGFXNXHBLDOFU-SFHVURJKSA-N 1 3 377.548 3.317 20 0 GGADHO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000067507083 1409139732 /nfs/dbraw/zinc/13/97/32/1409139732.db2.gz MBWMOCASTODXQY-NRFANRHFSA-N 1 3 395.547 3.155 20 0 GGADHO CCNC(=O)c1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000067668728 1409203304 /nfs/dbraw/zinc/20/33/04/1409203304.db2.gz VZHRUXWOIPLNTH-UHFFFAOYSA-N 1 3 381.520 3.201 20 0 GGADHO CCCOc1ccc(Br)cc1C[NH2+]C[C@H](C)N1CCN(CC)CC1 ZINC000067671585 1409203839 /nfs/dbraw/zinc/20/38/39/1409203839.db2.gz QUYKMGSXUJRTPO-INIZCTEOSA-N 1 3 398.389 3.354 20 0 GGADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000067734556 1409217389 /nfs/dbraw/zinc/21/73/89/1409217389.db2.gz RGBBJRIICMHQPQ-NRFANRHFSA-N 1 3 384.568 3.168 20 0 GGADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCC2)CC1 ZINC000067734556 1409217394 /nfs/dbraw/zinc/21/73/94/1409217394.db2.gz RGBBJRIICMHQPQ-NRFANRHFSA-N 1 3 384.568 3.168 20 0 GGADHO CCN(CC)CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000068444103 1409404410 /nfs/dbraw/zinc/40/44/10/1409404410.db2.gz HLSQOVVYENDJBE-UHFFFAOYSA-N 1 3 385.474 3.470 20 0 GGADHO CCN(CC)CC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000068444103 1409404414 /nfs/dbraw/zinc/40/44/14/1409404414.db2.gz HLSQOVVYENDJBE-UHFFFAOYSA-N 1 3 385.474 3.470 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000068449855 1409405790 /nfs/dbraw/zinc/40/57/90/1409405790.db2.gz CLBCSHNWUMIKOT-IBGZPJMESA-N 1 3 375.532 3.418 20 0 GGADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000068581852 1409444710 /nfs/dbraw/zinc/44/47/10/1409444710.db2.gz IPKNEGGPDPIKSA-LJQANCHMSA-N 1 3 392.563 3.411 20 0 GGADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000068581852 1409444717 /nfs/dbraw/zinc/44/47/17/1409444717.db2.gz IPKNEGGPDPIKSA-LJQANCHMSA-N 1 3 392.563 3.411 20 0 GGADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000068581858 1409444738 /nfs/dbraw/zinc/44/47/38/1409444738.db2.gz IPKNEGGPDPIKSA-IBGZPJMESA-N 1 3 392.563 3.411 20 0 GGADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000068581858 1409444744 /nfs/dbraw/zinc/44/47/44/1409444744.db2.gz IPKNEGGPDPIKSA-IBGZPJMESA-N 1 3 392.563 3.411 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000068580508 1409444779 /nfs/dbraw/zinc/44/47/79/1409444779.db2.gz XAJFAZQVHYXYKF-UHFFFAOYSA-N 1 3 378.536 3.019 20 0 GGADHO C[C@@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000068592724 1409447019 /nfs/dbraw/zinc/44/70/19/1409447019.db2.gz VHGOPFKCGRDVPV-HNNXBMFYSA-N 1 3 388.478 3.119 20 0 GGADHO CC(C)(C)n1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000069748074 1409691332 /nfs/dbraw/zinc/69/13/32/1409691332.db2.gz GWRLZAXJZSYYMW-UHFFFAOYSA-N 1 3 383.584 3.326 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000176720306 1428433374 /nfs/dbraw/zinc/43/33/74/1428433374.db2.gz WAMHKOVIGILPIM-UNMCSNQZSA-N 1 3 399.579 3.191 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000176720306 1428433376 /nfs/dbraw/zinc/43/33/76/1428433376.db2.gz WAMHKOVIGILPIM-UNMCSNQZSA-N 1 3 399.579 3.191 20 0 GGADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000071913347 1409829975 /nfs/dbraw/zinc/82/99/75/1409829975.db2.gz MABAUZNIISJSCX-LJQANCHMSA-N 1 3 386.565 3.446 20 0 GGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000072025992 1409838245 /nfs/dbraw/zinc/83/82/45/1409838245.db2.gz FGQIGYXLQXHLCC-KURKYZTESA-N 1 3 378.586 3.305 20 0 GGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000072025992 1409838247 /nfs/dbraw/zinc/83/82/47/1409838247.db2.gz FGQIGYXLQXHLCC-KURKYZTESA-N 1 3 378.586 3.305 20 0 GGADHO C[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044422 1409840648 /nfs/dbraw/zinc/84/06/48/1409840648.db2.gz OINOHNPYLYKKOJ-ZWKOTPCHSA-N 1 3 378.586 3.305 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000074103604 1409869547 /nfs/dbraw/zinc/86/95/47/1409869547.db2.gz ZSEVEIKWXIPEFS-UNMCSNQZSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000074103604 1409869549 /nfs/dbraw/zinc/86/95/49/1409869549.db2.gz ZSEVEIKWXIPEFS-UNMCSNQZSA-N 1 3 386.584 3.413 20 0 GGADHO Cc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)c(C[NH+](C)C)c1 ZINC000074677766 1409875336 /nfs/dbraw/zinc/87/53/36/1409875336.db2.gz ANJCBKFWRMOVSX-UHFFFAOYSA-N 1 3 380.536 3.207 20 0 GGADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000074833175 1409877154 /nfs/dbraw/zinc/87/71/54/1409877154.db2.gz GMTJJQWYKGQYOL-RBBKRZOGSA-N 1 3 386.584 3.225 20 0 GGADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000074833175 1409877156 /nfs/dbraw/zinc/87/71/56/1409877156.db2.gz GMTJJQWYKGQYOL-RBBKRZOGSA-N 1 3 386.584 3.225 20 0 GGADHO CN1CCN(Cc2cccc(C[NH2+]Cc3ccc(OC(F)F)cc3)c2)CC1 ZINC000076400241 1409888473 /nfs/dbraw/zinc/88/84/73/1409888473.db2.gz KOHIMRFXEVSSNL-UHFFFAOYSA-N 1 3 375.463 3.325 20 0 GGADHO CCCC[N@H+](C)CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000077695211 1409898914 /nfs/dbraw/zinc/89/89/14/1409898914.db2.gz DHQRPDOPGOYFJK-UHFFFAOYSA-N 1 3 378.586 3.131 20 0 GGADHO CCCC[N@@H+](C)CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000077695211 1409898916 /nfs/dbraw/zinc/89/89/16/1409898916.db2.gz DHQRPDOPGOYFJK-UHFFFAOYSA-N 1 3 378.586 3.131 20 0 GGADHO C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000077712092 1409898973 /nfs/dbraw/zinc/89/89/73/1409898973.db2.gz KYIPNYMGSMSQHN-QFIPXVFZSA-N 1 3 380.536 3.212 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000077811151 1409902000 /nfs/dbraw/zinc/90/20/00/1409902000.db2.gz UNAPDHMOCNOJBK-UNMCSNQZSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000077811151 1409902012 /nfs/dbraw/zinc/90/20/12/1409902012.db2.gz UNAPDHMOCNOJBK-UNMCSNQZSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000078522877 1409924050 /nfs/dbraw/zinc/92/40/50/1409924050.db2.gz BREFJFJZYVWGHK-MSOLQXFVSA-N 1 3 378.586 3.305 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000078522877 1409924055 /nfs/dbraw/zinc/92/40/55/1409924055.db2.gz BREFJFJZYVWGHK-MSOLQXFVSA-N 1 3 378.586 3.305 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000079251091 1409963989 /nfs/dbraw/zinc/96/39/89/1409963989.db2.gz TXEUFRQXTNWGKZ-RTBURBONSA-N 1 3 378.586 3.401 20 0 GGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079224243 1409964493 /nfs/dbraw/zinc/96/44/93/1409964493.db2.gz WLDJTNOOUVRZKL-QZTJIDSGSA-N 1 3 376.570 3.155 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000080165726 1410002153 /nfs/dbraw/zinc/00/21/53/1410002153.db2.gz SZOUCCJXDPNBQM-FPOVZHCZSA-N 1 3 384.568 3.309 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080165726 1410002160 /nfs/dbraw/zinc/00/21/60/1410002160.db2.gz SZOUCCJXDPNBQM-FPOVZHCZSA-N 1 3 384.568 3.309 20 0 GGADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000081333734 1410018049 /nfs/dbraw/zinc/01/80/49/1410018049.db2.gz AHSHVLMUEYJLDV-WOJBJXKFSA-N 1 3 375.532 3.228 20 0 GGADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000081361705 1410018556 /nfs/dbraw/zinc/01/85/56/1410018556.db2.gz URGGJSWYLZYNIF-FQEVSTJZSA-N 1 3 386.584 3.021 20 0 GGADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000081361705 1410018565 /nfs/dbraw/zinc/01/85/65/1410018565.db2.gz URGGJSWYLZYNIF-FQEVSTJZSA-N 1 3 386.584 3.021 20 0 GGADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000084442091 1410036589 /nfs/dbraw/zinc/03/65/89/1410036589.db2.gz SVCZNCKZYHUDOZ-GOSISDBHSA-N 1 3 378.586 3.086 20 0 GGADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000084442091 1410036601 /nfs/dbraw/zinc/03/66/01/1410036601.db2.gz SVCZNCKZYHUDOZ-GOSISDBHSA-N 1 3 378.586 3.086 20 0 GGADHO COCc1cc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)ccc1OC ZINC000090525210 1410063989 /nfs/dbraw/zinc/06/39/89/1410063989.db2.gz CMEBJXYCSUCIHD-CZAAIQMYSA-N 1 3 376.541 3.260 20 0 GGADHO COCc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)ccc1OC ZINC000090525201 1410064500 /nfs/dbraw/zinc/06/45/00/1410064500.db2.gz CMEBJXYCSUCIHD-DQLDELGASA-N 1 3 376.541 3.260 20 0 GGADHO COCCOc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090524153 1410064683 /nfs/dbraw/zinc/06/46/83/1410064683.db2.gz CQGDZTPDFOGFBP-WTOYTKOKSA-N 1 3 376.541 3.130 20 0 GGADHO CC(C)N(C)C(=O)C1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000091952874 1410095253 /nfs/dbraw/zinc/09/52/53/1410095253.db2.gz PLYFJQLBZXSRCI-UHFFFAOYSA-N 1 3 387.568 3.240 20 0 GGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000092426854 1410157150 /nfs/dbraw/zinc/15/71/50/1410157150.db2.gz UUXDYYLVLVEION-AATRIKPKSA-N 1 3 375.532 3.255 20 0 GGADHO CCCOc1cccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000092426882 1410157187 /nfs/dbraw/zinc/15/71/87/1410157187.db2.gz CMXRRNCKPCMTNW-UHFFFAOYSA-N 1 3 389.584 3.391 20 0 GGADHO Cc1cc(F)ccc1-c1ccc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)o1 ZINC000092615695 1410180245 /nfs/dbraw/zinc/18/02/45/1410180245.db2.gz DNXRFZAJLYHLBE-UHFFFAOYSA-N 1 3 387.499 3.284 20 0 GGADHO Cc1ccc(CNC(=O)CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000092821129 1410203997 /nfs/dbraw/zinc/20/39/97/1410203997.db2.gz LBXFENLHVDSRKE-UHFFFAOYSA-N 1 3 380.536 3.245 20 0 GGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(C)Cc1ccccc1 ZINC000092821061 1410204121 /nfs/dbraw/zinc/20/41/21/1410204121.db2.gz KPFUZIWJJMCIKH-UHFFFAOYSA-N 1 3 380.536 3.279 20 0 GGADHO O=C1CCCCN1C1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093741837 1410262529 /nfs/dbraw/zinc/26/25/29/1410262529.db2.gz NWAJRIYHQUJXHV-UHFFFAOYSA-N 1 3 385.552 3.138 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3-c3cccnc3)CC2)C[C@@H](C)O1 ZINC000093844270 1410274455 /nfs/dbraw/zinc/27/44/55/1410274455.db2.gz OLQLCEKPLRIFNF-RTBURBONSA-N 1 3 397.567 3.193 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3-c3ccncc3)CC2)C[C@H](C)O1 ZINC000093844418 1410274579 /nfs/dbraw/zinc/27/45/79/1410274579.db2.gz XEFANQODLGVPBT-KDURUIRLSA-N 1 3 397.567 3.193 20 0 GGADHO C[C@@H]1C[NH+](CCC2CCN(Cc3ccc(N4CCCC4)nc3)CC2)C[C@@H](C)O1 ZINC000093844297 1410274645 /nfs/dbraw/zinc/27/46/45/1410274645.db2.gz VJCSDPNNTUFWAT-WOJBJXKFSA-N 1 3 386.584 3.393 20 0 GGADHO COc1cccc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000093844328 1410274863 /nfs/dbraw/zinc/27/48/63/1410274863.db2.gz KXLBWFFRTCBLAI-HDICACEKSA-N 1 3 376.541 3.415 20 0 GGADHO COc1cccc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000093844328 1410274871 /nfs/dbraw/zinc/27/48/71/1410274871.db2.gz KXLBWFFRTCBLAI-HDICACEKSA-N 1 3 376.541 3.415 20 0 GGADHO CCc1nn(C)c(CC)c1C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000093844494 1410275040 /nfs/dbraw/zinc/27/50/40/1410275040.db2.gz KCRNICMDOWDHLT-QZTJIDSGSA-N 1 3 376.589 3.256 20 0 GGADHO C[C@H]1CN(CCC2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)C[C@H](C)O1 ZINC000093844404 1410275239 /nfs/dbraw/zinc/27/52/39/1410275239.db2.gz INMDPDDRVKAEIU-ROUUACIJSA-N 1 3 383.540 3.183 20 0 GGADHO COc1cccc(CN2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1OC ZINC000093844330 1410275501 /nfs/dbraw/zinc/27/55/01/1410275501.db2.gz KXLBWFFRTCBLAI-QZTJIDSGSA-N 1 3 376.541 3.415 20 0 GGADHO CC1(C)CC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC(C)(C)[NH2+]1 ZINC000096626719 1410335474 /nfs/dbraw/zinc/33/54/74/1410335474.db2.gz AILCVMKVUDUFOE-KRWDZBQOSA-N 1 3 375.532 3.463 20 0 GGADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000097257191 1410360779 /nfs/dbraw/zinc/36/07/79/1410360779.db2.gz ULSWTHAHDZLNBG-SFHVURJKSA-N 1 3 390.572 3.396 20 0 GGADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000097257191 1410360791 /nfs/dbraw/zinc/36/07/91/1410360791.db2.gz ULSWTHAHDZLNBG-SFHVURJKSA-N 1 3 390.572 3.396 20 0 GGADHO CC1CC[NH+](CCCCNC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000097437682 1410369729 /nfs/dbraw/zinc/36/97/29/1410369729.db2.gz RXVHVRHAUVENCP-UHFFFAOYSA-N 1 3 396.645 3.159 20 0 GGADHO Cc1nc(-c2ccsc2)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000101861241 1410509909 /nfs/dbraw/zinc/50/99/09/1410509909.db2.gz OWOXLURJBGVGKP-UHFFFAOYSA-N 1 3 398.576 3.407 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)NCc2ccccc2OCC[NH+](C)C)N(C)C)cc1 ZINC000102005359 1410542076 /nfs/dbraw/zinc/54/20/76/1410542076.db2.gz PVQVECIZCCEFLK-OAQYLSRUSA-N 1 3 398.551 3.038 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCCN2CCC(C)CC2)c1 ZINC000102559502 1410651428 /nfs/dbraw/zinc/65/14/28/1410651428.db2.gz BRBIIVLNHIAYNX-QGZVFWFLSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCCC[NH+]2CCC(C)CC2)c1 ZINC000102559502 1410651454 /nfs/dbraw/zinc/65/14/54/1410651454.db2.gz BRBIIVLNHIAYNX-QGZVFWFLSA-N 1 3 377.529 3.133 20 0 GGADHO Cn1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000103173660 1410834082 /nfs/dbraw/zinc/83/40/82/1410834082.db2.gz JQRNKRCQQNCFAN-HXUWFJFHSA-N 1 3 375.520 3.136 20 0 GGADHO Cc1ccc(C(C)(C)CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000103312119 1410846207 /nfs/dbraw/zinc/84/62/07/1410846207.db2.gz XPVRFBQIFZXZJW-UHFFFAOYSA-N 1 3 386.584 3.130 20 0 GGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000103321101 1410847015 /nfs/dbraw/zinc/84/70/15/1410847015.db2.gz IOFIZKPQNJWPDS-UHFFFAOYSA-N 1 3 380.964 3.145 20 0 GGADHO C[NH+](C)CCN(Cc1ccco1)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000176906698 1428517298 /nfs/dbraw/zinc/51/72/98/1428517298.db2.gz SHJDARIVAHMROK-UHFFFAOYSA-N 1 3 398.551 3.190 20 0 GGADHO C[C@@H]1CN(CC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000103481174 1410862674 /nfs/dbraw/zinc/86/26/74/1410862674.db2.gz KVSVRMLAVKMNNZ-IAGOWNOFSA-N 1 3 393.959 3.490 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000103513449 1410865393 /nfs/dbraw/zinc/86/53/93/1410865393.db2.gz JJFRVZXBXOUXEG-QFIPXVFZSA-N 1 3 386.584 3.443 20 0 GGADHO CC[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000105126191 1411032078 /nfs/dbraw/zinc/03/20/78/1411032078.db2.gz WBARUAPVIRULDL-DENIHFKCSA-N 1 3 386.584 3.243 20 0 GGADHO CC[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)N1CCc2ccccc2C1 ZINC000105126191 1411032086 /nfs/dbraw/zinc/03/20/86/1411032086.db2.gz WBARUAPVIRULDL-DENIHFKCSA-N 1 3 386.584 3.243 20 0 GGADHO CCn1nc(C)c(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1C ZINC000105420549 1411064812 /nfs/dbraw/zinc/06/48/12/1411064812.db2.gz HPRWHSPEJPTKOX-UHFFFAOYSA-N 1 3 383.584 3.207 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000105441786 1411066350 /nfs/dbraw/zinc/06/63/50/1411066350.db2.gz UPEXISLEIPCTEW-HXUWFJFHSA-N 1 3 382.552 3.024 20 0 GGADHO CN(C)[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000107700451 1411399382 /nfs/dbraw/zinc/39/93/82/1411399382.db2.gz AIGHAROAJWYMFN-FGZHOGPDSA-N 1 3 380.536 3.426 20 0 GGADHO CC(C)(CNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[NH+]1CCCCC1 ZINC000107696136 1411399637 /nfs/dbraw/zinc/39/96/37/1411399637.db2.gz YECJTFTUTKJYKF-KRWDZBQOSA-N 1 3 378.586 3.449 20 0 GGADHO CCCOc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420753 1411495722 /nfs/dbraw/zinc/49/57/22/1411495722.db2.gz XZXXNGGCFDWJPN-QFIPXVFZSA-N 1 3 395.547 3.463 20 0 GGADHO CCCOc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420753 1411495723 /nfs/dbraw/zinc/49/57/23/1411495723.db2.gz XZXXNGGCFDWJPN-QFIPXVFZSA-N 1 3 395.547 3.463 20 0 GGADHO CCCOc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420755 1411496324 /nfs/dbraw/zinc/49/63/24/1411496324.db2.gz XZXXNGGCFDWJPN-JOCHJYFZSA-N 1 3 395.547 3.463 20 0 GGADHO CCCOc1ccc(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420755 1411496328 /nfs/dbraw/zinc/49/63/28/1411496328.db2.gz XZXXNGGCFDWJPN-JOCHJYFZSA-N 1 3 395.547 3.463 20 0 GGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000109014902 1411661011 /nfs/dbraw/zinc/66/10/11/1411661011.db2.gz XJUXHTDWBKZYLH-GGAORHGYSA-N 1 3 395.522 3.428 20 0 GGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000109014902 1411661023 /nfs/dbraw/zinc/66/10/23/1411661023.db2.gz XJUXHTDWBKZYLH-GGAORHGYSA-N 1 3 395.522 3.428 20 0 GGADHO CN(CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000109343989 1411745508 /nfs/dbraw/zinc/74/55/08/1411745508.db2.gz CQJDYNJHBOQNAT-OAQYLSRUSA-N 1 3 383.511 3.286 20 0 GGADHO CN(CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000109343989 1411745511 /nfs/dbraw/zinc/74/55/11/1411745511.db2.gz CQJDYNJHBOQNAT-OAQYLSRUSA-N 1 3 383.511 3.286 20 0 GGADHO CC[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N1CCc2ccccc2C1 ZINC000109481149 1411771334 /nfs/dbraw/zinc/77/13/34/1411771334.db2.gz WZNZKFZYBFGBQG-NRFANRHFSA-N 1 3 386.584 3.339 20 0 GGADHO CC[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)N1CCc2ccccc2C1 ZINC000109481149 1411771339 /nfs/dbraw/zinc/77/13/39/1411771339.db2.gz WZNZKFZYBFGBQG-NRFANRHFSA-N 1 3 386.584 3.339 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H](C)C[NH+]3CCCCC3)cc2)CC1 ZINC000109903303 1411817626 /nfs/dbraw/zinc/81/76/26/1411817626.db2.gz VXHSVBDBVAVWFZ-FQEVSTJZSA-N 1 3 386.584 3.069 20 0 GGADHO CN(CCC(=O)Nc1cc(N)ccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000177174412 1428614039 /nfs/dbraw/zinc/61/40/39/1428614039.db2.gz KSHXVXRTMODTAR-GOSISDBHSA-N 1 3 384.499 3.190 20 0 GGADHO CN(CCC(=O)Nc1cc(N)ccc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000177174412 1428614048 /nfs/dbraw/zinc/61/40/48/1428614048.db2.gz KSHXVXRTMODTAR-GOSISDBHSA-N 1 3 384.499 3.190 20 0 GGADHO C[C@@H]1CN(CC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000112631656 1412182669 /nfs/dbraw/zinc/18/26/69/1412182669.db2.gz WVUGYDLBGNIDRB-HDICACEKSA-N 1 3 384.524 3.100 20 0 GGADHO Cc1ccc(OCc2nc(CNCCCC[NH+]3CCN(C)CC3)cs2)cc1 ZINC000113321494 1412292542 /nfs/dbraw/zinc/29/25/42/1412292542.db2.gz VDILANNHNCDTRW-UHFFFAOYSA-N 1 3 388.581 3.148 20 0 GGADHO Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000113514808 1412311558 /nfs/dbraw/zinc/31/15/58/1412311558.db2.gz HLPNEIIPIRRSJZ-KIFXHHALSA-N 1 3 382.548 3.345 20 0 GGADHO Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000113514808 1412311564 /nfs/dbraw/zinc/31/15/64/1412311564.db2.gz HLPNEIIPIRRSJZ-KIFXHHALSA-N 1 3 382.548 3.345 20 0 GGADHO CN(CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000113601841 1412320480 /nfs/dbraw/zinc/32/04/80/1412320480.db2.gz LHMZLBBWHWOXQB-UHFFFAOYSA-N 1 3 394.563 3.424 20 0 GGADHO COc1ccc(CN(CC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C2CC2)cc1 ZINC000114455616 1412436831 /nfs/dbraw/zinc/43/68/31/1412436831.db2.gz LZBAGAPOIJWYPS-SFHVURJKSA-N 1 3 387.568 3.285 20 0 GGADHO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000114475807 1412441981 /nfs/dbraw/zinc/44/19/81/1412441981.db2.gz JOXZDFZKGCLYLY-QGZVFWFLSA-N 1 3 377.598 3.465 20 0 GGADHO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000114475807 1412441986 /nfs/dbraw/zinc/44/19/86/1412441986.db2.gz JOXZDFZKGCLYLY-QGZVFWFLSA-N 1 3 377.598 3.465 20 0 GGADHO CCCC[N@H+](C)CC1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000114475805 1412442215 /nfs/dbraw/zinc/44/22/15/1412442215.db2.gz JOXZDFZKGCLYLY-KRWDZBQOSA-N 1 3 377.598 3.465 20 0 GGADHO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000114475805 1412442220 /nfs/dbraw/zinc/44/22/20/1412442220.db2.gz JOXZDFZKGCLYLY-KRWDZBQOSA-N 1 3 377.598 3.465 20 0 GGADHO CC[C@@H]1c2ccccc2CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000114593131 1412470041 /nfs/dbraw/zinc/47/00/41/1412470041.db2.gz AVAPNLFPBQKFNV-JOCHJYFZSA-N 1 3 384.568 3.264 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c2ccccc2)CC1 ZINC000115806805 1412794816 /nfs/dbraw/zinc/79/48/16/1412794816.db2.gz PEIYDXJBFUYBPF-IFMALSPDSA-N 1 3 386.584 3.443 20 0 GGADHO CC1CCN([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000115806805 1412794833 /nfs/dbraw/zinc/79/48/33/1412794833.db2.gz PEIYDXJBFUYBPF-IFMALSPDSA-N 1 3 386.584 3.443 20 0 GGADHO CC[N@H+](C)Cc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000177298211 1428677317 /nfs/dbraw/zinc/67/73/17/1428677317.db2.gz OEAGTHIJXJAXLN-QGZVFWFLSA-N 1 3 389.565 3.239 20 0 GGADHO CC[N@@H+](C)Cc1cccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000177298211 1428677322 /nfs/dbraw/zinc/67/73/22/1428677322.db2.gz OEAGTHIJXJAXLN-QGZVFWFLSA-N 1 3 389.565 3.239 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H](C(C)(C)C)CC3)CC2)CC1 ZINC000116540472 1412874709 /nfs/dbraw/zinc/87/47/09/1412874709.db2.gz QPVMQIGIBODHHF-GOSISDBHSA-N 1 3 378.605 3.403 20 0 GGADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000116561210 1412877194 /nfs/dbraw/zinc/87/71/94/1412877194.db2.gz SFTWQNRUAGSJDQ-IBGZPJMESA-N 1 3 384.568 3.482 20 0 GGADHO O=C(CC1(N2CCOCC2)CCCC1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000119270162 1413394978 /nfs/dbraw/zinc/39/49/78/1413394978.db2.gz FHGBPDOKHYRSHK-UHFFFAOYSA-N 1 3 385.552 3.299 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000119290481 1413400789 /nfs/dbraw/zinc/40/07/89/1413400789.db2.gz CGGQWZUJKJJIFU-WOJBJXKFSA-N 1 3 375.532 3.132 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000119290481 1413400792 /nfs/dbraw/zinc/40/07/92/1413400792.db2.gz CGGQWZUJKJJIFU-WOJBJXKFSA-N 1 3 375.532 3.132 20 0 GGADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177451311 1428741971 /nfs/dbraw/zinc/74/19/71/1428741971.db2.gz CVSWNAXAOCFILZ-UHFFFAOYSA-N 1 3 398.595 3.112 20 0 GGADHO CC(C)N(C)c1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000120115470 1413693973 /nfs/dbraw/zinc/69/39/73/1413693973.db2.gz NTMRJARMEJSWPM-UHFFFAOYSA-N 1 3 387.572 3.211 20 0 GGADHO COc1cccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N2CCCC2)c1 ZINC000120123541 1413696776 /nfs/dbraw/zinc/69/67/76/1413696776.db2.gz WGGJUHZLQBBYLK-YLJYHZDGSA-N 1 3 390.572 3.108 20 0 GGADHO CC(C)Cc1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000120175877 1413718636 /nfs/dbraw/zinc/71/86/36/1413718636.db2.gz JVUYQVQCUURANO-UHFFFAOYSA-N 1 3 385.596 3.493 20 0 GGADHO CC[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000120179814 1413720607 /nfs/dbraw/zinc/72/06/07/1413720607.db2.gz AIZYOWLMTYLPEP-GOSISDBHSA-N 1 3 387.568 3.254 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)CC1 ZINC000120244935 1413748765 /nfs/dbraw/zinc/74/87/65/1413748765.db2.gz DREOKEXIKKLIQL-UHFFFAOYSA-N 1 3 397.523 3.385 20 0 GGADHO Cc1coc(-c2cccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2)n1 ZINC000120267854 1413760927 /nfs/dbraw/zinc/76/09/27/1413760927.db2.gz JGDAVTXXMJFPPL-UHFFFAOYSA-N 1 3 397.523 3.330 20 0 GGADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc(C(F)(F)F)cc1 ZINC000120424147 1413814687 /nfs/dbraw/zinc/81/46/87/1413814687.db2.gz VFCZIFBRGWCBCN-IBGZPJMESA-N 1 3 393.453 3.084 20 0 GGADHO Cc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)c1 ZINC000120436656 1413817300 /nfs/dbraw/zinc/81/73/00/1413817300.db2.gz RNWZKMJGAJSIHO-SFHVURJKSA-N 1 3 389.565 3.076 20 0 GGADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CN1Cc1ccccc1 ZINC000120713634 1413882772 /nfs/dbraw/zinc/88/27/72/1413882772.db2.gz UWDGZCNGHXXLQF-PGRDOPGGSA-N 1 3 380.536 3.210 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000177495993 1428769176 /nfs/dbraw/zinc/76/91/76/1428769176.db2.gz JPDFNFFBYADZPG-HDICACEKSA-N 1 3 391.531 3.366 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000121091359 1414004830 /nfs/dbraw/zinc/00/48/30/1414004830.db2.gz LLRNQMWGUZHOLI-HNNXBMFYSA-N 1 3 377.529 3.273 20 0 GGADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)C(C)(C)C[NH+](C)C ZINC000121123369 1414015445 /nfs/dbraw/zinc/01/54/45/1414015445.db2.gz BJLFUMFJKBAGJV-HNNXBMFYSA-N 1 3 384.515 3.014 20 0 GGADHO CC(C)(C)CNC(=O)C(C)(C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000121148206 1414024578 /nfs/dbraw/zinc/02/45/78/1414024578.db2.gz HEBIBYWFSFRKLP-UHFFFAOYSA-N 1 3 375.557 3.192 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000121280561 1414069872 /nfs/dbraw/zinc/06/98/72/1414069872.db2.gz IGTBFJPPADIKJA-QFBILLFUSA-N 1 3 387.490 3.256 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)CC1 ZINC000121280396 1414070167 /nfs/dbraw/zinc/07/01/67/1414070167.db2.gz IGTBFJPPADIKJA-APWZRJJASA-N 1 3 387.490 3.256 20 0 GGADHO COc1cccc(CNC(=O)[C@H](C)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121806162 1414263548 /nfs/dbraw/zinc/26/35/48/1414263548.db2.gz IEIMGQRAFFWGMN-IBGZPJMESA-N 1 3 387.568 3.288 20 0 GGADHO Cc1c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cccc1-c1ccccn1 ZINC000122062081 1414352853 /nfs/dbraw/zinc/35/28/53/1414352853.db2.gz YYKKAIPGRZBBBE-UHFFFAOYSA-N 1 3 392.547 3.345 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3OCC3CC3)CC2)CC1 ZINC000122080754 1414358178 /nfs/dbraw/zinc/35/81/78/1414358178.db2.gz UZQFNBDZCWHJOD-UHFFFAOYSA-N 1 3 386.540 3.156 20 0 GGADHO CN(c1ccccc1CN(CCC(N)=O)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000122115650 1414365763 /nfs/dbraw/zinc/36/57/63/1414365763.db2.gz YZUUKBUWSAEHBO-UHFFFAOYSA-N 1 3 394.563 3.095 20 0 GGADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCc1ccccc1OCC[NH+](C)C ZINC000122276252 1414409498 /nfs/dbraw/zinc/40/94/98/1414409498.db2.gz IHLUWCWPWAWPEU-OAHLLOKOSA-N 1 3 390.915 3.182 20 0 GGADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000122359286 1414433741 /nfs/dbraw/zinc/43/37/41/1414433741.db2.gz HFFNGQWVGQBPJH-GBXCKJPGSA-N 1 3 397.563 3.006 20 0 GGADHO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000122367854 1414437099 /nfs/dbraw/zinc/43/70/99/1414437099.db2.gz MXXSHUHGECBWNG-JOCHJYFZSA-N 1 3 389.584 3.003 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000122724540 1414549383 /nfs/dbraw/zinc/54/93/83/1414549383.db2.gz LYQIZKASGNCATR-DLBZAZTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000122724540 1414549391 /nfs/dbraw/zinc/54/93/91/1414549391.db2.gz LYQIZKASGNCATR-DLBZAZTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCN2CCCC[C@H]2C)c1 ZINC000122724540 1414549398 /nfs/dbraw/zinc/54/93/98/1414549398.db2.gz LYQIZKASGNCATR-DLBZAZTESA-N 1 3 377.529 3.275 20 0 GGADHO C[NH+](C)CCCC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000123516374 1414759978 /nfs/dbraw/zinc/75/99/78/1414759978.db2.gz GDRDHGJZICEICK-UHFFFAOYSA-N 1 3 382.552 3.106 20 0 GGADHO CC(=O)Nc1ccc2c(CN3CCC(CCC[NH+](C)C)CC3)cc(=O)oc2c1 ZINC000123577279 1414780625 /nfs/dbraw/zinc/78/06/25/1414780625.db2.gz IRZNFJODIJQDLZ-UHFFFAOYSA-N 1 3 385.508 3.305 20 0 GGADHO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000124046065 1414875279 /nfs/dbraw/zinc/87/52/79/1414875279.db2.gz VHWXOLGGXGJCDW-CEXWTWQISA-N 1 3 383.577 3.255 20 0 GGADHO C[NH+](C)CCCOc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000124589818 1415001009 /nfs/dbraw/zinc/00/10/09/1415001009.db2.gz DZZMCKYQUCOOGJ-UHFFFAOYSA-N 1 3 388.556 3.499 20 0 GGADHO C[C@@H](Cc1ccc(Cl)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000125188976 1415127084 /nfs/dbraw/zinc/12/70/84/1415127084.db2.gz IYWJTEVHUUMWLZ-INIZCTEOSA-N 1 3 377.960 3.193 20 0 GGADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000125479576 1415211140 /nfs/dbraw/zinc/21/11/40/1415211140.db2.gz JNNIVLQSKPBMBO-AVRDEDQJSA-N 1 3 384.568 3.213 20 0 GGADHO C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000125672566 1415251623 /nfs/dbraw/zinc/25/16/23/1415251623.db2.gz CCBKNHXLIGGYDE-KRWDZBQOSA-N 1 3 390.549 3.022 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000125721044 1415262238 /nfs/dbraw/zinc/26/22/38/1415262238.db2.gz QTQHQPWZCKRKPU-IRXDYDNUSA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000125721044 1415262245 /nfs/dbraw/zinc/26/22/45/1415262245.db2.gz QTQHQPWZCKRKPU-IRXDYDNUSA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000125721044 1415262251 /nfs/dbraw/zinc/26/22/51/1415262251.db2.gz QTQHQPWZCKRKPU-IRXDYDNUSA-N 1 3 377.529 3.131 20 0 GGADHO CN1CCC([NH+]2CCC(NCc3ccc(F)c(Br)c3)CC2)CC1 ZINC000126051690 1415345097 /nfs/dbraw/zinc/34/50/97/1415345097.db2.gz PQDONFIKLUYZRO-UHFFFAOYSA-N 1 3 384.337 3.236 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000126298853 1415409700 /nfs/dbraw/zinc/40/97/00/1415409700.db2.gz KKXXFLRYZOTELO-UHFFFAOYSA-N 1 3 386.584 3.342 20 0 GGADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)CC(=O)Nc3ccccc3)cc2)CC1 ZINC000126352673 1415424911 /nfs/dbraw/zinc/42/49/11/1415424911.db2.gz ZQIUDVOLSZRJLQ-HXUWFJFHSA-N 1 3 394.563 3.331 20 0 GGADHO Cc1nccn1-c1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cn1 ZINC000126355656 1415425741 /nfs/dbraw/zinc/42/57/41/1415425741.db2.gz PUMRLPZOKADHKP-QGZVFWFLSA-N 1 3 379.508 3.367 20 0 GGADHO c1ccc(N2CCN(Cc3ccccc3C[NH2+]CC3=CCCOC3)CC2)cc1 ZINC000126457335 1415458316 /nfs/dbraw/zinc/45/83/16/1415458316.db2.gz JWYMTOMYJSFTTO-UHFFFAOYSA-N 1 3 377.532 3.445 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000126691989 1415528147 /nfs/dbraw/zinc/52/81/47/1415528147.db2.gz GWPMCXITKHQIDI-IBGZPJMESA-N 1 3 395.547 3.446 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000126713371 1415534977 /nfs/dbraw/zinc/53/49/77/1415534977.db2.gz SFSYULYRQDDOOU-MYUZEXMDSA-N 1 3 385.577 3.022 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000126713186 1415535177 /nfs/dbraw/zinc/53/51/77/1415535177.db2.gz SFSYULYRQDDOOU-DNOBIOAJSA-N 1 3 385.577 3.022 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000126712947 1415535311 /nfs/dbraw/zinc/53/53/11/1415535311.db2.gz SFSYULYRQDDOOU-XRHLQHRESA-N 1 3 385.577 3.022 20 0 GGADHO COCc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)ccc1OC ZINC000126719881 1415538419 /nfs/dbraw/zinc/53/84/19/1415538419.db2.gz XMWHTYGJCSUCAX-LJQANCHMSA-N 1 3 397.563 3.440 20 0 GGADHO Cc1c([C@@H](C)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(F)cc1 ZINC000178038159 1428950595 /nfs/dbraw/zinc/95/05/95/1428950595.db2.gz POKQFIFQBWGTFB-IXDOHACOSA-N 1 3 389.519 3.255 20 0 GGADHO Cc1c([C@@H](C)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccc(F)cc1 ZINC000178038159 1428950602 /nfs/dbraw/zinc/95/06/02/1428950602.db2.gz POKQFIFQBWGTFB-IXDOHACOSA-N 1 3 389.519 3.255 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[C@H](C)O1 ZINC000178040311 1428951611 /nfs/dbraw/zinc/95/16/11/1428951611.db2.gz CBJCPHSEMQKKBR-VCALTZMKSA-N 1 3 385.552 3.298 20 0 GGADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000178036363 1428948981 /nfs/dbraw/zinc/94/89/81/1428948981.db2.gz ZHCFGTWBLAMLJG-XUVXKRRUSA-N 1 3 375.557 3.500 20 0 GGADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000127234037 1415697426 /nfs/dbraw/zinc/69/74/26/1415697426.db2.gz ZZLMUZCNPUWBEJ-SFHVURJKSA-N 1 3 388.575 3.493 20 0 GGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000127486074 1415798842 /nfs/dbraw/zinc/79/88/42/1415798842.db2.gz JLAZJMXRAIGBCX-HNNXBMFYSA-N 1 3 378.948 3.259 20 0 GGADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000127484629 1415798914 /nfs/dbraw/zinc/79/89/14/1415798914.db2.gz VZHSQWBKMPSFOF-NRFANRHFSA-N 1 3 388.556 3.004 20 0 GGADHO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000127572943 1415811897 /nfs/dbraw/zinc/81/18/97/1415811897.db2.gz PRFOFBZDVNZBJZ-REWPJTCUSA-N 1 3 383.580 3.274 20 0 GGADHO C[C@H]1C[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CN1C1CC1 ZINC000127968815 1415885114 /nfs/dbraw/zinc/88/51/14/1415885114.db2.gz CDZYEZWESHVYKM-RXVVDRJESA-N 1 3 384.568 3.165 20 0 GGADHO C[C@H]1C[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CN1C1CC1 ZINC000127968815 1415885115 /nfs/dbraw/zinc/88/51/15/1415885115.db2.gz CDZYEZWESHVYKM-RXVVDRJESA-N 1 3 384.568 3.165 20 0 GGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C/C=C/c2ccc(F)cc2)cc1 ZINC000128188002 1415934852 /nfs/dbraw/zinc/93/48/52/1415934852.db2.gz VRZCWDMTDDPJQP-ONEGZZNKSA-N 1 3 381.495 3.454 20 0 GGADHO C[C@H](NCc1cccc(CS(C)(=O)=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178285523 1429041969 /nfs/dbraw/zinc/04/19/69/1429041969.db2.gz IKYLNZLTSZTNCY-KRWDZBQOSA-N 1 3 390.549 3.022 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000128663685 1416036400 /nfs/dbraw/zinc/03/64/00/1416036400.db2.gz SMHPKZGNHDWJHU-QFBILLFUSA-N 1 3 377.529 3.131 20 0 GGADHO C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000178298378 1429045675 /nfs/dbraw/zinc/04/56/75/1429045675.db2.gz PWPPKBIWKUSDQI-QGZVFWFLSA-N 1 3 390.549 3.022 20 0 GGADHO Cc1nccn1CCCCN1CC[N@H+](CCCCn2ccnc2C)CC1(C)C ZINC000129073197 1416138380 /nfs/dbraw/zinc/13/83/80/1416138380.db2.gz HWANOMNMWSIYRP-UHFFFAOYSA-N 1 3 386.588 3.353 20 0 GGADHO Cc1nccn1CCCCN1CC[N@@H+](CCCCn2ccnc2C)CC1(C)C ZINC000129073197 1416138388 /nfs/dbraw/zinc/13/83/88/1416138388.db2.gz HWANOMNMWSIYRP-UHFFFAOYSA-N 1 3 386.588 3.353 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)c2cccs2)CC1 ZINC000129318386 1416190286 /nfs/dbraw/zinc/19/02/86/1416190286.db2.gz YRURMVKNXMEKCX-MSOLQXFVSA-N 1 3 378.586 3.114 20 0 GGADHO O=C(CN1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1)Nc1ccccc1 ZINC000130018251 1416303285 /nfs/dbraw/zinc/30/32/85/1416303285.db2.gz GEWXDQYWGZBHCG-UHFFFAOYSA-N 1 3 398.595 3.476 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000130550550 1416397431 /nfs/dbraw/zinc/39/74/31/1416397431.db2.gz SWGMVRKXBDHXSP-UHFFFAOYSA-N 1 3 387.421 3.133 20 0 GGADHO Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)c(OCC[NH+](C)C)c1 ZINC000130561270 1416399060 /nfs/dbraw/zinc/39/90/60/1416399060.db2.gz NQHJUMNRBGNVAZ-UHFFFAOYSA-N 1 3 388.556 3.418 20 0 GGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000130678142 1416423376 /nfs/dbraw/zinc/42/33/76/1416423376.db2.gz CFEZBYZGHLINIS-SFHVURJKSA-N 1 3 380.602 3.189 20 0 GGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000130678142 1416423382 /nfs/dbraw/zinc/42/33/82/1416423382.db2.gz CFEZBYZGHLINIS-SFHVURJKSA-N 1 3 380.602 3.189 20 0 GGADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)C[NH+]1CCCC1 ZINC000130693174 1416426227 /nfs/dbraw/zinc/42/62/27/1416426227.db2.gz QAKIIWLGTFKZKE-SFHVURJKSA-N 1 3 390.597 3.131 20 0 GGADHO COc1ccc(C[NH+]2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)cc1 ZINC000130907601 1416479475 /nfs/dbraw/zinc/47/94/75/1416479475.db2.gz SUEZSWOHLJGAGY-UHFFFAOYSA-N 1 3 395.547 3.155 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)o1 ZINC000130917967 1416481000 /nfs/dbraw/zinc/48/10/00/1416481000.db2.gz QGIIDHPVGUPEFU-IBGZPJMESA-N 1 3 378.561 3.029 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)o1 ZINC000130917967 1416481006 /nfs/dbraw/zinc/48/10/06/1416481006.db2.gz QGIIDHPVGUPEFU-IBGZPJMESA-N 1 3 378.561 3.029 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000131086114 1416506537 /nfs/dbraw/zinc/50/65/37/1416506537.db2.gz BOSIYDGWXGTMNR-VXKWHMMOSA-N 1 3 384.568 3.402 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)N2CCCC2)cc1 ZINC000131113359 1416510996 /nfs/dbraw/zinc/51/09/96/1416510996.db2.gz FSZJHUNUNLEUGY-JOCHJYFZSA-N 1 3 393.535 3.059 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000131418671 1416554886 /nfs/dbraw/zinc/55/48/86/1416554886.db2.gz QJFSRVPSTDQXHJ-GOSISDBHSA-N 1 3 387.572 3.171 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(Cc4ccccc4)CCC3)CC2)CC1 ZINC000131661002 1416592199 /nfs/dbraw/zinc/59/21/99/1416592199.db2.gz WUJNSJKODIEBSN-UHFFFAOYSA-N 1 3 398.595 3.257 20 0 GGADHO COc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1NC(C)=O ZINC000131864123 1416637718 /nfs/dbraw/zinc/63/77/18/1416637718.db2.gz JWRYGRYFWOSJEK-INIZCTEOSA-N 1 3 385.508 3.445 20 0 GGADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000132166924 1416710680 /nfs/dbraw/zinc/71/06/80/1416710680.db2.gz GYLMHLJJUUMEHH-QGZVFWFLSA-N 1 3 381.586 3.100 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000132928168 1416832237 /nfs/dbraw/zinc/83/22/37/1416832237.db2.gz WWADCTKYJLGFRD-PXNSSMCTSA-N 1 3 389.588 3.273 20 0 GGADHO COc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1Cn1cccn1 ZINC000133073810 1416849114 /nfs/dbraw/zinc/84/91/14/1416849114.db2.gz AMDLSXHYMGHPJZ-OALUTQOASA-N 1 3 398.551 3.092 20 0 GGADHO CN(C)S(=O)(=O)c1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000133349305 1416881150 /nfs/dbraw/zinc/88/11/50/1416881150.db2.gz GZGSQFGYUPNLPY-UHFFFAOYSA-N 1 3 393.597 3.025 20 0 GGADHO C[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)C[NH+]1CCCCC1 ZINC000133831035 1416971928 /nfs/dbraw/zinc/97/19/28/1416971928.db2.gz WPOCNBQBNWTUTD-OALUTQOASA-N 1 3 387.572 3.028 20 0 GGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133863159 1416981729 /nfs/dbraw/zinc/98/17/29/1416981729.db2.gz YKKIXZIVCFCVGK-QRVBRYPASA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133863159 1416981757 /nfs/dbraw/zinc/98/17/57/1416981757.db2.gz YKKIXZIVCFCVGK-QRVBRYPASA-N 1 3 387.572 3.027 20 0 GGADHO CS[C@H]1CCCCN([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000134545336 1417084862 /nfs/dbraw/zinc/08/48/62/1417084862.db2.gz KEDPHPVZERCBKK-RXVVDRJESA-N 1 3 389.609 3.373 20 0 GGADHO CN(Cc1ccc(Cl)c(F)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000135337470 1417209481 /nfs/dbraw/zinc/20/94/81/1417209481.db2.gz RVFQWOWCPTUYFB-UHFFFAOYSA-N 1 3 396.938 3.179 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H](c4ccccc4)C(C)(C)C3)CC2)CC1 ZINC000136183873 1417299034 /nfs/dbraw/zinc/29/90/34/1417299034.db2.gz KLDWWFOADYFXSN-JOCHJYFZSA-N 1 3 398.595 3.380 20 0 GGADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000136587031 1417330039 /nfs/dbraw/zinc/33/00/39/1417330039.db2.gz SQHBBTAVMDWGIQ-RBUKOAKNSA-N 1 3 386.458 3.485 20 0 GGADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000136611580 1417332688 /nfs/dbraw/zinc/33/26/88/1417332688.db2.gz KITGLNXGFDOFDX-YTFSRNRJSA-N 1 3 388.552 3.102 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)N2CCCC2)cc1 ZINC000138026328 1417402270 /nfs/dbraw/zinc/40/22/70/1417402270.db2.gz OHLAZNJFMPDCJW-VSKRKVRLSA-N 1 3 384.568 3.258 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)N2CCCC2)cc1 ZINC000138026328 1417402281 /nfs/dbraw/zinc/40/22/81/1417402281.db2.gz OHLAZNJFMPDCJW-VSKRKVRLSA-N 1 3 384.568 3.258 20 0 GGADHO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000139919313 1417480920 /nfs/dbraw/zinc/48/09/20/1417480920.db2.gz BZCWJKASKLOYQP-QGZVFWFLSA-N 1 3 378.586 3.130 20 0 GGADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000140094045 1417488225 /nfs/dbraw/zinc/48/82/25/1417488225.db2.gz OIXCELUMRZSCRK-JOCHJYFZSA-N 1 3 380.536 3.212 20 0 GGADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000140094045 1417488233 /nfs/dbraw/zinc/48/82/33/1417488233.db2.gz OIXCELUMRZSCRK-JOCHJYFZSA-N 1 3 380.536 3.212 20 0 GGADHO C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000145590715 1417692939 /nfs/dbraw/zinc/69/29/39/1417692939.db2.gz HZMZKXMQDSEOKU-MOPGFXCFSA-N 1 3 388.625 3.236 20 0 GGADHO C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000145590715 1417692958 /nfs/dbraw/zinc/69/29/58/1417692958.db2.gz HZMZKXMQDSEOKU-MOPGFXCFSA-N 1 3 388.625 3.236 20 0 GGADHO CN(c1ccccc1CNC[C@H](O)c1c(F)cccc1F)C1CC[NH+](C)CC1 ZINC000150976467 1417847037 /nfs/dbraw/zinc/84/70/37/1417847037.db2.gz AXUNFFWGGJLQKS-NRFANRHFSA-N 1 3 389.490 3.318 20 0 GGADHO O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178958513 1429228824 /nfs/dbraw/zinc/22/88/24/1429228824.db2.gz JSYZWCSNUKQZEK-UHFFFAOYSA-N 1 3 393.531 3.023 20 0 GGADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000151651732 1418050771 /nfs/dbraw/zinc/05/07/71/1418050771.db2.gz QEPFVXOZIRZXOO-UXHICEINSA-N 1 3 379.589 3.037 20 0 GGADHO FC(F)(F)c1ccnc(NCCNC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000151756854 1418079324 /nfs/dbraw/zinc/07/93/24/1418079324.db2.gz MSDJBSNPTMBIDN-UHFFFAOYSA-N 1 3 393.457 3.204 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000152071874 1418137557 /nfs/dbraw/zinc/13/75/57/1418137557.db2.gz GQYBVWUZETWVKM-RBUKOAKNSA-N 1 3 387.572 3.027 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000152071874 1418137565 /nfs/dbraw/zinc/13/75/65/1418137565.db2.gz GQYBVWUZETWVKM-RBUKOAKNSA-N 1 3 387.572 3.027 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 ZINC000152090533 1418142438 /nfs/dbraw/zinc/14/24/38/1418142438.db2.gz VFPRCLDTJJNWJK-GOSISDBHSA-N 1 3 387.572 3.171 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000152212270 1418174266 /nfs/dbraw/zinc/17/42/66/1418174266.db2.gz GWOZEFLZAHASOG-LJQANCHMSA-N 1 3 387.572 3.028 20 0 GGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCc1ccc(F)cc1 ZINC000179389242 1429354690 /nfs/dbraw/zinc/35/46/90/1429354690.db2.gz WQUCRIAJOTVJJT-UHFFFAOYSA-N 1 3 384.499 3.075 20 0 GGADHO Cc1ccccc1CCNC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391035 1429356371 /nfs/dbraw/zinc/35/63/71/1429356371.db2.gz LOQRPOPQIDKLBL-UHFFFAOYSA-N 1 3 394.563 3.287 20 0 GGADHO Cc1ccsc1CNC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179396228 1429358098 /nfs/dbraw/zinc/35/80/98/1429358098.db2.gz GQSHPBPOBCTKFP-UHFFFAOYSA-N 1 3 386.565 3.306 20 0 GGADHO C[C@@H](N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000179496258 1429395134 /nfs/dbraw/zinc/39/51/34/1429395134.db2.gz PARFZXJGJLWBPO-AUSIDOKSSA-N 1 3 395.547 3.469 20 0 GGADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000179511747 1429403313 /nfs/dbraw/zinc/40/33/13/1429403313.db2.gz YIZWMZHYCODEQG-INIZCTEOSA-N 1 3 397.523 3.157 20 0 GGADHO CC(C)[C@@H](C(=O)Nc1cc(NC(=O)[C@H](C(C)C)[NH+](C)C)c(F)cc1F)N(C)C ZINC000152478695 1422114271 /nfs/dbraw/zinc/11/42/71/1422114271.db2.gz YJPGKJZXKPOGDJ-ROUUACIJSA-N 1 3 398.498 3.014 20 0 GGADHO O=C(NC1CC1)[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000179755500 1429541334 /nfs/dbraw/zinc/54/13/34/1429541334.db2.gz RFAHABIQZKZYCX-NRFANRHFSA-N 1 3 382.483 3.047 20 0 GGADHO C[C@H](N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccccc1 ZINC000152894242 1422286364 /nfs/dbraw/zinc/28/63/64/1422286364.db2.gz SMKOEFHUCWPMFS-ROUUACIJSA-N 1 3 389.565 3.328 20 0 GGADHO C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccccc1 ZINC000152894338 1422286381 /nfs/dbraw/zinc/28/63/81/1422286381.db2.gz SMKOEFHUCWPMFS-MSOLQXFVSA-N 1 3 389.565 3.328 20 0 GGADHO C[C@@H](N[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1)c1ccccc1 ZINC000152894559 1422286596 /nfs/dbraw/zinc/28/65/96/1422286596.db2.gz SMKOEFHUCWPMFS-QZTJIDSGSA-N 1 3 389.565 3.328 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CN1Cc1ccccc1 ZINC000153094293 1422354600 /nfs/dbraw/zinc/35/46/00/1422354600.db2.gz ZWJXNHBDEYVJOF-WIYYLYMNSA-N 1 3 384.568 3.356 20 0 GGADHO C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000154395890 1422883535 /nfs/dbraw/zinc/88/35/35/1422883535.db2.gz IOCSBEJUKHSHBI-FQEVSTJZSA-N 1 3 384.524 3.017 20 0 GGADHO Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)c(OCC[NH+](C)C)c1 ZINC000154661750 1422991870 /nfs/dbraw/zinc/99/18/70/1422991870.db2.gz FPIFRIZSCWEBNL-HXUWFJFHSA-N 1 3 384.524 3.360 20 0 GGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000154946743 1423088423 /nfs/dbraw/zinc/08/84/23/1423088423.db2.gz MYMOXAAJNNAECR-FGZHOGPDSA-N 1 3 384.568 3.483 20 0 GGADHO CC(C)CC1(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000155181466 1423217344 /nfs/dbraw/zinc/21/73/44/1423217344.db2.gz XJMDNMMQFMHVTJ-UHFFFAOYSA-N 1 3 378.605 3.451 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000155569019 1423423573 /nfs/dbraw/zinc/42/35/73/1423423573.db2.gz DBNWHGCDERBGOV-VQTJNVASSA-N 1 3 383.584 3.474 20 0 GGADHO Clc1cccc(N2CCN(CCC[NH2+]C3CCN(CC4CC4)CC3)CC2)c1 ZINC000155694774 1423490680 /nfs/dbraw/zinc/49/06/80/1423490680.db2.gz VBKSFXNQKFERHO-UHFFFAOYSA-N 1 3 391.003 3.316 20 0 GGADHO C[C@H]([NH2+]C(C)(C)CNC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000155770661 1423526840 /nfs/dbraw/zinc/52/68/40/1423526840.db2.gz CQAAFFKVPDFJIO-IBGZPJMESA-N 1 3 387.568 3.267 20 0 GGADHO CC[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000156311736 1423771863 /nfs/dbraw/zinc/77/18/63/1423771863.db2.gz NZJIEYDJJOQPFB-XZOQPEGZSA-N 1 3 398.595 3.483 20 0 GGADHO CC[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000156311603 1423771929 /nfs/dbraw/zinc/77/19/29/1423771929.db2.gz NZJIEYDJJOQPFB-PKTZIBPZSA-N 1 3 398.595 3.483 20 0 GGADHO Cc1cccc2c1CC[C@H]2NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156895194 1423882176 /nfs/dbraw/zinc/88/21/76/1423882176.db2.gz YVSLQGFYNXWOKC-NZQKXSOJSA-N 1 3 377.532 3.469 20 0 GGADHO Cc1cccc2c1CC[C@H]2NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156895194 1423882178 /nfs/dbraw/zinc/88/21/78/1423882178.db2.gz YVSLQGFYNXWOKC-NZQKXSOJSA-N 1 3 377.532 3.469 20 0 GGADHO C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 ZINC000157067955 1423916419 /nfs/dbraw/zinc/91/64/19/1423916419.db2.gz ZYKKUEUYROBXJD-BPQIPLTHSA-N 1 3 383.458 3.135 20 0 GGADHO C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 ZINC000157067955 1423916420 /nfs/dbraw/zinc/91/64/20/1423916420.db2.gz ZYKKUEUYROBXJD-BPQIPLTHSA-N 1 3 383.458 3.135 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccsc1 ZINC000157322395 1423984634 /nfs/dbraw/zinc/98/46/34/1423984634.db2.gz FDRDUTBQHKWVCS-HKUYNNGSSA-N 1 3 380.602 3.408 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000157322395 1423984639 /nfs/dbraw/zinc/98/46/39/1423984639.db2.gz FDRDUTBQHKWVCS-HKUYNNGSSA-N 1 3 380.602 3.408 20 0 GGADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@@H](C)N3CCCCC3)CC2)cc1 ZINC000157355680 1423993377 /nfs/dbraw/zinc/99/33/77/1423993377.db2.gz PGVYHVKPTQZJSA-LJQANCHMSA-N 1 3 393.597 3.002 20 0 GGADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@H](C)N3CCCCC3)CC2)cc1 ZINC000157355851 1423993478 /nfs/dbraw/zinc/99/34/78/1423993478.db2.gz PGVYHVKPTQZJSA-IBGZPJMESA-N 1 3 393.597 3.002 20 0 GGADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCc2ccccc2Cl)CC1 ZINC000157489691 1424022525 /nfs/dbraw/zinc/02/25/25/1424022525.db2.gz AQSSMKZFTBAVFW-UHFFFAOYSA-N 1 3 379.976 3.299 20 0 GGADHO CN1CCN(c2ncccc2C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000158451649 1424258967 /nfs/dbraw/zinc/25/89/67/1424258967.db2.gz YPWLDZZHFUANNX-LJQANCHMSA-N 1 3 386.927 3.490 20 0 GGADHO CN1CCN(c2ncccc2C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000161077773 1424657172 /nfs/dbraw/zinc/65/71/72/1424657172.db2.gz KFTNPMWWIFZBNP-UHFFFAOYSA-N 1 3 382.405 3.281 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000162512643 1424860569 /nfs/dbraw/zinc/86/05/69/1424860569.db2.gz DRRFJKRMGYTROF-ROUUACIJSA-N 1 3 378.586 3.162 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000162512643 1424860571 /nfs/dbraw/zinc/86/05/71/1424860571.db2.gz DRRFJKRMGYTROF-ROUUACIJSA-N 1 3 378.586 3.162 20 0 GGADHO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000162745482 1424886925 /nfs/dbraw/zinc/88/69/25/1424886925.db2.gz ARBMFENRHAFLAL-KRWDZBQOSA-N 1 3 375.538 3.231 20 0 GGADHO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000162745482 1424886926 /nfs/dbraw/zinc/88/69/26/1424886926.db2.gz ARBMFENRHAFLAL-KRWDZBQOSA-N 1 3 375.538 3.231 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)[C@H](C)C1 ZINC000162786755 1424890563 /nfs/dbraw/zinc/89/05/63/1424890563.db2.gz RNKFLUJMNCQWTP-UTKZUKDTSA-N 1 3 385.556 3.111 20 0 GGADHO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000163264212 1424969730 /nfs/dbraw/zinc/96/97/30/1424969730.db2.gz AELSFCJTZZADHU-BBTUJRGHSA-N 1 3 376.508 3.366 20 0 GGADHO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000163264212 1424969737 /nfs/dbraw/zinc/96/97/37/1424969737.db2.gz AELSFCJTZZADHU-BBTUJRGHSA-N 1 3 376.508 3.366 20 0 GGADHO CC[NH+](CC)Cc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000163579085 1425019931 /nfs/dbraw/zinc/01/99/31/1425019931.db2.gz KGSVZFLIPUCUEQ-QGZVFWFLSA-N 1 3 389.565 3.287 20 0 GGADHO C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000163950079 1425061779 /nfs/dbraw/zinc/06/17/79/1425061779.db2.gz SUXHVEFWERFHAJ-SFHVURJKSA-N 1 3 376.508 3.499 20 0 GGADHO [NH3+][C@@H](C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000163992707 1425067059 /nfs/dbraw/zinc/06/70/59/1425067059.db2.gz GPHONIYWXBOPQP-LJQANCHMSA-N 1 3 391.437 3.440 20 0 GGADHO CC(C)N1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CC1 ZINC000164025447 1425069695 /nfs/dbraw/zinc/06/96/95/1425069695.db2.gz NVZYTYAPXOCPBN-GOSISDBHSA-N 1 3 393.597 3.070 20 0 GGADHO C[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343590 1425176448 /nfs/dbraw/zinc/17/64/48/1425176448.db2.gz KBTAAFFWYYVVDF-CTNGQTDRSA-N 1 3 375.520 3.483 20 0 GGADHO C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343590 1425176454 /nfs/dbraw/zinc/17/64/54/1425176454.db2.gz KBTAAFFWYYVVDF-CTNGQTDRSA-N 1 3 375.520 3.483 20 0 GGADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000165343590 1425176462 /nfs/dbraw/zinc/17/64/62/1425176462.db2.gz KBTAAFFWYYVVDF-CTNGQTDRSA-N 1 3 375.520 3.483 20 0 GGADHO c1ccc(CCN2CC[C@@H](C[NH2+]C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000165345966 1425176709 /nfs/dbraw/zinc/17/67/09/1425176709.db2.gz VAFLBNPSYZAJIF-QHCPKHFHSA-N 1 3 378.564 3.200 20 0 GGADHO O=C(NCCNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1Cl ZINC000165504358 1425182448 /nfs/dbraw/zinc/18/24/48/1425182448.db2.gz ZCRSJRBQKCXFAP-UHFFFAOYSA-N 1 3 385.939 3.367 20 0 GGADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000165955447 1425203337 /nfs/dbraw/zinc/20/33/37/1425203337.db2.gz WEXYWENCSQWYAX-AEFFLSMTSA-N 1 3 383.964 3.184 20 0 GGADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)c1cccn1C1CC[NH2+]CC1 ZINC000166704615 1425216793 /nfs/dbraw/zinc/21/67/93/1425216793.db2.gz KASSBWCCQDJBCS-UHFFFAOYSA-N 1 3 398.576 3.256 20 0 GGADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167361310 1425224924 /nfs/dbraw/zinc/22/49/24/1425224924.db2.gz SOULHRBMGXRUBT-LZJOCLMNSA-N 1 3 381.524 3.222 20 0 GGADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000169001481 1425241252 /nfs/dbraw/zinc/24/12/52/1425241252.db2.gz XGLOPOLHNYNNIL-JOCHJYFZSA-N 1 3 377.532 3.089 20 0 GGADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000168941257 1425241290 /nfs/dbraw/zinc/24/12/90/1425241290.db2.gz PLAMSBUVNTXPQA-LJQANCHMSA-N 1 3 398.016 3.247 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N(CC3CC3)C3CCCCC3)CC2)CC1 ZINC000170814269 1425352009 /nfs/dbraw/zinc/35/20/09/1425352009.db2.gz LWTTZTHSASOOFF-UHFFFAOYSA-N 1 3 376.589 3.299 20 0 GGADHO CC(C)(CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000171633268 1425766663 /nfs/dbraw/zinc/76/66/63/1425766663.db2.gz VEBTWXMQKYBQBS-NRFANRHFSA-N 1 3 384.568 3.093 20 0 GGADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccccc2Oc2ccccc2)CC1 ZINC000171658472 1425778438 /nfs/dbraw/zinc/77/84/38/1425778438.db2.gz FCOYPNMPFZKYMR-UHFFFAOYSA-N 1 3 381.520 3.369 20 0 GGADHO COc1ccc(C[NH+]2CCC(CN[C@@H](C(=O)N(C)C)c3ccccc3)CC2)cc1 ZINC000172085395 1425893352 /nfs/dbraw/zinc/89/33/52/1425893352.db2.gz SEKWCCKSSCXIBX-HSZRJFAPSA-N 1 3 395.547 3.326 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC000172496740 1426059753 /nfs/dbraw/zinc/05/97/53/1426059753.db2.gz IDBAYOKKZOPOOO-QFIPXVFZSA-N 1 3 398.595 3.308 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c(C)c2)CC1 ZINC000172683162 1426141230 /nfs/dbraw/zinc/14/12/30/1426141230.db2.gz GLZSZQASODWDSK-FQEVSTJZSA-N 1 3 399.583 3.087 20 0 GGADHO CCCOc1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000172929618 1426268114 /nfs/dbraw/zinc/26/81/14/1426268114.db2.gz FVSZOUPOXCSBME-UHFFFAOYSA-N 1 3 387.568 3.083 20 0 GGADHO CN(C)[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000173323565 1426506613 /nfs/dbraw/zinc/50/66/13/1426506613.db2.gz GZKORVOZBUCXRA-GMAHTHKFSA-N 1 3 394.563 3.453 20 0 GGADHO CN(C)[C@@H](CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000173323565 1426506624 /nfs/dbraw/zinc/50/66/24/1426506624.db2.gz GZKORVOZBUCXRA-GMAHTHKFSA-N 1 3 394.563 3.453 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ccc4c(c3)CCC4)c2)C1 ZINC000173838045 1426865578 /nfs/dbraw/zinc/86/55/78/1426865578.db2.gz PNLGZLKJTAYTOW-QHCPKHFHSA-N 1 3 377.532 3.162 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3ccc4c(c3)CCC4)c2)C1 ZINC000173838045 1426865579 /nfs/dbraw/zinc/86/55/79/1426865579.db2.gz PNLGZLKJTAYTOW-QHCPKHFHSA-N 1 3 377.532 3.162 20 0 GGADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(OC(F)F)cc1 ZINC000174046962 1426970147 /nfs/dbraw/zinc/97/01/47/1426970147.db2.gz WOVITIOPDDMIFS-HNNXBMFYSA-N 1 3 391.462 3.430 20 0 GGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174118308 1427009858 /nfs/dbraw/zinc/00/98/58/1427009858.db2.gz FBIITPZYICRUPZ-ROUUACIJSA-N 1 3 376.570 3.012 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000174216786 1427055334 /nfs/dbraw/zinc/05/53/34/1427055334.db2.gz FUBBZPPSZJIICQ-UNMCSNQZSA-N 1 3 384.568 3.259 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)N2CCCC2)cc1 ZINC000174216771 1427055363 /nfs/dbraw/zinc/05/53/63/1427055363.db2.gz FUBBZPPSZJIICQ-RBBKRZOGSA-N 1 3 384.568 3.259 20 0 GGADHO Cc1ccc2c(CN3CCC(OCC[NH+]4CCCC4)CC3)cc(=O)oc2c1C ZINC000174241922 1427065684 /nfs/dbraw/zinc/06/56/84/1427065684.db2.gz DTLLRCAAXLECQC-UHFFFAOYSA-N 1 3 384.520 3.487 20 0 GGADHO CN(CCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174398400 1427138436 /nfs/dbraw/zinc/13/84/36/1427138436.db2.gz OLAGETUGFMUXTD-FQEVSTJZSA-N 1 3 391.515 3.127 20 0 GGADHO CN(CCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174398400 1427138440 /nfs/dbraw/zinc/13/84/40/1427138440.db2.gz OLAGETUGFMUXTD-FQEVSTJZSA-N 1 3 391.515 3.127 20 0 GGADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)Cc1cccc(F)c1 ZINC000174404099 1427142403 /nfs/dbraw/zinc/14/24/03/1427142403.db2.gz AMJQFTZTGHUOIC-QGZVFWFLSA-N 1 3 375.532 3.069 20 0 GGADHO CN1CCC[N@H+](CCCNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000174421134 1427150149 /nfs/dbraw/zinc/15/01/49/1427150149.db2.gz SWBNWJLNIGPMPX-FQEVSTJZSA-N 1 3 395.975 3.015 20 0 GGADHO CN1CCC[N@@H+](CCCNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000174421134 1427150162 /nfs/dbraw/zinc/15/01/62/1427150162.db2.gz SWBNWJLNIGPMPX-FQEVSTJZSA-N 1 3 395.975 3.015 20 0 GGADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174568874 1427229289 /nfs/dbraw/zinc/22/92/89/1427229289.db2.gz XPXNHSZBASBEJE-RTWAWAEBSA-N 1 3 387.543 3.372 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]([NH+](CC)CC)C3)c(C)c2)CC1 ZINC000174607474 1427258505 /nfs/dbraw/zinc/25/85/05/1427258505.db2.gz SSBCSIHUHVBELR-FQEVSTJZSA-N 1 3 387.572 3.085 20 0 GGADHO C[C@@H](C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N1CCCCCC1 ZINC000175249183 1427624737 /nfs/dbraw/zinc/62/47/37/1427624737.db2.gz YDOSKFBNTQKYSY-AZUAARDMSA-N 1 3 385.552 3.355 20 0 GGADHO C[C@H](C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N1CCCCCC1 ZINC000175249240 1427625568 /nfs/dbraw/zinc/62/55/68/1427625568.db2.gz YDOSKFBNTQKYSY-QUCCMNQESA-N 1 3 385.552 3.355 20 0 GGADHO C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175409825 1427738902 /nfs/dbraw/zinc/73/89/02/1427738902.db2.gz HKKNECGSWKWVFX-PGRDOPGGSA-N 1 3 384.568 3.133 20 0 GGADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)N2CCCC2)c1 ZINC000175579903 1427821196 /nfs/dbraw/zinc/82/11/96/1427821196.db2.gz IUOKVZAVGDOCIW-DYXWJJEUSA-N 1 3 388.556 3.004 20 0 GGADHO COc1cccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)N2CCCC2)c1 ZINC000175579839 1427821251 /nfs/dbraw/zinc/82/12/51/1427821251.db2.gz IUOKVZAVGDOCIW-ZVDOUQERSA-N 1 3 388.556 3.004 20 0 GGADHO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000175780681 1427889884 /nfs/dbraw/zinc/88/98/84/1427889884.db2.gz URUIKUAHVWQXEC-UXHICEINSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000175780681 1427889886 /nfs/dbraw/zinc/88/98/86/1427889886.db2.gz URUIKUAHVWQXEC-UXHICEINSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000175780702 1427889932 /nfs/dbraw/zinc/88/99/32/1427889932.db2.gz URUIKUAHVWQXEC-PMACEKPBSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000175780702 1427889934 /nfs/dbraw/zinc/88/99/34/1427889934.db2.gz URUIKUAHVWQXEC-PMACEKPBSA-N 1 3 386.584 3.413 20 0 GGADHO COc1ccc([C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N2CCCC2)cc1 ZINC000175910499 1427966122 /nfs/dbraw/zinc/96/61/22/1427966122.db2.gz WTLCIMZRWBZVNT-PXNSSMCTSA-N 1 3 390.572 3.108 20 0 GGADHO CN1CCC(N(Cc2ccccc2)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000175909799 1427966288 /nfs/dbraw/zinc/96/62/88/1427966288.db2.gz VDXWQAANTGVJBG-UHFFFAOYSA-N 1 3 384.568 3.167 20 0 GGADHO COc1ccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N2CCCC2)cc1 ZINC000175910518 1427966319 /nfs/dbraw/zinc/96/63/19/1427966319.db2.gz WTLCIMZRWBZVNT-XLIONFOSSA-N 1 3 390.572 3.108 20 0 GGADHO C[C@H](CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1)C[NH+]1CCCCC1 ZINC000175933894 1427981714 /nfs/dbraw/zinc/98/17/14/1427981714.db2.gz IPKDUSYBROSECR-HXUWFJFHSA-N 1 3 386.584 3.414 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(C)c2)CC1 ZINC000176004801 1428022439 /nfs/dbraw/zinc/02/24/39/1428022439.db2.gz DFBKKUVIZGYSIW-GOSISDBHSA-N 1 3 389.588 3.235 20 0 GGADHO CC[C@H](Oc1ccccc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000176218116 1428174067 /nfs/dbraw/zinc/17/40/67/1428174067.db2.gz UEZIJWDOSZDQSM-IBGZPJMESA-N 1 3 393.959 3.172 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000180312641 1429833601 /nfs/dbraw/zinc/83/36/01/1429833601.db2.gz DBMGERDWVRDHNH-FCGDIQPGSA-N 1 3 383.577 3.159 20 0 GGADHO COC(=O)COc1c(C)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000180786314 1430039390 /nfs/dbraw/zinc/03/93/90/1430039390.db2.gz POBNJTJAMALTOX-TZIWHRDSSA-N 1 3 386.536 3.304 20 0 GGADHO COC(=O)COc1c(C)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000180786314 1430039401 /nfs/dbraw/zinc/03/94/01/1430039401.db2.gz POBNJTJAMALTOX-TZIWHRDSSA-N 1 3 386.536 3.304 20 0 GGADHO C[C@@H](CN1CCOCC1)[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000180889405 1430092080 /nfs/dbraw/zinc/09/20/80/1430092080.db2.gz NYEPWFWULQKIGH-KRWDZBQOSA-N 1 3 399.501 3.322 20 0 GGADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1N(C)C ZINC000180974844 1430146116 /nfs/dbraw/zinc/14/61/16/1430146116.db2.gz IZRZBHZLALFACR-LJQANCHMSA-N 1 3 394.563 3.429 20 0 GGADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000180996933 1430158806 /nfs/dbraw/zinc/15/88/06/1430158806.db2.gz MTFRJCHZQCZIME-HNNXBMFYSA-N 1 3 391.462 3.430 20 0 GGADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(OC(F)F)c1 ZINC000180998262 1430159353 /nfs/dbraw/zinc/15/93/53/1430159353.db2.gz PFDMTTYWDKUZSE-OAHLLOKOSA-N 1 3 391.462 3.430 20 0 GGADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1N(C)C ZINC000180998195 1430159392 /nfs/dbraw/zinc/15/93/92/1430159392.db2.gz SXEIGSAZNHQBGE-MRXNPFEDSA-N 1 3 386.515 3.034 20 0 GGADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000181411040 1430291298 /nfs/dbraw/zinc/29/12/98/1430291298.db2.gz ANWHWFBBCHEZRV-HSQYWUDLSA-N 1 3 385.552 3.232 20 0 GGADHO COc1cc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc(OC)c1OC ZINC000181418061 1430293224 /nfs/dbraw/zinc/29/32/24/1430293224.db2.gz SGDUUIYRVZSBCZ-MNEFBYGVSA-N 1 3 392.540 3.131 20 0 GGADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000181531776 1430316298 /nfs/dbraw/zinc/31/62/98/1430316298.db2.gz GIQIUUCGNQRQRJ-ZLNRFVROSA-N 1 3 385.596 3.378 20 0 GGADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000182215813 1430431214 /nfs/dbraw/zinc/43/12/14/1430431214.db2.gz OGFJMDJXDLQUSU-KURKYZTESA-N 1 3 376.570 3.011 20 0 GGADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000182215813 1430431217 /nfs/dbraw/zinc/43/12/17/1430431217.db2.gz OGFJMDJXDLQUSU-KURKYZTESA-N 1 3 376.570 3.011 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([S@](C)=O)cc1 ZINC000182235392 1430434599 /nfs/dbraw/zinc/43/45/99/1430434599.db2.gz BRWLWVHTOQOPDS-QHOOGPDPSA-N 1 3 386.561 3.232 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc([S@](C)=O)cc1 ZINC000182235392 1430434602 /nfs/dbraw/zinc/43/46/02/1430434602.db2.gz BRWLWVHTOQOPDS-QHOOGPDPSA-N 1 3 386.561 3.232 20 0 GGADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000182251943 1430437436 /nfs/dbraw/zinc/43/74/36/1430437436.db2.gz ILJKVACNWLROTC-UZUQRXQVSA-N 1 3 381.520 3.453 20 0 GGADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000182251943 1430437438 /nfs/dbraw/zinc/43/74/38/1430437438.db2.gz ILJKVACNWLROTC-UZUQRXQVSA-N 1 3 381.520 3.453 20 0 GGADHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000182259071 1430438759 /nfs/dbraw/zinc/43/87/59/1430438759.db2.gz RNVLDLPOAWARMS-SFTDATJTSA-N 1 3 382.504 3.265 20 0 GGADHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)OCCO2 ZINC000182259071 1430438761 /nfs/dbraw/zinc/43/87/61/1430438761.db2.gz RNVLDLPOAWARMS-SFTDATJTSA-N 1 3 382.504 3.265 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)cc1CN1CCCCC1 ZINC000182260802 1430438903 /nfs/dbraw/zinc/43/89/03/1430438903.db2.gz LDKUFWLVRSNQMO-QGZVFWFLSA-N 1 3 385.508 3.355 20 0 GGADHO COc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccco2)cc1CN1CCCCC1 ZINC000182260784 1430438993 /nfs/dbraw/zinc/43/89/93/1430438993.db2.gz LDKUFWLVRSNQMO-KRWDZBQOSA-N 1 3 385.508 3.355 20 0 GGADHO COCCc1nc(C)c([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000182269788 1430440361 /nfs/dbraw/zinc/44/03/61/1430440361.db2.gz URGRADMOZXVWTI-BEFAXECRSA-N 1 3 389.565 3.058 20 0 GGADHO COCCc1nc(C)c([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000182269788 1430440364 /nfs/dbraw/zinc/44/03/64/1430440364.db2.gz URGRADMOZXVWTI-BEFAXECRSA-N 1 3 389.565 3.058 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(N2CCCC2=O)c1 ZINC000182272589 1430440913 /nfs/dbraw/zinc/44/09/13/1430440913.db2.gz UFVXPSDFHMNDCV-MBSDFSHPSA-N 1 3 393.531 3.231 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(N2CCCC2=O)c1 ZINC000182272589 1430440917 /nfs/dbraw/zinc/44/09/17/1430440917.db2.gz UFVXPSDFHMNDCV-MBSDFSHPSA-N 1 3 393.531 3.231 20 0 GGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCO2 ZINC000182273116 1430441166 /nfs/dbraw/zinc/44/11/66/1430441166.db2.gz BBXPEYAVORSISE-UGKGYDQZSA-N 1 3 382.504 3.265 20 0 GGADHO COc1ccc2c(c1)[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182273116 1430441168 /nfs/dbraw/zinc/44/11/68/1430441168.db2.gz BBXPEYAVORSISE-UGKGYDQZSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000182448736 1430469492 /nfs/dbraw/zinc/46/94/92/1430469492.db2.gz NZUMESYTYITNCV-UIFIKXQLSA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000182448736 1430469494 /nfs/dbraw/zinc/46/94/94/1430469494.db2.gz NZUMESYTYITNCV-UIFIKXQLSA-N 1 3 378.582 3.364 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)N2CCCC2)cc1 ZINC000182528539 1430483750 /nfs/dbraw/zinc/48/37/50/1430483750.db2.gz BJRPSJNXXCDJBL-FKBYEOEOSA-N 1 3 384.568 3.258 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)N2CCCC2)cc1 ZINC000182528539 1430483753 /nfs/dbraw/zinc/48/37/53/1430483753.db2.gz BJRPSJNXXCDJBL-FKBYEOEOSA-N 1 3 384.568 3.258 20 0 GGADHO C[C@H](CCNC(=O)N(CCN(C)C)Cc1ccccc1F)[NH+]1CCCCC1 ZINC000182677394 1430515535 /nfs/dbraw/zinc/51/55/35/1430515535.db2.gz GBGGEFGSGZYPAT-GOSISDBHSA-N 1 3 378.536 3.163 20 0 GGADHO C[C@H](CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000182693057 1430518891 /nfs/dbraw/zinc/51/88/91/1430518891.db2.gz LEKDRTNFZUDVHM-GOSISDBHSA-N 1 3 378.536 3.163 20 0 GGADHO C[C@@H](CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000182693042 1430519120 /nfs/dbraw/zinc/51/91/20/1430519120.db2.gz LEKDRTNFZUDVHM-SFHVURJKSA-N 1 3 378.536 3.163 20 0 GGADHO C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182856876 1430554791 /nfs/dbraw/zinc/55/47/91/1430554791.db2.gz TVPOXAKYTNPZJL-RBUKOAKNSA-N 1 3 376.589 3.299 20 0 GGADHO C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182856876 1430554795 /nfs/dbraw/zinc/55/47/95/1430554795.db2.gz TVPOXAKYTNPZJL-RBUKOAKNSA-N 1 3 376.589 3.299 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)o1 ZINC000182865999 1430556924 /nfs/dbraw/zinc/55/69/24/1430556924.db2.gz SVFAHKCXOPJFRL-OALUTQOASA-N 1 3 390.572 3.314 20 0 GGADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)o1 ZINC000182865999 1430556931 /nfs/dbraw/zinc/55/69/31/1430556931.db2.gz SVFAHKCXOPJFRL-OALUTQOASA-N 1 3 390.572 3.314 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182914005 1430569911 /nfs/dbraw/zinc/56/99/11/1430569911.db2.gz TUBUGNKQHRJHOS-QZTJIDSGSA-N 1 3 392.613 3.474 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182914005 1430569917 /nfs/dbraw/zinc/56/99/17/1430569917.db2.gz TUBUGNKQHRJHOS-QZTJIDSGSA-N 1 3 392.613 3.474 20 0 GGADHO C[C@@H](c1nc(-c2cccnc2)no1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182967378 1430582370 /nfs/dbraw/zinc/58/23/70/1430582370.db2.gz GYKRXHSDTULTOP-KRWDZBQOSA-N 1 3 385.512 3.017 20 0 GGADHO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000183145179 1430628306 /nfs/dbraw/zinc/62/83/06/1430628306.db2.gz BEJUDJGXKRTVJJ-TZRRMPRUSA-N 1 3 391.559 3.479 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1CN1CCCCC1 ZINC000183315498 1430676680 /nfs/dbraw/zinc/67/66/80/1430676680.db2.gz LXHDBOYWPBYSIU-QGZVFWFLSA-N 1 3 394.581 3.157 20 0 GGADHO CC(C)[C@H]1CCC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000184445378 1430888795 /nfs/dbraw/zinc/88/87/95/1430888795.db2.gz DMMBYYJQPJOPJT-OALUTQOASA-N 1 3 378.605 3.449 20 0 GGADHO CCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184605810 1430917313 /nfs/dbraw/zinc/91/73/13/1430917313.db2.gz OELCMKDFIQPGFA-JOCHJYFZSA-N 1 3 384.568 3.167 20 0 GGADHO C[C@@H](CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[NH+]1CCCCC1 ZINC000184717560 1430951575 /nfs/dbraw/zinc/95/15/75/1430951575.db2.gz GGJRHNFYZYYRNM-ROUUACIJSA-N 1 3 378.586 3.449 20 0 GGADHO Cc1ccc(CNC(=O)C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000184741970 1430961112 /nfs/dbraw/zinc/96/11/12/1430961112.db2.gz LAVIAFKUPLIMEX-PMACEKPBSA-N 1 3 379.548 3.357 20 0 GGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1ccccc1F ZINC000184755170 1430967545 /nfs/dbraw/zinc/96/75/45/1430967545.db2.gz XJDKBVIHFOZHGG-ROUUACIJSA-N 1 3 383.511 3.188 20 0 GGADHO CC[C@H]1Cc2ccccc2CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184773510 1430973399 /nfs/dbraw/zinc/97/33/99/1430973399.db2.gz KAYCKMZWUFXIQZ-NRFANRHFSA-N 1 3 384.568 3.092 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NCCC[NH+]3CCCCCC3)c2)CC1 ZINC000184911601 1431019400 /nfs/dbraw/zinc/01/94/00/1431019400.db2.gz WHMRTYLUAYVERL-UHFFFAOYSA-N 1 3 387.572 3.216 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)c2)CC1 ZINC000184918331 1431020891 /nfs/dbraw/zinc/02/08/91/1431020891.db2.gz WZCXAPGLBXURCU-UHFFFAOYSA-N 1 3 387.572 3.215 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NC3CC[NH+](C(C)(C)C)CC3)c2)CC1 ZINC000184923681 1431022368 /nfs/dbraw/zinc/02/23/68/1431022368.db2.gz WYYDFELMTDWOAQ-UHFFFAOYSA-N 1 3 387.572 3.213 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N(C)CC[C@H]3CCCC[N@@H+]3C)c2)CC1 ZINC000184925001 1431022792 /nfs/dbraw/zinc/02/27/92/1431022792.db2.gz DLPMTPUVZRPSEF-HXUWFJFHSA-N 1 3 387.572 3.167 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N(C)CC[C@H]3CCCC[N@H+]3C)c2)CC1 ZINC000184925001 1431022795 /nfs/dbraw/zinc/02/27/95/1431022795.db2.gz DLPMTPUVZRPSEF-HXUWFJFHSA-N 1 3 387.572 3.167 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)NCc3ccc(C[NH+](C)C)cc3)c2)CC1 ZINC000184928364 1431023585 /nfs/dbraw/zinc/02/35/85/1431023585.db2.gz IQSYMSSSMMSTNR-UHFFFAOYSA-N 1 3 395.551 3.212 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC2)c2cccs2)CC1 ZINC000185063218 1431052288 /nfs/dbraw/zinc/05/22/88/1431052288.db2.gz XYVIVMCENYJNBX-SFHVURJKSA-N 1 3 378.586 3.257 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CC2)c2cccs2)CC1 ZINC000185063218 1431052295 /nfs/dbraw/zinc/05/22/95/1431052295.db2.gz XYVIVMCENYJNBX-SFHVURJKSA-N 1 3 378.586 3.257 20 0 GGADHO CC(C)OCCN1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000185586107 1431176979 /nfs/dbraw/zinc/17/69/79/1431176979.db2.gz MHPPHMHSBNPMOI-UHFFFAOYSA-N 1 3 396.620 3.220 20 0 GGADHO C[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000185690987 1431207142 /nfs/dbraw/zinc/20/71/42/1431207142.db2.gz SLXIXBUFNKTDGH-QZTJIDSGSA-N 1 3 383.536 3.305 20 0 GGADHO CCOc1ccc(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185717566 1431214455 /nfs/dbraw/zinc/21/44/55/1431214455.db2.gz LNUBQHIOKIPYPD-QWFCFKBJSA-N 1 3 376.541 3.068 20 0 GGADHO CCOc1ccc(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185717566 1431214457 /nfs/dbraw/zinc/21/44/57/1431214457.db2.gz LNUBQHIOKIPYPD-QWFCFKBJSA-N 1 3 376.541 3.068 20 0 GGADHO CCOc1ccc(OC[C@@H](O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185717553 1431214522 /nfs/dbraw/zinc/21/45/22/1431214522.db2.gz LNUBQHIOKIPYPD-NSHGMRRFSA-N 1 3 376.541 3.068 20 0 GGADHO CCOc1ccc(OC[C@@H](O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185717553 1431214527 /nfs/dbraw/zinc/21/45/27/1431214527.db2.gz LNUBQHIOKIPYPD-NSHGMRRFSA-N 1 3 376.541 3.068 20 0 GGADHO CCOc1ccc(OC[C@@H](O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185717584 1431214679 /nfs/dbraw/zinc/21/46/79/1431214679.db2.gz LNUBQHIOKIPYPD-GGPKGHCWSA-N 1 3 376.541 3.068 20 0 GGADHO CCOc1ccc(OC[C@@H](O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185717584 1431214689 /nfs/dbraw/zinc/21/46/89/1431214689.db2.gz LNUBQHIOKIPYPD-GGPKGHCWSA-N 1 3 376.541 3.068 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185822489 1431244194 /nfs/dbraw/zinc/24/41/94/1431244194.db2.gz IMVCGLQMLRGSGG-GOSISDBHSA-N 1 3 387.572 3.028 20 0 GGADHO Cc1ccc(NC(=O)c2cccc(CN(C)C)c2)cc1NC(=O)CC[NH+](C)C ZINC000185849648 1431251479 /nfs/dbraw/zinc/25/14/79/1431251479.db2.gz PXOGBJMNTWUSFO-UHFFFAOYSA-N 1 3 382.508 3.199 20 0 GGADHO CC(C)C[C@H]1OCCC[C@H]1NCC1(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)COC1 ZINC000186378438 1431395977 /nfs/dbraw/zinc/39/59/77/1431395977.db2.gz YPEIMVSPXDNZPX-COPRSSIGSA-N 1 3 396.616 3.370 20 0 GGADHO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC1(CN[C@H]2CCCO[C@H]2CC(C)C)COC1 ZINC000186378438 1431395981 /nfs/dbraw/zinc/39/59/81/1431395981.db2.gz YPEIMVSPXDNZPX-COPRSSIGSA-N 1 3 396.616 3.370 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(c4ccsc4)CC3)CC2)CC1 ZINC000186859229 1431543877 /nfs/dbraw/zinc/54/38/77/1431543877.db2.gz PKGZADNQCZXIRG-UHFFFAOYSA-N 1 3 390.597 3.196 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187003764 1431587045 /nfs/dbraw/zinc/58/70/45/1431587045.db2.gz PRQDINZTTJBEIR-CABCVRRESA-N 1 3 384.362 3.140 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187003781 1431587143 /nfs/dbraw/zinc/58/71/43/1431587143.db2.gz PRQDINZTTJBEIR-LSDHHAIUSA-N 1 3 384.362 3.140 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)C(=O)NCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000187014185 1431590459 /nfs/dbraw/zinc/59/04/59/1431590459.db2.gz MMMZMEPGJQABJV-FUHIMQAGSA-N 1 3 395.975 3.071 20 0 GGADHO CN1c2ccc(CNCc3ccc(OCCC[NH+](C)C)cc3)cc2CCC1=O ZINC000187197919 1431644541 /nfs/dbraw/zinc/64/45/41/1431644541.db2.gz QAVJJVCBEZFEQU-UHFFFAOYSA-N 1 3 381.520 3.216 20 0 GGADHO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000188206384 1431860571 /nfs/dbraw/zinc/86/05/71/1431860571.db2.gz KAHMORCAFHYKMN-GOSISDBHSA-N 1 3 383.511 3.372 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)c2)CC1 ZINC000188859780 1431999564 /nfs/dbraw/zinc/99/95/64/1431999564.db2.gz BMRZRPCCWVJNPS-FQEVSTJZSA-N 1 3 399.583 3.168 20 0 GGADHO Cc1ccc(F)cc1CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000189262993 1432073898 /nfs/dbraw/zinc/07/38/98/1432073898.db2.gz JPBUYXKKMOXHKM-UHFFFAOYSA-N 1 3 375.532 3.338 20 0 GGADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000190000277 1432302616 /nfs/dbraw/zinc/30/26/16/1432302616.db2.gz ZVXWMIKCGNVJBV-VQIMIIECSA-N 1 3 381.948 3.395 20 0 GGADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000190000277 1432302619 /nfs/dbraw/zinc/30/26/19/1432302619.db2.gz ZVXWMIKCGNVJBV-VQIMIIECSA-N 1 3 381.948 3.395 20 0 GGADHO CC(C)n1ncc2ccc(NC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc21 ZINC000190158029 1432330301 /nfs/dbraw/zinc/33/03/01/1432330301.db2.gz AROBMZWYVJEOKN-UHFFFAOYSA-N 1 3 398.555 3.297 20 0 GGADHO CCSc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000190193199 1432337810 /nfs/dbraw/zinc/33/78/10/1432337810.db2.gz BWLKQIIDTHXWCJ-UHFFFAOYSA-N 1 3 376.570 3.479 20 0 GGADHO CCOC(=O)C1CCC(O)(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000190892207 1432521320 /nfs/dbraw/zinc/52/13/20/1432521320.db2.gz MJLODTVIBUGZMX-QRMBVLBGSA-N 1 3 380.573 3.057 20 0 GGADHO CCOC(=O)C1CCC(O)(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000190892207 1432521330 /nfs/dbraw/zinc/52/13/30/1432521330.db2.gz MJLODTVIBUGZMX-QRMBVLBGSA-N 1 3 380.573 3.057 20 0 GGADHO COc1ccc([C@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)cc1OC ZINC000191391535 1432649879 /nfs/dbraw/zinc/64/98/79/1432649879.db2.gz IDWRGRURFWUEKW-HXUWFJFHSA-N 1 3 375.557 3.257 20 0 GGADHO COc1ccc([C@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)cc1OC ZINC000191391535 1432649885 /nfs/dbraw/zinc/64/98/85/1432649885.db2.gz IDWRGRURFWUEKW-HXUWFJFHSA-N 1 3 375.557 3.257 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C[NH+]3CCCCC3)c(C)c2)CC1 ZINC000192700644 1432876826 /nfs/dbraw/zinc/87/68/26/1432876826.db2.gz BEAVIDOKBMHWNT-IBGZPJMESA-N 1 3 387.572 3.133 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)NCCC[NH+]3CCCCC3)c(C)c2)CC1 ZINC000192700993 1432877093 /nfs/dbraw/zinc/87/70/93/1432877093.db2.gz XTGKGNDXIRTVEN-UHFFFAOYSA-N 1 3 387.572 3.134 20 0 GGADHO CC(C)N1CCN(CCC[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000192729463 1432881055 /nfs/dbraw/zinc/88/10/55/1432881055.db2.gz VVWRZXSUZZMZFX-UHFFFAOYSA-N 1 3 383.584 3.357 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000192729463 1432881057 /nfs/dbraw/zinc/88/10/57/1432881057.db2.gz VVWRZXSUZZMZFX-UHFFFAOYSA-N 1 3 383.584 3.357 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000192773244 1432888504 /nfs/dbraw/zinc/88/85/04/1432888504.db2.gz LSFVLWSROATTSI-UXHICEINSA-N 1 3 396.620 3.028 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000192773244 1432888506 /nfs/dbraw/zinc/88/85/06/1432888506.db2.gz LSFVLWSROATTSI-UXHICEINSA-N 1 3 396.620 3.028 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000192775131 1432888727 /nfs/dbraw/zinc/88/87/27/1432888727.db2.gz DVUUXOWOZICFRI-VXKWHMMOSA-N 1 3 377.548 3.130 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000192775131 1432888728 /nfs/dbraw/zinc/88/87/28/1432888728.db2.gz DVUUXOWOZICFRI-VXKWHMMOSA-N 1 3 377.548 3.130 20 0 GGADHO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192795914 1432892341 /nfs/dbraw/zinc/89/23/41/1432892341.db2.gz BFEQDSGPCNREDC-OAHLLOKOSA-N 1 3 389.510 3.129 20 0 GGADHO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)CCC2 ZINC000192823769 1432895216 /nfs/dbraw/zinc/89/52/16/1432895216.db2.gz CFVSOEDQZJDDQI-AEFFLSMTSA-N 1 3 391.556 3.005 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccsc1 ZINC000193692992 1433042052 /nfs/dbraw/zinc/04/20/52/1433042052.db2.gz SFUOISMIACQHJZ-IBGZPJMESA-N 1 3 378.586 3.305 20 0 GGADHO CN(CCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000193857170 1433074072 /nfs/dbraw/zinc/07/40/72/1433074072.db2.gz ACLPOMGENWGIKU-UHFFFAOYSA-N 1 3 384.524 3.017 20 0 GGADHO CN(CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000193860587 1433074736 /nfs/dbraw/zinc/07/47/36/1433074736.db2.gz CTGAKRPKYROCPA-UHFFFAOYSA-N 1 3 394.563 3.125 20 0 GGADHO COc1cc(CNCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)ccc1C ZINC000194321420 1433160847 /nfs/dbraw/zinc/16/08/47/1433160847.db2.gz VDXCOTVJZIWGQY-UHFFFAOYSA-N 1 3 381.520 3.119 20 0 GGADHO CC(C)[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000194726670 1433220654 /nfs/dbraw/zinc/22/06/54/1433220654.db2.gz CEDBXOBYNJGQTA-HXUWFJFHSA-N 1 3 397.485 3.430 20 0 GGADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194816487 1433239204 /nfs/dbraw/zinc/23/92/04/1433239204.db2.gz PYNBGGCCHDVQAR-UHFFFAOYSA-N 1 3 388.600 3.455 20 0 GGADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000194925832 1433265797 /nfs/dbraw/zinc/26/57/97/1433265797.db2.gz PZQAFBRNOATMAH-SFHVURJKSA-N 1 3 375.532 3.417 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)cc2)CC1 ZINC000194967637 1433274239 /nfs/dbraw/zinc/27/42/39/1433274239.db2.gz RWNGIAUBMOLKOF-HXUWFJFHSA-N 1 3 386.584 3.067 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)cc2)CC1 ZINC000194967637 1433274241 /nfs/dbraw/zinc/27/42/41/1433274241.db2.gz RWNGIAUBMOLKOF-HXUWFJFHSA-N 1 3 386.584 3.067 20 0 GGADHO CC(C)COc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195344318 1433321179 /nfs/dbraw/zinc/32/11/79/1433321179.db2.gz XECNQYZPOSDLDZ-UHFFFAOYSA-N 1 3 388.556 3.402 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000195343474 1433321188 /nfs/dbraw/zinc/32/11/88/1433321188.db2.gz BVFAZRABQDVDBX-UHFFFAOYSA-N 1 3 384.568 3.134 20 0 GGADHO CN(CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccccc1 ZINC000195614405 1433341910 /nfs/dbraw/zinc/34/19/10/1433341910.db2.gz JADDRLRMJYSOFS-JOCHJYFZSA-N 1 3 380.536 3.255 20 0 GGADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000236718411 1433377095 /nfs/dbraw/zinc/37/70/95/1433377095.db2.gz BBUXGIZCTNGZPM-UHFFFAOYSA-N 1 3 377.532 3.031 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236823196 1433380149 /nfs/dbraw/zinc/38/01/49/1433380149.db2.gz ABIGKGYUEKFVFF-UTKZUKDTSA-N 1 3 375.557 3.220 20 0 GGADHO CCN(CC)[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(OC)c1 ZINC000236877743 1433381700 /nfs/dbraw/zinc/38/17/00/1433381700.db2.gz UNTPCDLDKGABFU-FBBABVLZSA-N 1 3 375.557 3.220 20 0 GGADHO CC[NH+](CC)CCOc1cc(NC(=O)C[C@H](N)c2ccccc2)ccc1OC ZINC000236877483 1433381725 /nfs/dbraw/zinc/38/17/25/1433381725.db2.gz HDIFHKUJYAWUEL-IBGZPJMESA-N 1 3 385.508 3.444 20 0 GGADHO CC[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236951337 1433383847 /nfs/dbraw/zinc/38/38/47/1433383847.db2.gz MXBWTFYDLMTEBM-HSZRJFAPSA-N 1 3 391.559 3.261 20 0 GGADHO CC[NH2+]Cc1ccccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237031650 1433386628 /nfs/dbraw/zinc/38/66/28/1433386628.db2.gz DLWASCUORCXEAV-UHFFFAOYSA-N 1 3 380.536 3.337 20 0 GGADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)C[C@@H](N)c3ccccc3)cc2)CC1 ZINC000237095320 1433388771 /nfs/dbraw/zinc/38/87/71/1433388771.db2.gz QGVULWXEQDBIBX-JOCHJYFZSA-N 1 3 380.536 3.493 20 0 GGADHO CSCC[C@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000237308813 1433396510 /nfs/dbraw/zinc/39/65/10/1433396510.db2.gz NWYDKKKKSOTOGQ-IBGZPJMESA-N 1 3 375.582 3.114 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237364291 1433399271 /nfs/dbraw/zinc/39/92/71/1433399271.db2.gz QDDLQFLSMKAFQJ-PKOBYXMFSA-N 1 3 375.582 3.242 20 0 GGADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000237401433 1433400841 /nfs/dbraw/zinc/40/08/41/1433400841.db2.gz BBIFIRVNZZZXHD-UKAVVXHISA-N 1 3 379.589 3.022 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000237490669 1433405870 /nfs/dbraw/zinc/40/58/70/1433405870.db2.gz WIFKORJLFWQQCJ-KNQAVFIVSA-N 1 3 377.532 3.087 20 0 GGADHO O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237684405 1433416963 /nfs/dbraw/zinc/41/69/63/1433416963.db2.gz WTJLWTQNIMMHAC-NRFANRHFSA-N 1 3 383.923 3.135 20 0 GGADHO Cc1ccc(COc2ccc(C[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)cc2)cc1 ZINC000237816491 1433425622 /nfs/dbraw/zinc/42/56/22/1433425622.db2.gz BHCXSGIPVWYTCQ-JOCHJYFZSA-N 1 3 395.547 3.251 20 0 GGADHO [NH3+]Cc1ccc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000237961193 1433437174 /nfs/dbraw/zinc/43/71/74/1433437174.db2.gz GPEFSHWUDIYARB-UHFFFAOYSA-N 1 3 387.911 3.072 20 0 GGADHO [NH3+][C@@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000238008601 1433439265 /nfs/dbraw/zinc/43/92/65/1433439265.db2.gz OEKQPZIVZZAXLI-AZUAARDMSA-N 1 3 391.437 3.257 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000245440335 1433468166 /nfs/dbraw/zinc/46/81/66/1433468166.db2.gz ULKHVRXDCWFDSQ-YADHBBJMSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000245440335 1433468167 /nfs/dbraw/zinc/46/81/67/1433468167.db2.gz ULKHVRXDCWFDSQ-YADHBBJMSA-N 1 3 386.584 3.413 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccsc1 ZINC000245998116 1433555940 /nfs/dbraw/zinc/55/59/40/1433555940.db2.gz RNKXBYHXUOCHRZ-QXAKKESOSA-N 1 3 378.586 3.257 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccsc1 ZINC000245998116 1433555947 /nfs/dbraw/zinc/55/59/47/1433555947.db2.gz RNKXBYHXUOCHRZ-QXAKKESOSA-N 1 3 378.586 3.257 20 0 GGADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000246139991 1433573804 /nfs/dbraw/zinc/57/38/04/1433573804.db2.gz JLMMMDIDAMSHSJ-QZTJIDSGSA-N 1 3 378.586 3.401 20 0 GGADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000246139991 1433573807 /nfs/dbraw/zinc/57/38/07/1433573807.db2.gz JLMMMDIDAMSHSJ-QZTJIDSGSA-N 1 3 378.586 3.401 20 0 GGADHO CC(C)N(C(=O)[C@@H](C)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000246149908 1433574871 /nfs/dbraw/zinc/57/48/71/1433574871.db2.gz HMTNZGJQWMOWAF-HSALFYBXSA-N 1 3 381.605 3.232 20 0 GGADHO CC(C)N(C(=O)[C@@H](C)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000246149908 1433574878 /nfs/dbraw/zinc/57/48/78/1433574878.db2.gz HMTNZGJQWMOWAF-HSALFYBXSA-N 1 3 381.605 3.232 20 0 GGADHO CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000246149908 1433574881 /nfs/dbraw/zinc/57/48/81/1433574881.db2.gz HMTNZGJQWMOWAF-HSALFYBXSA-N 1 3 381.605 3.232 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246289133 1433590238 /nfs/dbraw/zinc/59/02/38/1433590238.db2.gz CGGQWZUJKJJIFU-UXHICEINSA-N 1 3 375.532 3.132 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246289133 1433590242 /nfs/dbraw/zinc/59/02/42/1433590242.db2.gz CGGQWZUJKJJIFU-UXHICEINSA-N 1 3 375.532 3.132 20 0 GGADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(C)Cc1ccccc1 ZINC000246313190 1433593602 /nfs/dbraw/zinc/59/36/02/1433593602.db2.gz JZILQKCZPBNQQW-CBQOVEMMSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(C)Cc1ccccc1 ZINC000246313190 1433593605 /nfs/dbraw/zinc/59/36/05/1433593605.db2.gz JZILQKCZPBNQQW-CBQOVEMMSA-N 1 3 384.568 3.165 20 0 GGADHO O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246542573 1433628035 /nfs/dbraw/zinc/62/80/35/1433628035.db2.gz JYCPHTHWAFMFGY-BKXMBWNOSA-N 1 3 384.564 3.390 20 0 GGADHO O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246542573 1433628037 /nfs/dbraw/zinc/62/80/37/1433628037.db2.gz JYCPHTHWAFMFGY-BKXMBWNOSA-N 1 3 384.564 3.390 20 0 GGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246578443 1433634100 /nfs/dbraw/zinc/63/41/00/1433634100.db2.gz WPKOZZNRQADKBL-NRSPTQNISA-N 1 3 384.568 3.165 20 0 GGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000246578443 1433634104 /nfs/dbraw/zinc/63/41/04/1433634104.db2.gz WPKOZZNRQADKBL-NRSPTQNISA-N 1 3 384.568 3.165 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CN1Cc1ccccc1 ZINC000246590291 1433635461 /nfs/dbraw/zinc/63/54/61/1433635461.db2.gz PNZCVJSWESVMFR-BAGYTPMASA-N 1 3 384.568 3.309 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c(OC)c1 ZINC000246859388 1433679155 /nfs/dbraw/zinc/67/91/55/1433679155.db2.gz BVZLFBFJNZHIIP-IAGOWNOFSA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000246859388 1433679156 /nfs/dbraw/zinc/67/91/56/1433679156.db2.gz BVZLFBFJNZHIIP-IAGOWNOFSA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC000246859388 1433679157 /nfs/dbraw/zinc/67/91/57/1433679157.db2.gz BVZLFBFJNZHIIP-IAGOWNOFSA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(OC)c1 ZINC000246859411 1433679390 /nfs/dbraw/zinc/67/93/90/1433679390.db2.gz BVZLFBFJNZHIIP-SJORKVTESA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(OC)c1 ZINC000246859411 1433679396 /nfs/dbraw/zinc/67/93/96/1433679396.db2.gz BVZLFBFJNZHIIP-SJORKVTESA-N 1 3 377.529 3.131 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[N@H+](C(C)C)C2)c(OC)c1 ZINC000246859411 1433679402 /nfs/dbraw/zinc/67/94/02/1433679402.db2.gz BVZLFBFJNZHIIP-SJORKVTESA-N 1 3 377.529 3.131 20 0 GGADHO C[C@@H](NCc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000246886794 1433682827 /nfs/dbraw/zinc/68/28/27/1433682827.db2.gz FFOLKXOEUMJCIK-RBUKOAKNSA-N 1 3 398.551 3.098 20 0 GGADHO C[C@@H]1C[C@H]([N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 ZINC000247251658 1433696516 /nfs/dbraw/zinc/69/65/16/1433696516.db2.gz ZYKKUEUYROBXJD-NXHRZFHOSA-N 1 3 383.458 3.135 20 0 GGADHO C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 ZINC000247251658 1433696520 /nfs/dbraw/zinc/69/65/20/1433696520.db2.gz ZYKKUEUYROBXJD-NXHRZFHOSA-N 1 3 383.458 3.135 20 0 GGADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247432192 1433721671 /nfs/dbraw/zinc/72/16/71/1433721671.db2.gz WOWMRZDZTQQHJO-FGZHOGPDSA-N 1 3 384.568 3.311 20 0 GGADHO C[C@@H]1Cc2ccccc2[C@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247958290 1433759231 /nfs/dbraw/zinc/75/92/31/1433759231.db2.gz FWVLCBNMXSOIPA-OAOOKAIFSA-N 1 3 377.532 3.407 20 0 GGADHO C[C@@H]1Cc2ccccc2[C@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247958290 1433759235 /nfs/dbraw/zinc/75/92/35/1433759235.db2.gz FWVLCBNMXSOIPA-OAOOKAIFSA-N 1 3 377.532 3.407 20 0 GGADHO NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC000248388862 1433793008 /nfs/dbraw/zinc/79/30/08/1433793008.db2.gz AGICXKDLKSHTFQ-YTFSRNRJSA-N 1 3 377.532 3.218 20 0 GGADHO CC(C)(C)S(=O)(=O)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248400196 1433797020 /nfs/dbraw/zinc/79/70/20/1433797020.db2.gz KQXKHXUEZVZUAB-XUVXKRRUSA-N 1 3 378.582 3.090 20 0 GGADHO CC(C)(C)S(=O)(=O)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248400196 1433797026 /nfs/dbraw/zinc/79/70/26/1433797026.db2.gz KQXKHXUEZVZUAB-XUVXKRRUSA-N 1 3 378.582 3.090 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000248402719 1433798964 /nfs/dbraw/zinc/79/89/64/1433798964.db2.gz WCIYKPCDMCNKGL-CYGODWOOSA-N 1 3 383.511 3.188 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1F ZINC000248409073 1433800208 /nfs/dbraw/zinc/80/02/08/1433800208.db2.gz WHOLOVCTEIMLEQ-XKCSPQBFSA-N 1 3 395.522 3.446 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1F ZINC000248409073 1433800209 /nfs/dbraw/zinc/80/02/09/1433800209.db2.gz WHOLOVCTEIMLEQ-XKCSPQBFSA-N 1 3 395.522 3.446 20 0 GGADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000248439322 1433802846 /nfs/dbraw/zinc/80/28/46/1433802846.db2.gz ILJKVACNWLROTC-HXOBKFHXSA-N 1 3 381.520 3.453 20 0 GGADHO CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000248439322 1433802847 /nfs/dbraw/zinc/80/28/47/1433802847.db2.gz ILJKVACNWLROTC-HXOBKFHXSA-N 1 3 381.520 3.453 20 0 GGADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248770471 1433821481 /nfs/dbraw/zinc/82/14/81/1433821481.db2.gz XZHFBWIJJYYLOB-QRVBRYPASA-N 1 3 383.577 3.111 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000248852082 1433825700 /nfs/dbraw/zinc/82/57/00/1433825700.db2.gz OWKCSKXGFSJOMI-SQMBMXPBSA-N 1 3 396.579 3.165 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000248852082 1433825702 /nfs/dbraw/zinc/82/57/02/1433825702.db2.gz OWKCSKXGFSJOMI-SQMBMXPBSA-N 1 3 396.579 3.165 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000248964017 1433831007 /nfs/dbraw/zinc/83/10/07/1433831007.db2.gz GXFJJDMHEYKUBX-GZOXUSKESA-N 1 3 379.548 3.391 20 0 GGADHO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000249042180 1433832910 /nfs/dbraw/zinc/83/29/10/1433832910.db2.gz VHWXOLGGXGJCDW-QYZOEREBSA-N 1 3 383.577 3.255 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000249274899 1433840014 /nfs/dbraw/zinc/84/00/14/1433840014.db2.gz KMQOOOVKJGHXHB-UXHICEINSA-N 1 3 396.620 3.028 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000249274899 1433840016 /nfs/dbraw/zinc/84/00/16/1433840016.db2.gz KMQOOOVKJGHXHB-UXHICEINSA-N 1 3 396.620 3.028 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000249416508 1433843253 /nfs/dbraw/zinc/84/32/53/1433843253.db2.gz GOWQWCDNCJZXRE-HLIPFELVSA-N 1 3 395.975 3.071 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)[C@@H](C)C1 ZINC000249461967 1433844392 /nfs/dbraw/zinc/84/43/92/1433844392.db2.gz QZQMFDUXDLLVRI-LEZSPFLNSA-N 1 3 381.605 3.042 20 0 GGADHO CC(C)C[C@H]1OCCC[C@@H]1NCC1(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)COC1 ZINC000249487898 1433844808 /nfs/dbraw/zinc/84/48/08/1433844808.db2.gz YPEIMVSPXDNZPX-MYGLTJDJSA-N 1 3 396.616 3.370 20 0 GGADHO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC1(CN[C@H]2CCCO[C@H]2CC(C)C)COC1 ZINC000249487898 1433844809 /nfs/dbraw/zinc/84/48/09/1433844809.db2.gz YPEIMVSPXDNZPX-MYGLTJDJSA-N 1 3 396.616 3.370 20 0 GGADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000249755382 1433851156 /nfs/dbraw/zinc/85/11/56/1433851156.db2.gz CTBOBKKOLOMHEL-MSOLQXFVSA-N 1 3 376.545 3.006 20 0 GGADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000249755382 1433851157 /nfs/dbraw/zinc/85/11/57/1433851157.db2.gz CTBOBKKOLOMHEL-MSOLQXFVSA-N 1 3 376.545 3.006 20 0 GGADHO Cc1cc(Br)cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000250077647 1433854207 /nfs/dbraw/zinc/85/42/07/1433854207.db2.gz OTJCATBRLTZXAE-HOCLYGCPSA-N 1 3 385.346 3.351 20 0 GGADHO Cc1cc(Br)cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000250077647 1433854208 /nfs/dbraw/zinc/85/42/08/1433854208.db2.gz OTJCATBRLTZXAE-HOCLYGCPSA-N 1 3 385.346 3.351 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000250479951 1433856198 /nfs/dbraw/zinc/85/61/98/1433856198.db2.gz BREFJFJZYVWGHK-QZTJIDSGSA-N 1 3 378.586 3.305 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000250479951 1433856199 /nfs/dbraw/zinc/85/61/99/1433856199.db2.gz BREFJFJZYVWGHK-QZTJIDSGSA-N 1 3 378.586 3.305 20 0 GGADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C/C=C\c2ccc(F)cc2)cc1 ZINC000255437244 1433882958 /nfs/dbraw/zinc/88/29/58/1433882958.db2.gz VRZCWDMTDDPJQP-ARJAWSKDSA-N 1 3 381.495 3.454 20 0 GGADHO CC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCc2ccccc2C1 ZINC000261479710 1433896896 /nfs/dbraw/zinc/89/68/96/1433896896.db2.gz ZXVYQMWRAZYYNP-RTWAWAEBSA-N 1 3 384.568 3.139 20 0 GGADHO CC[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCc2ccccc2C1 ZINC000261479710 1433896897 /nfs/dbraw/zinc/89/68/97/1433896897.db2.gz ZXVYQMWRAZYYNP-RTWAWAEBSA-N 1 3 384.568 3.139 20 0 GGADHO N[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000261711057 1433899741 /nfs/dbraw/zinc/89/97/41/1433899741.db2.gz KIOAKVJHYRMJMP-ZWKOTPCHSA-N 1 3 377.410 3.461 20 0 GGADHO N[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000261711057 1433899742 /nfs/dbraw/zinc/89/97/42/1433899742.db2.gz KIOAKVJHYRMJMP-ZWKOTPCHSA-N 1 3 377.410 3.461 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)cc2)CC1 ZINC000261762219 1433902225 /nfs/dbraw/zinc/90/22/25/1433902225.db2.gz QHDIDHFKIJLHFX-UHFFFAOYSA-N 1 3 396.510 3.254 20 0 GGADHO O=C(NC[C@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261921108 1433913095 /nfs/dbraw/zinc/91/30/95/1433913095.db2.gz UYOKGPSLVMEQAR-WBVHZDCISA-N 1 3 383.508 3.082 20 0 GGADHO CC(C)N1CCN(c2cccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])c2)CC1 ZINC000262242598 1433932276 /nfs/dbraw/zinc/93/22/76/1433932276.db2.gz HWTPBQAONJBNEM-JREAUHRESA-N 1 3 384.568 3.309 20 0 GGADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000262331599 1433935402 /nfs/dbraw/zinc/93/54/02/1433935402.db2.gz GTEOAQROYDJOHW-QFIPXVFZSA-N 1 3 381.520 3.024 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1(C)C ZINC000262468746 1433940487 /nfs/dbraw/zinc/94/04/87/1433940487.db2.gz GQAAKZIHPXFRGZ-OFNKIYASSA-N 1 3 387.568 3.067 20 0 GGADHO [NH3+][C@H](CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000262585102 1433944732 /nfs/dbraw/zinc/94/47/32/1433944732.db2.gz OEKQPZIVZZAXLI-UYAOXDASSA-N 1 3 391.437 3.257 20 0 GGADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000262652769 1433948212 /nfs/dbraw/zinc/94/82/12/1433948212.db2.gz YPFYULLFKARISZ-IEZWGBDMSA-N 1 3 383.458 3.027 20 0 GGADHO N[C@H](Cc1ccccc1)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262669298 1433948934 /nfs/dbraw/zinc/94/89/34/1433948934.db2.gz MFLSKRIYFCVLKD-XMMPIXPASA-N 1 3 393.575 3.408 20 0 GGADHO C[C@@H]1CN(CCC2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)C[C@@H](C)O1 ZINC000262697284 1433950388 /nfs/dbraw/zinc/95/03/88/1433950388.db2.gz XXYWVJDPOXBZSS-RTBURBONSA-N 1 3 379.589 3.024 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1(C)C ZINC000262752390 1433953470 /nfs/dbraw/zinc/95/34/70/1433953470.db2.gz ACTVHYKREJXHJN-LLBVYWAGSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1(C)C ZINC000262752390 1433953473 /nfs/dbraw/zinc/95/34/73/1433953473.db2.gz ACTVHYKREJXHJN-LLBVYWAGSA-N 1 3 387.568 3.067 20 0 GGADHO CC1CCN([C@@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c2ccccc2)CC1 ZINC000262747937 1433953706 /nfs/dbraw/zinc/95/37/06/1433953706.db2.gz KBEBYAVHQYFFGW-UNMCSNQZSA-N 1 3 395.551 3.011 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1(C)C ZINC000262763503 1433954872 /nfs/dbraw/zinc/95/48/72/1433954872.db2.gz FGQCKVYMMVIKMN-OFNKIYASSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1(C)C ZINC000262771789 1433955096 /nfs/dbraw/zinc/95/50/96/1433955096.db2.gz IABDAYXGHQHQKD-NFBKMPQASA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1(C)C ZINC000262771791 1433955194 /nfs/dbraw/zinc/95/51/94/1433955194.db2.gz IABDAYXGHQHQKD-NZQKXSOJSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1(C)C ZINC000262777283 1433955593 /nfs/dbraw/zinc/95/55/93/1433955593.db2.gz JSKBMYRKXQOQBD-NZQKXSOJSA-N 1 3 387.568 3.211 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1(C)C ZINC000262789043 1433956363 /nfs/dbraw/zinc/95/63/63/1433956363.db2.gz NJKNEQHSNFQELY-NFBKMPQASA-N 1 3 387.568 3.211 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1(C)C ZINC000262812399 1433957964 /nfs/dbraw/zinc/95/79/64/1433957964.db2.gz VMFWESLMBLARIF-LYHRCORUSA-N 1 3 387.568 3.299 20 0 GGADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000263168283 1433991648 /nfs/dbraw/zinc/99/16/48/1433991648.db2.gz FMEFWMPBRCHMGL-CTNGQTDRSA-N 1 3 393.959 3.207 20 0 GGADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000263168285 1433991800 /nfs/dbraw/zinc/99/18/00/1433991800.db2.gz FMEFWMPBRCHMGL-PZJWPPBQSA-N 1 3 393.959 3.207 20 0 GGADHO C[C@@H]1C[NH+](CC2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C[C@@H](C)O1 ZINC000263832322 1434039207 /nfs/dbraw/zinc/03/92/07/1434039207.db2.gz SMUCCRSUHLHTKW-WOJBJXKFSA-N 1 3 399.579 3.244 20 0 GGADHO C[C@H]1C[NH+](CC2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)C[C@H](C)O1 ZINC000263832320 1434039407 /nfs/dbraw/zinc/03/94/07/1434039407.db2.gz SMUCCRSUHLHTKW-PMACEKPBSA-N 1 3 399.579 3.244 20 0 GGADHO Cc1ccccc1[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000264882175 1434161823 /nfs/dbraw/zinc/16/18/23/1434161823.db2.gz USGWPAJCVHFAPH-QFIPXVFZSA-N 1 3 384.568 3.304 20 0 GGADHO COc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1OC(C)C ZINC000265628041 1434251621 /nfs/dbraw/zinc/25/16/21/1434251621.db2.gz RFIOWRRSOZPKDY-UHFFFAOYSA-N 1 3 399.535 3.064 20 0 GGADHO CN1CCC(O)(C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000265916489 1434282476 /nfs/dbraw/zinc/28/24/76/1434282476.db2.gz YXQYUOVFPWRACE-UHFFFAOYSA-N 1 3 387.911 3.139 20 0 GGADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000266284197 1434316333 /nfs/dbraw/zinc/31/63/33/1434316333.db2.gz BNGDIKBYQMGZSJ-FQEVSTJZSA-N 1 3 386.584 3.021 20 0 GGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000266426781 1434334808 /nfs/dbraw/zinc/33/48/08/1434334808.db2.gz RFVVGWWUFMPIMS-AZUAARDMSA-N 1 3 397.485 3.241 20 0 GGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000266426781 1434334809 /nfs/dbraw/zinc/33/48/09/1434334809.db2.gz RFVVGWWUFMPIMS-AZUAARDMSA-N 1 3 397.485 3.241 20 0 GGADHO C[NH+](C)Cc1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)cc1 ZINC000267883469 1434473717 /nfs/dbraw/zinc/47/37/17/1434473717.db2.gz PWKQCPYPKPGHCQ-UHFFFAOYSA-N 1 3 399.510 3.161 20 0 GGADHO CC[NH+](CC)CCSCC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000267887507 1434474199 /nfs/dbraw/zinc/47/41/99/1434474199.db2.gz OYONSZZTEPDVAW-UHFFFAOYSA-N 1 3 377.598 3.184 20 0 GGADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000268410909 1434520156 /nfs/dbraw/zinc/52/01/56/1434520156.db2.gz HTWKRGDQYCPRTQ-UHFFFAOYSA-N 1 3 392.494 3.092 20 0 GGADHO Cc1nn(Cc2ccc(C)cc2)c(C)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000268423763 1434521357 /nfs/dbraw/zinc/52/13/57/1434521357.db2.gz MTUZPPWGUHVQCB-UHFFFAOYSA-N 1 3 384.568 3.182 20 0 GGADHO COc1ccc(OC)c([C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268770891 1434555390 /nfs/dbraw/zinc/55/53/90/1434555390.db2.gz SLCGIONEMPONKH-BULFRSBZSA-N 1 3 384.520 3.237 20 0 GGADHO COc1ccc(OC)c([C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268770891 1434555392 /nfs/dbraw/zinc/55/53/92/1434555392.db2.gz SLCGIONEMPONKH-BULFRSBZSA-N 1 3 384.520 3.237 20 0 GGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000268805817 1434559329 /nfs/dbraw/zinc/55/93/29/1434559329.db2.gz HHPUMPYDGOGQPD-ZCNNSNEGSA-N 1 3 375.557 3.063 20 0 GGADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000268826556 1434561478 /nfs/dbraw/zinc/56/14/78/1434561478.db2.gz JBGBLYVXHCFWRR-RXVVDRJESA-N 1 3 394.519 3.021 20 0 GGADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000268825518 1434561615 /nfs/dbraw/zinc/56/16/15/1434561615.db2.gz JBGBLYVXHCFWRR-NQIIRXRSSA-N 1 3 394.519 3.021 20 0 GGADHO C[C@H]1C[C@@H](NCc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268839553 1434563253 /nfs/dbraw/zinc/56/32/53/1434563253.db2.gz QMSRHMPWNJLMAT-UWJYYQICSA-N 1 3 387.549 3.201 20 0 GGADHO C[C@H]1C[C@@H](NCc2ccc(NS(C)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268839553 1434563262 /nfs/dbraw/zinc/56/32/62/1434563262.db2.gz QMSRHMPWNJLMAT-UWJYYQICSA-N 1 3 387.549 3.201 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000268859376 1434565453 /nfs/dbraw/zinc/56/54/53/1434565453.db2.gz YIHXAJVLCSATDH-URXFXBBRSA-N 1 3 387.612 3.420 20 0 GGADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc(N3CCOCC3)c2)[C@H](C)C1 ZINC000268881648 1434567538 /nfs/dbraw/zinc/56/75/38/1434567538.db2.gz HZQRUJGLAUILMO-VIZSFHNOSA-N 1 3 389.584 3.311 20 0 GGADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(N3CCOCC3)c2)[C@H](C)C1 ZINC000268881648 1434567540 /nfs/dbraw/zinc/56/75/40/1434567540.db2.gz HZQRUJGLAUILMO-VIZSFHNOSA-N 1 3 389.584 3.311 20 0 GGADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc(N3CCOCC3)c2)[C@@H](C)C1 ZINC000268881637 1434567678 /nfs/dbraw/zinc/56/76/78/1434567678.db2.gz HZQRUJGLAUILMO-JTAQYXEDSA-N 1 3 389.584 3.311 20 0 GGADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc(N3CCOCC3)c2)[C@@H](C)C1 ZINC000268881637 1434567681 /nfs/dbraw/zinc/56/76/81/1434567681.db2.gz HZQRUJGLAUILMO-JTAQYXEDSA-N 1 3 389.584 3.311 20 0 GGADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000268979298 1434578069 /nfs/dbraw/zinc/57/80/69/1434578069.db2.gz KHHHYDZGZVCDRH-GOSISDBHSA-N 1 3 394.519 3.021 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000269021812 1434582664 /nfs/dbraw/zinc/58/26/64/1434582664.db2.gz PTTURTQKPOLNEE-OAHLLOKOSA-N 1 3 375.513 3.027 20 0 GGADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000269070753 1434587912 /nfs/dbraw/zinc/58/79/12/1434587912.db2.gz WZOJMESDCGDFHF-INIZCTEOSA-N 1 3 375.513 3.373 20 0 GGADHO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000269249635 1434613383 /nfs/dbraw/zinc/61/33/83/1434613383.db2.gz GIZBXKINLXOLJQ-VQTJNVASSA-N 1 3 378.520 3.075 20 0 GGADHO C[C@@H](C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000269260058 1434614998 /nfs/dbraw/zinc/61/49/98/1434614998.db2.gz MCYIMHDESVQZQF-VGOFRKELSA-N 1 3 399.510 3.121 20 0 GGADHO C[C@@H](C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000269260059 1434615162 /nfs/dbraw/zinc/61/51/62/1434615162.db2.gz MCYIMHDESVQZQF-VGSWGCGISA-N 1 3 399.510 3.121 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)c(C)c2)CC1 ZINC000269264512 1434615467 /nfs/dbraw/zinc/61/54/67/1434615467.db2.gz OOHOPEYCOHXUBQ-XMSQKQJNSA-N 1 3 380.536 3.412 20 0 GGADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C[C@H](N)c2ccccc2)cc1OC ZINC000269534203 1434657171 /nfs/dbraw/zinc/65/71/71/1434657171.db2.gz XWVGOMXSJUNALH-FQEVSTJZSA-N 1 3 399.535 3.122 20 0 GGADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000270485415 1434737889 /nfs/dbraw/zinc/73/78/89/1434737889.db2.gz AHMGMDQZZQJMSX-UHFFFAOYSA-N 1 3 392.975 3.159 20 0 GGADHO CC(C)[NH+]1CCN(C2CCN(Cc3ccc(OC(F)F)c(F)c3)CC2)CC1 ZINC000271194544 1434807406 /nfs/dbraw/zinc/80/74/06/1434807406.db2.gz HDAQRPQIOPJRAY-UHFFFAOYSA-N 1 3 385.474 3.418 20 0 GGADHO C[C@@H](CCN1CC[C@@H](C)[C@H](n2ccnc2)C1)[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000271217733 1434808910 /nfs/dbraw/zinc/80/89/10/1434808910.db2.gz JEFXBRUQUOUFRN-CTWRKMMKSA-N 1 3 384.572 3.324 20 0 GGADHO C[C@@H](CCN1CC[C@@H](C)[C@H](n2ccnc2)C1)[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000271217733 1434808912 /nfs/dbraw/zinc/80/89/12/1434808912.db2.gz JEFXBRUQUOUFRN-CTWRKMMKSA-N 1 3 384.572 3.324 20 0 GGADHO COCCc1nc(C)c([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000271452999 1434826061 /nfs/dbraw/zinc/82/60/61/1434826061.db2.gz ZCOXAOYKSRMOMK-OAHLLOKOSA-N 1 3 377.554 3.432 20 0 GGADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1OC(F)F ZINC000271537330 1434833098 /nfs/dbraw/zinc/83/30/98/1434833098.db2.gz SCRCHKFLAIRGNH-RRQGHBQHSA-N 1 3 384.467 3.325 20 0 GGADHO C[NH+]1CCC(O)(CN[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000272242685 1434881051 /nfs/dbraw/zinc/88/10/51/1434881051.db2.gz AVXPNHCTSGBZMS-LJQANCHMSA-N 1 3 376.447 3.424 20 0 GGADHO CN1CC[C@H]2CCN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000272449719 1434897202 /nfs/dbraw/zinc/89/72/02/1434897202.db2.gz PLOGFYPPXJBGNS-RXVVDRJESA-N 1 3 386.540 3.109 20 0 GGADHO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272553214 1434907094 /nfs/dbraw/zinc/90/70/94/1434907094.db2.gz SWTQIEULIJWCBK-LRXVAGHRSA-N 1 3 384.520 3.237 20 0 GGADHO C[NH+](C)C1CCN(c2ccc(NC3CCN(CCC(F)(F)F)CC3)nc2)CC1 ZINC000272611336 1434915054 /nfs/dbraw/zinc/91/50/54/1434915054.db2.gz WDCATWTVYJZRTJ-UHFFFAOYSA-N 1 3 399.505 3.441 20 0 GGADHO C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272691945 1434923277 /nfs/dbraw/zinc/92/32/77/1434923277.db2.gz WBSJSBDAYPEPIE-ZRCGQRJVSA-N 1 3 394.563 3.307 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272691943 1434923398 /nfs/dbraw/zinc/92/33/98/1434923398.db2.gz WBSJSBDAYPEPIE-TXTKFYIRSA-N 1 3 394.563 3.307 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272691944 1434923425 /nfs/dbraw/zinc/92/34/25/1434923425.db2.gz WBSJSBDAYPEPIE-VIZSFHNOSA-N 1 3 394.563 3.307 20 0 GGADHO CCNC(=O)COc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272762071 1434929113 /nfs/dbraw/zinc/92/91/13/1434929113.db2.gz LTRDNKFNUNGJGV-UGKGYDQZSA-N 1 3 395.547 3.202 20 0 GGADHO CCCN(CC[NH+](CC)CC)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000274118790 1435045137 /nfs/dbraw/zinc/04/51/37/1435045137.db2.gz MQMYSLRNMCVCNV-IBGZPJMESA-N 1 3 389.588 3.370 20 0 GGADHO COC(=O)CCC[NH+]1CCC(Nc2cccc(CN3CCSCC3)c2)CC1 ZINC000274166221 1435048116 /nfs/dbraw/zinc/04/81/16/1435048116.db2.gz ANCJWLYYSUIBDJ-UHFFFAOYSA-N 1 3 391.581 3.065 20 0 GGADHO CC(=O)c1cccc(OC[C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274784940 1435092286 /nfs/dbraw/zinc/09/22/86/1435092286.db2.gz AQUHYMPEIDBYHM-ANJVHQHFSA-N 1 3 396.531 3.129 20 0 GGADHO CC(=O)c1cccc(OC[C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274784940 1435092287 /nfs/dbraw/zinc/09/22/87/1435092287.db2.gz AQUHYMPEIDBYHM-ANJVHQHFSA-N 1 3 396.531 3.129 20 0 GGADHO CC(=O)c1cccc(OC[C@H](O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274784948 1435092338 /nfs/dbraw/zinc/09/23/38/1435092338.db2.gz AQUHYMPEIDBYHM-XANCMCCPSA-N 1 3 396.531 3.129 20 0 GGADHO CC(=O)c1cccc(OC[C@H](O)CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274784948 1435092340 /nfs/dbraw/zinc/09/23/40/1435092340.db2.gz AQUHYMPEIDBYHM-XANCMCCPSA-N 1 3 396.531 3.129 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NC[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000274821178 1435095396 /nfs/dbraw/zinc/09/53/96/1435095396.db2.gz GXTBTBKFUKNMCY-KEZQHZCBSA-N 1 3 389.584 3.021 20 0 GGADHO COc1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000274855503 1435098027 /nfs/dbraw/zinc/09/80/27/1435098027.db2.gz SAMQMQSWEYINEV-FXAWDEMLSA-N 1 3 397.519 3.143 20 0 GGADHO COc1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1OC ZINC000274855509 1435098040 /nfs/dbraw/zinc/09/80/40/1435098040.db2.gz SAMQMQSWEYINEV-YLJYHZDGSA-N 1 3 397.519 3.143 20 0 GGADHO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000274877753 1435100430 /nfs/dbraw/zinc/10/04/30/1435100430.db2.gz YUEGSUJKXRIIHS-VGOFRKELSA-N 1 3 394.519 3.084 20 0 GGADHO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274892437 1435101660 /nfs/dbraw/zinc/10/16/60/1435101660.db2.gz JPHSBFPRKKCBMV-KNQAVFIVSA-N 1 3 395.547 3.154 20 0 GGADHO C[C@H](NCc1ccccc1Cn1cncn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274894724 1435101780 /nfs/dbraw/zinc/10/17/80/1435101780.db2.gz JZQIFEHTJSAMRW-UGKGYDQZSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@H](NCc1ccccc1Cn1cncn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274894724 1435101784 /nfs/dbraw/zinc/10/17/84/1435101784.db2.gz JZQIFEHTJSAMRW-UGKGYDQZSA-N 1 3 375.520 3.327 20 0 GGADHO C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274894724 1435101787 /nfs/dbraw/zinc/10/17/87/1435101787.db2.gz JZQIFEHTJSAMRW-UGKGYDQZSA-N 1 3 375.520 3.327 20 0 GGADHO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000274927823 1435104081 /nfs/dbraw/zinc/10/40/81/1435104081.db2.gz QFMRSGQCVFQHMV-GEQKSPFYSA-N 1 3 384.520 3.237 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000274927823 1435104083 /nfs/dbraw/zinc/10/40/83/1435104083.db2.gz QFMRSGQCVFQHMV-GEQKSPFYSA-N 1 3 384.520 3.237 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000274927823 1435104085 /nfs/dbraw/zinc/10/40/85/1435104085.db2.gz QFMRSGQCVFQHMV-GEQKSPFYSA-N 1 3 384.520 3.237 20 0 GGADHO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCO1 ZINC000275399706 1435136709 /nfs/dbraw/zinc/13/67/09/1435136709.db2.gz CJSMYNBCYKSRNQ-VZWAGXQNSA-N 1 3 380.536 3.140 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2C)[C@H](C)C1 ZINC000276286944 1435202526 /nfs/dbraw/zinc/20/25/26/1435202526.db2.gz VBPUUWHMQBJGQP-URVUXULASA-N 1 3 389.584 3.069 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000276816044 1435234851 /nfs/dbraw/zinc/23/48/51/1435234851.db2.gz GDYDJBXCZAVWJC-GOSISDBHSA-N 1 3 387.572 3.028 20 0 GGADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C4CCN(c5cccnn5)CC4)[C@@H]3C2)cc1 ZINC000277032549 1435254157 /nfs/dbraw/zinc/25/41/57/1435254157.db2.gz FKSKHDDEQRLMQU-MDNUFGMLSA-N 1 3 391.563 3.336 20 0 GGADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000277364737 1435298977 /nfs/dbraw/zinc/29/89/77/1435298977.db2.gz UZOKOXUAUXVUAV-QUCCMNQESA-N 1 3 397.485 3.384 20 0 GGADHO CC[NH+]1CCN(Cc2ccc(CN[C@@H](C)c3cc(C(=O)OC)co3)cc2)CC1 ZINC000278350981 1435382732 /nfs/dbraw/zinc/38/27/32/1435382732.db2.gz ZAINCGSKAYQLBW-KRWDZBQOSA-N 1 3 385.508 3.055 20 0 GGADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000278363127 1435383976 /nfs/dbraw/zinc/38/39/76/1435383976.db2.gz BMDUAHMERJCHLX-MOPGFXCFSA-N 1 3 386.540 3.151 20 0 GGADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000278363127 1435383980 /nfs/dbraw/zinc/38/39/80/1435383980.db2.gz BMDUAHMERJCHLX-MOPGFXCFSA-N 1 3 386.540 3.151 20 0 GGADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cn1cccn1 ZINC000278371587 1435384887 /nfs/dbraw/zinc/38/48/87/1435384887.db2.gz BZGHCNPNMKHCLI-OALUTQOASA-N 1 3 386.540 3.092 20 0 GGADHO COc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1Cn1cccn1 ZINC000278371587 1435384889 /nfs/dbraw/zinc/38/48/89/1435384889.db2.gz BZGHCNPNMKHCLI-OALUTQOASA-N 1 3 386.540 3.092 20 0 GGADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1c[nH]c2ccccc21 ZINC000278832667 1435428318 /nfs/dbraw/zinc/42/83/18/1435428318.db2.gz YXKMAYNNXDCZOT-QGZVFWFLSA-N 1 3 382.552 3.336 20 0 GGADHO Cc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000279315791 1435485531 /nfs/dbraw/zinc/48/55/31/1435485531.db2.gz OAWVRFLAQDHLFV-UHFFFAOYSA-N 1 3 384.568 3.338 20 0 GGADHO Cc1ccc([C@@H]2CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)c(C)c1 ZINC000280570924 1435681487 /nfs/dbraw/zinc/68/14/87/1435681487.db2.gz CJPQWRZYXTWDOT-HXUWFJFHSA-N 1 3 398.595 3.361 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H](c3cccnc3)C3CCC3)c2)C1 ZINC000280923690 1435742159 /nfs/dbraw/zinc/74/21/59/1435742159.db2.gz RFTQNJXVYLGTLR-PKTZIBPZSA-N 1 3 392.547 3.410 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H](c3cccnc3)C3CCC3)c2)C1 ZINC000280923690 1435742167 /nfs/dbraw/zinc/74/21/67/1435742167.db2.gz RFTQNJXVYLGTLR-PKTZIBPZSA-N 1 3 392.547 3.410 20 0 GGADHO [NH3+]CC[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000281611025 1435815611 /nfs/dbraw/zinc/81/56/11/1435815611.db2.gz BFFJHSUGVAMFHP-IEBWSBKVSA-N 1 3 383.458 3.028 20 0 GGADHO CC(C)N1CCN(C2CC[NH+](Cc3ccc(-c4cnn(C)c4)s3)CC2)CC1 ZINC000282704069 1435857110 /nfs/dbraw/zinc/85/71/10/1435857110.db2.gz AHSUXRFHMKVBTP-UHFFFAOYSA-N 1 3 387.597 3.139 20 0 GGADHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c2ccccc21 ZINC000282994112 1435869434 /nfs/dbraw/zinc/86/94/34/1435869434.db2.gz FSQVKOLDUVOGOX-MLNNCEHLSA-N 1 3 386.536 3.136 20 0 GGADHO CCOC(=O)[C@@H]1CC[C@@H](NCC2([NH+]3CCCC3)CCOCC2)c2ccccc21 ZINC000283189470 1435878438 /nfs/dbraw/zinc/87/84/38/1435878438.db2.gz KLKHDXBMGSRYEZ-NHCUHLMSSA-N 1 3 386.536 3.403 20 0 GGADHO O[C@@H]1[C@H](C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC12CCOCC2 ZINC000283468539 1435891247 /nfs/dbraw/zinc/89/12/47/1435891247.db2.gz WAVSNMQABCCXSI-LHGONGGSSA-N 1 3 384.564 3.054 20 0 GGADHO CCOC(=O)[C@@H]1CC[C@@H](NCc2ccnc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000283489289 1435892304 /nfs/dbraw/zinc/89/23/04/1435892304.db2.gz XVSKQIJQVXAFSK-NHCUHLMSSA-N 1 3 397.519 3.293 20 0 GGADHO Cc1nn(C)c2ncc(CNCc3ccc(OC4CC[NH+](C)CC4)cc3)cc12 ZINC000284040844 1435978805 /nfs/dbraw/zinc/97/88/05/1435978805.db2.gz OULHLDGRJQJTSB-UHFFFAOYSA-N 1 3 379.508 3.040 20 0 GGADHO c1ccc(CN2CCCO[C@H](C[N@@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)C2)cc1 ZINC000284104625 1435990971 /nfs/dbraw/zinc/99/09/71/1435990971.db2.gz MSIQCXNVTXSKLY-NHTMILBNSA-N 1 3 383.580 3.226 20 0 GGADHO c1ccc(CN2CCCO[C@H](C[N@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)C2)cc1 ZINC000284104625 1435990982 /nfs/dbraw/zinc/99/09/82/1435990982.db2.gz MSIQCXNVTXSKLY-NHTMILBNSA-N 1 3 383.580 3.226 20 0 GGADHO Cn1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c(-c2cccnc2)n1 ZINC000284132608 1435996537 /nfs/dbraw/zinc/99/65/37/1435996537.db2.gz UNNWOHWGBVEFPL-UHFFFAOYSA-N 1 3 391.519 3.245 20 0 GGADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284293453 1436010710 /nfs/dbraw/zinc/01/07/10/1436010710.db2.gz YDGVYGDMIBRDLZ-UYAOXDASSA-N 1 3 387.568 3.396 20 0 GGADHO Clc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2c(n1)CNCC2 ZINC001164629893 719093436 /nfs/dbraw/zinc/09/34/36/719093436.db2.gz UCNHHZGWWCFZSM-DYESRHJHSA-N 1 3 382.939 3.482 20 0 GGADHO Clc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2c(n1)CNCC2 ZINC001164629893 719093442 /nfs/dbraw/zinc/09/34/42/719093442.db2.gz UCNHHZGWWCFZSM-DYESRHJHSA-N 1 3 382.939 3.482 20 0 GGADHO Clc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2c(n1)CNCC2 ZINC001164629895 719094449 /nfs/dbraw/zinc/09/44/49/719094449.db2.gz UCNHHZGWWCFZSM-LAUBAEHRSA-N 1 3 382.939 3.482 20 0 GGADHO Clc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2c(n1)CNCC2 ZINC001164629895 719094457 /nfs/dbraw/zinc/09/44/57/719094457.db2.gz UCNHHZGWWCFZSM-LAUBAEHRSA-N 1 3 382.939 3.482 20 0 GGADHO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N(C)C)n1)CC2 ZINC001164711053 720099241 /nfs/dbraw/zinc/09/92/41/720099241.db2.gz NPRWTUXWNQDJLU-FQEVSTJZSA-N 1 3 395.551 3.050 20 0 GGADHO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N(C)C)n1)CC2 ZINC001164711053 720099252 /nfs/dbraw/zinc/09/92/52/720099252.db2.gz NPRWTUXWNQDJLU-FQEVSTJZSA-N 1 3 395.551 3.050 20 0 GGADHO CC(C)N(C)Cc1cnc2n1CCN(c1ccc(C[NH+]3CCCC3)cn1)[C@@H]2C ZINC001164857226 720999819 /nfs/dbraw/zinc/99/98/19/720999819.db2.gz DSSQXJRMYFAOQJ-GOSISDBHSA-N 1 3 382.556 3.295 20 0 GGADHO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)cc(C)n1)CC2 ZINC001164790583 721450741 /nfs/dbraw/zinc/45/07/41/721450741.db2.gz ZUIWTSPKNQVOKF-NRFANRHFSA-N 1 3 387.568 3.432 20 0 GGADHO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)cc(C)n1)CC2 ZINC001164790583 721450742 /nfs/dbraw/zinc/45/07/42/721450742.db2.gz ZUIWTSPKNQVOKF-NRFANRHFSA-N 1 3 387.568 3.432 20 0 GGADHO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(N2CCCC2)cc2ccccc21 ZINC001164933269 721881783 /nfs/dbraw/zinc/88/17/83/721881783.db2.gz LIVZLIWRWHQZAZ-RTWAWAEBSA-N 1 3 379.552 3.050 20 0 GGADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(N2CCCC2)cc2ccccc21 ZINC001164933265 721881998 /nfs/dbraw/zinc/88/19/98/721881998.db2.gz LIVZLIWRWHQZAZ-LEWJYISDSA-N 1 3 379.552 3.050 20 0 GGADHO Clc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2c(n1)CNCC2 ZINC001164955835 722021134 /nfs/dbraw/zinc/02/11/34/722021134.db2.gz OKENQAWSULPJGB-UHFFFAOYSA-N 1 3 397.954 3.268 20 0 GGADHO Clc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2c(n1)CNCC2 ZINC001164955835 722021136 /nfs/dbraw/zinc/02/11/36/722021136.db2.gz OKENQAWSULPJGB-UHFFFAOYSA-N 1 3 397.954 3.268 20 0 GGADHO C[NH+](C)CCOc1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1 ZINC001177821588 1126150519 /nfs/dbraw/zinc/15/05/19/1126150519.db2.gz AEQAGOGBSJMXMG-UXHICEINSA-N 1 3 396.453 3.251 20 0 GGADHO COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000058326814 222049378 /nfs/dbraw/zinc/04/93/78/222049378.db2.gz HQUNBMLYNZYJSQ-SFHVURJKSA-N 1 3 386.565 3.325 20 0 GGADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cc(Br)c(Cl)s1 ZINC000190991839 565576410 /nfs/dbraw/zinc/57/64/10/565576410.db2.gz OPBDRFDPPCRORV-LLVKDONJSA-N 1 3 381.767 3.491 20 0 GGADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cc(Br)c(Cl)s1 ZINC000190991839 565576417 /nfs/dbraw/zinc/57/64/17/565576417.db2.gz OPBDRFDPPCRORV-LLVKDONJSA-N 1 3 381.767 3.491 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119426066 564270339 /nfs/dbraw/zinc/27/03/39/564270339.db2.gz FVZNLLPLOJHXDD-ZIAGYGMSSA-N 1 3 380.330 3.240 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000119426066 564270342 /nfs/dbraw/zinc/27/03/42/564270342.db2.gz FVZNLLPLOJHXDD-ZIAGYGMSSA-N 1 3 380.330 3.240 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119425710 564270437 /nfs/dbraw/zinc/27/04/37/564270437.db2.gz FVZNLLPLOJHXDD-KBPBESRZSA-N 1 3 380.330 3.240 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119425710 564270439 /nfs/dbraw/zinc/27/04/39/564270439.db2.gz FVZNLLPLOJHXDD-KBPBESRZSA-N 1 3 380.330 3.240 20 0 GGADHO Cc1cc(Br)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797611 564559932 /nfs/dbraw/zinc/55/99/32/564559932.db2.gz CTGXNDNYTZRWHU-UHFFFAOYSA-N 1 3 394.357 3.046 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)CSc3ccccc3Cl)CC2)CC1 ZINC000050800275 564559951 /nfs/dbraw/zinc/55/99/51/564559951.db2.gz QQVVMBKZBYFPII-UHFFFAOYSA-N 1 3 381.973 3.107 20 0 GGADHO Brc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc2c1OCCCO2 ZINC000071939936 564858910 /nfs/dbraw/zinc/85/89/10/564858910.db2.gz IGRSGDCGYOTRPI-CYBMUJFWSA-N 1 3 381.314 3.184 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(Cl)c1Cl ZINC000077835960 564863193 /nfs/dbraw/zinc/86/31/93/564863193.db2.gz LPYJMILSBCEPCS-CYBMUJFWSA-N 1 3 375.344 3.189 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000150954891 564898976 /nfs/dbraw/zinc/89/89/76/564898976.db2.gz VATRAFNCEAPTQS-SFHVURJKSA-N 1 3 384.337 3.191 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000150968001 564900066 /nfs/dbraw/zinc/90/00/66/564900066.db2.gz KLUSPHMTXQATOZ-SFHVURJKSA-N 1 3 396.373 3.278 20 0 GGADHO CCO[C@@H](CC[NH+](C)C)CNCC1=Cc2cc(Br)ccc2OC1 ZINC000150998315 564901037 /nfs/dbraw/zinc/90/10/37/564901037.db2.gz JKOKFRLZXQWKLV-KRWDZBQOSA-N 1 3 383.330 3.171 20 0 GGADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000154260109 565031728 /nfs/dbraw/zinc/03/17/28/565031728.db2.gz XVQHVZURZSEPPX-SFHVURJKSA-N 1 3 396.373 3.280 20 0 GGADHO CN1CCN(CCCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000154354495 565034788 /nfs/dbraw/zinc/03/47/88/565034788.db2.gz PTABKCBERZOTNU-SFHVURJKSA-N 1 3 384.337 3.193 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1Br ZINC000154337442 565035400 /nfs/dbraw/zinc/03/54/00/565035400.db2.gz FNRFEGNAXHLMEA-OAHLLOKOSA-N 1 3 384.362 3.136 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000155591360 565069485 /nfs/dbraw/zinc/06/94/85/565069485.db2.gz MULYXGGIHPTOHC-SCLBCKFNSA-N 1 3 384.337 3.191 20 0 GGADHO CC(C)[NH+]1CCC(O)(CNCC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000268424919 565150584 /nfs/dbraw/zinc/15/05/84/565150584.db2.gz MXGKEUWBURWOFJ-UHFFFAOYSA-N 1 3 395.341 3.050 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(Cl)c(F)cc3Cl)CC2)CC1 ZINC000293223217 565156885 /nfs/dbraw/zinc/15/68/85/565156885.db2.gz YXURKMBXLULHDZ-UHFFFAOYSA-N 1 3 388.314 3.421 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371437062 565193705 /nfs/dbraw/zinc/19/37/05/565193705.db2.gz ARODPEXNZIBZQB-KBRIMQKVSA-N 1 3 380.330 3.383 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371437062 565193710 /nfs/dbraw/zinc/19/37/10/565193710.db2.gz ARODPEXNZIBZQB-KBRIMQKVSA-N 1 3 380.330 3.383 20 0 GGADHO C[C@@H]1C[N@H+](CCCc2ccccc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000371697396 565206210 /nfs/dbraw/zinc/20/62/10/565206210.db2.gz VWOREGZSTATGFK-YLJYHZDGSA-N 1 3 394.401 3.340 20 0 GGADHO C[C@@H]1C[N@@H+](CCCc2ccccc2Br)CC[C@H]1N1CCN(C)CC1 ZINC000371697396 565206212 /nfs/dbraw/zinc/20/62/12/565206212.db2.gz VWOREGZSTATGFK-YLJYHZDGSA-N 1 3 394.401 3.340 20 0 GGADHO CCOCCOc1ccc(Br)cc1CNCC1=CC[N@H+](C)CC1 ZINC000271842432 565269773 /nfs/dbraw/zinc/26/97/73/565269773.db2.gz RCWDRKXSUOKZTN-UHFFFAOYSA-N 1 3 383.330 3.216 20 0 GGADHO CCOCCOc1ccc(Br)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000271842432 565269778 /nfs/dbraw/zinc/26/97/78/565269778.db2.gz RCWDRKXSUOKZTN-UHFFFAOYSA-N 1 3 383.330 3.216 20 0 GGADHO Cc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1Br ZINC000161755320 565292665 /nfs/dbraw/zinc/29/26/65/565292665.db2.gz PGELHNUJCOVDQP-UHFFFAOYSA-N 1 3 394.357 3.046 20 0 GGADHO C[C@H](CN(C)CCOCC[N@@H+](C)C[C@@H](C)c1nccs1)c1nccs1 ZINC000273090919 565306788 /nfs/dbraw/zinc/30/67/88/565306788.db2.gz SOTKZVPYJRYUNS-HZPDHXFCSA-N 1 3 382.599 3.387 20 0 GGADHO C[C@@H](CN(C)CCOCC[N@@H+](C)C[C@H](C)c1nccs1)c1nccs1 ZINC000273090917 565307005 /nfs/dbraw/zinc/30/70/05/565307005.db2.gz SOTKZVPYJRYUNS-HOTGVXAUSA-N 1 3 382.599 3.387 20 0 GGADHO CCN1CCN(CCCC[NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188121594 565381409 /nfs/dbraw/zinc/38/14/09/565381409.db2.gz QYTZBCROQTUWNM-KRWDZBQOSA-N 1 3 382.390 3.387 20 0 GGADHO CN(CCC(=O)Nc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000298540756 565418813 /nfs/dbraw/zinc/41/88/13/565418813.db2.gz NBCDTKZNXWMNDH-YIONKMFJSA-N 1 3 380.330 3.335 20 0 GGADHO CN(CCC(=O)Nc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000298540756 565418820 /nfs/dbraw/zinc/41/88/20/565418820.db2.gz NBCDTKZNXWMNDH-YIONKMFJSA-N 1 3 380.330 3.335 20 0 GGADHO CCN1CCN(CCC[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190759496 565556248 /nfs/dbraw/zinc/55/62/48/565556248.db2.gz UAJBEWAPCCCMIT-UHFFFAOYSA-N 1 3 380.783 3.281 20 0 GGADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cc(Br)c(Cl)s1 ZINC000190991855 565575925 /nfs/dbraw/zinc/57/59/25/565575925.db2.gz OPBDRFDPPCRORV-NSHDSACASA-N 1 3 381.767 3.491 20 0 GGADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cc(Br)c(Cl)s1 ZINC000190991855 565575929 /nfs/dbraw/zinc/57/59/29/565575929.db2.gz OPBDRFDPPCRORV-NSHDSACASA-N 1 3 381.767 3.491 20 0 GGADHO CC(C)N1CCN(CCC[N@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000192719913 565707698 /nfs/dbraw/zinc/70/76/98/565707698.db2.gz FEBRZILCUBSLQW-UHFFFAOYSA-N 1 3 398.389 3.176 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+](C)CCOc2ccc(Br)cc2)CC1 ZINC000192719913 565707702 /nfs/dbraw/zinc/70/77/02/565707702.db2.gz FEBRZILCUBSLQW-UHFFFAOYSA-N 1 3 398.389 3.176 20 0 GGADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193974413 565787099 /nfs/dbraw/zinc/78/70/99/565787099.db2.gz CWIDICNOLAIQGF-LJQANCHMSA-N 1 3 380.374 3.444 20 0 GGADHO C[NH+](C)C1CCN(CCNCC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000176989943 565820600 /nfs/dbraw/zinc/82/06/00/565820600.db2.gz RQUUFEWFYVYAMZ-UHFFFAOYSA-N 1 3 384.351 3.385 20 0 GGADHO CC[C@H](C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)N(C)C ZINC000413826414 565877053 /nfs/dbraw/zinc/87/70/53/565877053.db2.gz QLBPHCMJQSNHHU-GOSISDBHSA-N 1 3 396.373 3.212 20 0 GGADHO O=C1CC[C@@H](N[C@@H]2CCSc3ccc(Cl)cc32)[C@H](C2CC[NH2+]CC2)N1 ZINC000333348169 565878567 /nfs/dbraw/zinc/87/85/67/565878567.db2.gz ZSSMHEMKZKGMBE-MDZRGWNJSA-N 1 3 379.957 3.113 20 0 GGADHO C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)[C@@H]1CCCNC1 ZINC000414857086 565963995 /nfs/dbraw/zinc/96/39/95/565963995.db2.gz OUXIVDTVSUVJNB-HZPDHXFCSA-N 1 3 380.374 3.391 20 0 GGADHO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC000414948823 565966842 /nfs/dbraw/zinc/96/68/42/565966842.db2.gz MOFIUWGDQIVYJU-YOEHRIQHSA-N 1 3 394.357 3.092 20 0 GGADHO COCC1(CNCc2cc(Br)ccc2OC(F)F)CC[NH2+]CC1 ZINC000414967649 565967366 /nfs/dbraw/zinc/96/73/66/565967366.db2.gz DBZVBHFMMQKSMX-UHFFFAOYSA-N 1 3 393.272 3.156 20 0 GGADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1c(F)ccc(I)c1F ZINC000415001609 565969702 /nfs/dbraw/zinc/96/97/02/565969702.db2.gz VEEPHRNMCLOXSO-BZJXFRBESA-N 1 3 392.231 3.175 20 0 GGADHO COc1c(Br)cc(Br)cc1CN[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415028645 565970509 /nfs/dbraw/zinc/97/05/09/565970509.db2.gz CWBVHFCLEHTBJQ-JOYOIKCWSA-N 1 3 392.135 3.437 20 0 GGADHO COc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000362031725 565975009 /nfs/dbraw/zinc/97/50/09/565975009.db2.gz DOXRHNXGPDAQMP-HUUCEWRRSA-N 1 3 396.373 3.277 20 0 GGADHO COc1ccc([C@@H](C)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Br)c1 ZINC000362031725 565975014 /nfs/dbraw/zinc/97/50/14/565975014.db2.gz DOXRHNXGPDAQMP-HUUCEWRRSA-N 1 3 396.373 3.277 20 0 GGADHO COc1ccc([C@@H](C)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000362031725 565975020 /nfs/dbraw/zinc/97/50/20/565975020.db2.gz DOXRHNXGPDAQMP-HUUCEWRRSA-N 1 3 396.373 3.277 20 0 GGADHO CN(Cc1cnn(-c2ccc(Br)cc2)c1)CC1CC[NH+](C)CC1 ZINC000179447848 565981023 /nfs/dbraw/zinc/98/10/23/565981023.db2.gz ISYXUUGNCORLAS-UHFFFAOYSA-N 1 3 377.330 3.408 20 0 GGADHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@H]1CCc2c1c(Br)ccc2F ZINC000245550391 565996031 /nfs/dbraw/zinc/99/60/31/565996031.db2.gz HQGANOXLTQRRKS-GUYCJALGSA-N 1 3 385.321 3.402 20 0 GGADHO OC[C@@H]1CCC[N@H+]1CCCCN[C@H]1CCc2c1c(Br)ccc2F ZINC000245550391 565996036 /nfs/dbraw/zinc/99/60/36/565996036.db2.gz HQGANOXLTQRRKS-GUYCJALGSA-N 1 3 385.321 3.402 20 0 GGADHO C[C@H](N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccc(F)cc1Br ZINC000363780122 566021024 /nfs/dbraw/zinc/02/10/24/566021024.db2.gz BHTXTDUCZHWZNZ-DZGCQCFKSA-N 1 3 384.337 3.407 20 0 GGADHO C[C@H](N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(F)cc1Br ZINC000363780122 566021027 /nfs/dbraw/zinc/02/10/27/566021027.db2.gz BHTXTDUCZHWZNZ-DZGCQCFKSA-N 1 3 384.337 3.407 20 0 GGADHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(F)cc1Br ZINC000363780122 566021032 /nfs/dbraw/zinc/02/10/32/566021032.db2.gz BHTXTDUCZHWZNZ-DZGCQCFKSA-N 1 3 384.337 3.407 20 0 GGADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000365096897 566082709 /nfs/dbraw/zinc/08/27/09/566082709.db2.gz WZMGISIOKFSSLE-YJBOKZPZSA-N 1 3 380.374 3.138 20 0 GGADHO C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000365096712 566082790 /nfs/dbraw/zinc/08/27/90/566082790.db2.gz WZMGISIOKFSSLE-CRAIPNDOSA-N 1 3 380.374 3.138 20 0 GGADHO CC[N@@H+]1CC[C@@H](NCCC(=O)Nc2cc(Br)ccc2C)[C@H](C)C1 ZINC000180829188 566093330 /nfs/dbraw/zinc/09/33/30/566093330.db2.gz MIDNOJQOAQNVNZ-GDBMZVCRSA-N 1 3 382.346 3.406 20 0 GGADHO CC[N@H+]1CC[C@@H](NCCC(=O)Nc2cc(Br)ccc2C)[C@H](C)C1 ZINC000180829188 566093337 /nfs/dbraw/zinc/09/33/37/566093337.db2.gz MIDNOJQOAQNVNZ-GDBMZVCRSA-N 1 3 382.346 3.406 20 0 GGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000180829908 566093439 /nfs/dbraw/zinc/09/34/39/566093439.db2.gz QRMGUPHIGVOTFX-DZKIICNBSA-N 1 3 382.346 3.404 20 0 GGADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000180829908 566093441 /nfs/dbraw/zinc/09/34/41/566093441.db2.gz QRMGUPHIGVOTFX-DZKIICNBSA-N 1 3 382.346 3.404 20 0 GGADHO O=C(NC[C@@H]1CCCN(CCSc2ccc(Cl)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261845754 566137606 /nfs/dbraw/zinc/13/76/06/566137606.db2.gz LYGFQDRQVTXANR-MAUKXSAKSA-N 1 3 381.973 3.012 20 0 GGADHO CCCN(C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(Cl)cc1 ZINC000418186121 566202378 /nfs/dbraw/zinc/20/23/78/566202378.db2.gz RNYMVCJLOFQEMX-LSDHHAIUSA-N 1 3 376.879 3.005 20 0 GGADHO C[C@H](C[NH3+])CNC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000418472664 566214491 /nfs/dbraw/zinc/21/44/91/566214491.db2.gz NQERVDMLRHOLRY-CQSZACIVSA-N 1 3 387.355 3.196 20 0 GGADHO C[C@H](CCCC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000418690103 566219290 /nfs/dbraw/zinc/21/92/90/566219290.db2.gz GMYQRIYZZDADMN-OAHLLOKOSA-N 1 3 399.377 3.040 20 0 GGADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000420372305 566274564 /nfs/dbraw/zinc/27/45/64/566274564.db2.gz FARLKMSOXKSOIN-MSOLQXFVSA-N 1 3 383.330 3.046 20 0 GGADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000420372395 566274682 /nfs/dbraw/zinc/27/46/82/566274682.db2.gz FKBTVJUKYGWGJJ-ZWKOTPCHSA-N 1 3 383.330 3.046 20 0 GGADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3cccc(Br)c3)CC2)C1 ZINC000420389984 566276170 /nfs/dbraw/zinc/27/61/70/566276170.db2.gz MWDLKRSPDONPCR-FUHWJXTLSA-N 1 3 383.330 3.046 20 0 GGADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccc(Br)cc3)CC2)C1 ZINC000420389547 566276431 /nfs/dbraw/zinc/27/64/31/566276431.db2.gz MESFWYKECGQMIH-SJLPKXTDSA-N 1 3 383.330 3.046 20 0 GGADHO C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000535414635 566303106 /nfs/dbraw/zinc/30/31/06/566303106.db2.gz ZISMNDZKMJMQOC-CQSZACIVSA-N 1 3 389.371 3.059 20 0 GGADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1cccc(Br)c1 ZINC000576030122 566308648 /nfs/dbraw/zinc/30/86/48/566308648.db2.gz ODBXBUOBWAGSDO-SFHVURJKSA-N 1 3 397.357 3.185 20 0 GGADHO CC[C@@H](CSc1ccc(Cl)cc1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482539752 566315950 /nfs/dbraw/zinc/31/59/50/566315950.db2.gz SLBSYBXPBFOSSE-WBVHZDCISA-N 1 3 383.989 3.388 20 0 GGADHO CC[C@@H](CSc1ccc(Cl)cc1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482539752 566315958 /nfs/dbraw/zinc/31/59/58/566315958.db2.gz SLBSYBXPBFOSSE-WBVHZDCISA-N 1 3 383.989 3.388 20 0 GGADHO CC[C@H](CSc1ccc(Cl)cc1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482539750 566316559 /nfs/dbraw/zinc/31/65/59/566316559.db2.gz SLBSYBXPBFOSSE-NVXWUHKLSA-N 1 3 383.989 3.388 20 0 GGADHO CC[C@H](CSc1ccc(Cl)cc1)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482539750 566316565 /nfs/dbraw/zinc/31/65/65/566316565.db2.gz SLBSYBXPBFOSSE-NVXWUHKLSA-N 1 3 383.989 3.388 20 0 GGADHO CN(C)CCN(Cc1ccc(Br)cc1)C(=O)CCCC[NH+](C)C ZINC000556940299 566348193 /nfs/dbraw/zinc/34/81/93/566348193.db2.gz UDXCULOFYHLYBX-UHFFFAOYSA-N 1 3 384.362 3.071 20 0 GGADHO C[NH+](C)C1CCC(NCc2ccc(F)cc2I)CC1 ZINC000421367071 566368396 /nfs/dbraw/zinc/36/83/96/566368396.db2.gz DMNCFKQDQSWIND-UHFFFAOYSA-N 1 3 376.257 3.393 20 0 GGADHO COc1cc(Br)c(CNCC2CC[NH+](C3CC3)CC2)cc1OC ZINC000446891300 566369823 /nfs/dbraw/zinc/36/98/23/566369823.db2.gz WRQVOAOVDNPCTD-UHFFFAOYSA-N 1 3 383.330 3.430 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(Br)c1C ZINC000463619505 566422046 /nfs/dbraw/zinc/42/20/46/566422046.db2.gz RGOUCYMKKRYTEA-INIZCTEOSA-N 1 3 396.373 3.246 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(Br)c1C ZINC000463619505 566422054 /nfs/dbraw/zinc/42/20/54/566422054.db2.gz RGOUCYMKKRYTEA-INIZCTEOSA-N 1 3 396.373 3.246 20 0 GGADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)s1 ZINC000671683345 566438351 /nfs/dbraw/zinc/43/83/51/566438351.db2.gz VLQLYRJYJMHALD-CYBMUJFWSA-N 1 3 377.476 3.255 20 0 GGADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000422637625 566460654 /nfs/dbraw/zinc/46/06/54/566460654.db2.gz PCNQSYUNNQDVLS-UPJWGTAASA-N 1 3 386.309 3.222 20 0 GGADHO Cc1nc(-c2ccc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)s2)cs1 ZINC000422799526 566463007 /nfs/dbraw/zinc/46/30/07/566463007.db2.gz XCUKQZUAZYOVLE-BRWVUGGUSA-N 1 3 377.579 3.469 20 0 GGADHO Brc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422785997 566463140 /nfs/dbraw/zinc/46/31/40/566463140.db2.gz QAMJTNDZYRSOIG-ZTFGCOKTSA-N 1 3 379.342 3.227 20 0 GGADHO Brc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422785996 566463272 /nfs/dbraw/zinc/46/32/72/566463272.db2.gz QAMJTNDZYRSOIG-JCGIZDLHSA-N 1 3 379.342 3.227 20 0 GGADHO Brc1cccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422748358 566463349 /nfs/dbraw/zinc/46/33/49/566463349.db2.gz UFBDNXMTGXUKOU-FGTMMUONSA-N 1 3 379.342 3.227 20 0 GGADHO Fc1cc(Br)ccc1CCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422751612 566463494 /nfs/dbraw/zinc/46/34/94/566463494.db2.gz BSUAEFOEEUKGAS-KBAYOESNSA-N 1 3 385.321 3.268 20 0 GGADHO O=C(NCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422876896 566465056 /nfs/dbraw/zinc/46/50/56/566465056.db2.gz GQCXBGUIADJUOA-KURKYZTESA-N 1 3 394.357 3.079 20 0 GGADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000422875661 566465704 /nfs/dbraw/zinc/46/57/04/566465704.db2.gz FNMOBZGBVMGGMV-OKZBNKHCSA-N 1 3 381.358 3.473 20 0 GGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423033914 566469016 /nfs/dbraw/zinc/46/90/16/566469016.db2.gz PDKWZFYRLXUHCA-AGRHKRQWSA-N 1 3 386.367 3.300 20 0 GGADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423033921 566469300 /nfs/dbraw/zinc/46/93/00/566469300.db2.gz PDKWZFYRLXUHCA-MJXNMMHHSA-N 1 3 386.367 3.300 20 0 GGADHO CC(C)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Br ZINC000422991786 566469794 /nfs/dbraw/zinc/46/97/94/566469794.db2.gz BQWUMWSEWBSRTI-JCGIZDLHSA-N 1 3 381.358 3.473 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cccc(Br)c1 ZINC000423073501 566472709 /nfs/dbraw/zinc/47/27/09/566472709.db2.gz IUJAJMQOEXOKEJ-DSLXNQLJSA-N 1 3 381.358 3.110 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1Br ZINC000423070692 566472869 /nfs/dbraw/zinc/47/28/69/566472869.db2.gz DFCBTOLMWOQPOZ-OYSPMZIOSA-N 1 3 381.358 3.110 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000423078023 566473382 /nfs/dbraw/zinc/47/33/82/566473382.db2.gz VCXVBHRVQUOGFM-DSLXNQLJSA-N 1 3 381.358 3.110 20 0 GGADHO Brc1cccc2[nH]cc(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c21 ZINC000423130743 566476716 /nfs/dbraw/zinc/47/67/16/566476716.db2.gz YVDHMRNTNLAFDM-HYVNUMGLSA-N 1 3 392.341 3.220 20 0 GGADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000423127329 566477234 /nfs/dbraw/zinc/47/72/34/566477234.db2.gz BVSFCQYXEILXCT-RBOXIYTFSA-N 1 3 387.749 3.476 20 0 GGADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000423127329 566477238 /nfs/dbraw/zinc/47/72/38/566477238.db2.gz BVSFCQYXEILXCT-RBOXIYTFSA-N 1 3 387.749 3.476 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1cc(F)cc(Br)c1 ZINC000423169976 566480248 /nfs/dbraw/zinc/48/02/48/566480248.db2.gz KTOSFFHEKXXBPI-JEDBISTDSA-N 1 3 399.348 3.250 20 0 GGADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423178838 566480319 /nfs/dbraw/zinc/48/03/19/566480319.db2.gz ISXHEOOHYABTCG-KXBFYZLASA-N 1 3 380.374 3.391 20 0 GGADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)c(Br)c1 ZINC000423164829 566481010 /nfs/dbraw/zinc/48/10/10/566481010.db2.gz SYEWOQJUQLZYEZ-ILRDRHFLSA-N 1 3 399.348 3.250 20 0 GGADHO COc1ccc([C@@H](NCCCN2CC[NH2+]CC2)C(C)C)c(Br)c1 ZINC000423191984 566481979 /nfs/dbraw/zinc/48/19/79/566481979.db2.gz UWYVGVCOSMUHKZ-SFHVURJKSA-N 1 3 384.362 3.040 20 0 GGADHO Brc1ccc([C@H](NCC[C@H]2CCC[NH2+]C2)c2cncnc2)cc1 ZINC000423259326 566484468 /nfs/dbraw/zinc/48/44/68/566484468.db2.gz NXFMCOQDPNAMCP-KDOFPFPSSA-N 1 3 375.314 3.308 20 0 GGADHO Cc1c([C@H](C)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423261951 566484534 /nfs/dbraw/zinc/48/45/34/566484534.db2.gz UBVNJXNQFZDOGW-ZFWWWQNUSA-N 1 3 392.345 3.379 20 0 GGADHO Cc1c([C@@H](C)NCC[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423261950 566484917 /nfs/dbraw/zinc/48/49/17/566484917.db2.gz UBVNJXNQFZDOGW-UKRRQHHQSA-N 1 3 392.345 3.379 20 0 GGADHO Ic1ccc2c(c1)[C@H](NCC1=CC[NH2+]CC1)CCCO2 ZINC000423345393 566486861 /nfs/dbraw/zinc/48/68/61/566486861.db2.gz NYHZNEYTYMGSLQ-OAHLLOKOSA-N 1 3 384.261 3.014 20 0 GGADHO Ic1ccc2c(c1)[C@@H](NCC1=CC[NH2+]CC1)CCCO2 ZINC000423345392 566486921 /nfs/dbraw/zinc/48/69/21/566486921.db2.gz NYHZNEYTYMGSLQ-HNNXBMFYSA-N 1 3 384.261 3.014 20 0 GGADHO Cc1cc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)sc1Br ZINC000512050879 566509345 /nfs/dbraw/zinc/50/93/45/566509345.db2.gz FGTAELLBTWPOTD-STQMWFEESA-N 1 3 388.375 3.057 20 0 GGADHO CN(C)CCN1CCC([NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449072292 566525433 /nfs/dbraw/zinc/52/54/33/566525433.db2.gz DWCYILGSSBMVHF-UHFFFAOYSA-N 1 3 391.357 3.113 20 0 GGADHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000424301174 566526927 /nfs/dbraw/zinc/52/69/27/566526927.db2.gz XJKIJVBDXNFNSP-CABCVRRESA-N 1 3 394.357 3.090 20 0 GGADHO C[C@H]1CC2(CN1CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)CC[NH2+]CC2 ZINC000424301555 566527394 /nfs/dbraw/zinc/52/73/94/566527394.db2.gz XQCSAKADAOAZBN-AWEZNQCLSA-N 1 3 384.351 3.416 20 0 GGADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000559311306 566540319 /nfs/dbraw/zinc/54/03/19/566540319.db2.gz KMKOFOQJISXLMD-SFHVURJKSA-N 1 3 380.330 3.195 20 0 GGADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000559311306 566540326 /nfs/dbraw/zinc/54/03/26/566540326.db2.gz KMKOFOQJISXLMD-SFHVURJKSA-N 1 3 380.330 3.195 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538867013 566541671 /nfs/dbraw/zinc/54/16/71/566541671.db2.gz MCZSCWXVKFNDCA-IBGZPJMESA-N 1 3 380.374 3.442 20 0 GGADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538869679 566542038 /nfs/dbraw/zinc/54/20/38/566542038.db2.gz JBODEGLPVCWSLW-IBGZPJMESA-N 1 3 380.374 3.444 20 0 GGADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCn2cc(Br)cn2)CC1 ZINC000449323486 566548004 /nfs/dbraw/zinc/54/80/04/566548004.db2.gz VPDUNJKEEAKSRQ-MRXNPFEDSA-N 1 3 391.357 3.331 20 0 GGADHO CN(C)CCOc1ccc(CC[NH2+]Cc2cncc(Br)c2)cc1 ZINC000466358431 566568409 /nfs/dbraw/zinc/56/84/09/566568409.db2.gz CHLBDKLSPRPTHK-UHFFFAOYSA-N 1 3 378.314 3.117 20 0 GGADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000449596720 566578412 /nfs/dbraw/zinc/57/84/12/566578412.db2.gz CFXMEQNLNMKVNM-LBTNJELSSA-N 1 3 387.337 3.059 20 0 GGADHO CC[N@H+]1CC[C@H](NC[C@H](CO)Cc2cc(Br)ccc2F)[C@H](C)C1 ZINC000449596720 566578415 /nfs/dbraw/zinc/57/84/15/566578415.db2.gz CFXMEQNLNMKVNM-LBTNJELSSA-N 1 3 387.337 3.059 20 0 GGADHO COc1ccc(C[C@H](CO)CNC2CC[NH+](C(C)C)CC2)cc1Br ZINC000449596845 566578922 /nfs/dbraw/zinc/57/89/22/566578922.db2.gz CKGUCPRMTZONPR-INIZCTEOSA-N 1 3 399.373 3.071 20 0 GGADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000449599468 566580358 /nfs/dbraw/zinc/58/03/58/566580358.db2.gz LASMTYSNJYIACB-RCCFBDPRSA-N 1 3 381.358 3.125 20 0 GGADHO Cc1ccc(C[C@H](CO)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000449599468 566580365 /nfs/dbraw/zinc/58/03/65/566580365.db2.gz LASMTYSNJYIACB-RCCFBDPRSA-N 1 3 381.358 3.125 20 0 GGADHO Cc1ccc(C[C@H](CO)CNC2CC[NH+](C(C)C)CC2)cc1Br ZINC000449598909 566580705 /nfs/dbraw/zinc/58/07/05/566580705.db2.gz JMUUMFQLVGHFQJ-KRWDZBQOSA-N 1 3 383.374 3.371 20 0 GGADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2ccc(OC)c(Br)c2)CC1 ZINC000449600126 566580876 /nfs/dbraw/zinc/58/08/76/566580876.db2.gz NDNXGXOAKHVVLA-MRXNPFEDSA-N 1 3 399.373 3.073 20 0 GGADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2cc(Br)ccc2F)CC1 ZINC000449601400 566582286 /nfs/dbraw/zinc/58/22/86/566582286.db2.gz RLRVQKBNGARNGR-AWEZNQCLSA-N 1 3 387.337 3.202 20 0 GGADHO C[N@H+]1CC=C(CN[C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000539507300 566585688 /nfs/dbraw/zinc/58/56/88/566585688.db2.gz LDIVRUGUKGDDSM-MRXNPFEDSA-N 1 3 398.288 3.356 20 0 GGADHO C[N@@H+]1CC=C(CN[C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000539507300 566585697 /nfs/dbraw/zinc/58/56/97/566585697.db2.gz LDIVRUGUKGDDSM-MRXNPFEDSA-N 1 3 398.288 3.356 20 0 GGADHO Cc1c(Br)cccc1C[C@@H](CO)CNC1CC[NH+](C(C)C)CC1 ZINC000449682514 566591378 /nfs/dbraw/zinc/59/13/78/566591378.db2.gz LSBLODFZJCZOHU-MRXNPFEDSA-N 1 3 383.374 3.371 20 0 GGADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2ccc(F)c(Br)c2)CC1 ZINC000449686449 566592920 /nfs/dbraw/zinc/59/29/20/566592920.db2.gz WYYYNARGHHQNQV-OAHLLOKOSA-N 1 3 387.337 3.202 20 0 GGADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCOc3ccccc3Br)C2)C1 ZINC000652349173 566603566 /nfs/dbraw/zinc/60/35/66/566603566.db2.gz DUILNJOYBQQDST-DAYGRLMNSA-N 1 3 383.330 3.046 20 0 GGADHO C[C@@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2F)[C@@H]1CC[NH3+] ZINC000652353994 566605888 /nfs/dbraw/zinc/60/58/88/566605888.db2.gz KARKIISMXPDGRG-MLGOLLRUSA-N 1 3 386.309 3.366 20 0 GGADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H]1CCN ZINC000652353994 566605893 /nfs/dbraw/zinc/60/58/93/566605893.db2.gz KARKIISMXPDGRG-MLGOLLRUSA-N 1 3 386.309 3.366 20 0 GGADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H]1CCN ZINC000652353994 566605896 /nfs/dbraw/zinc/60/58/96/566605896.db2.gz KARKIISMXPDGRG-MLGOLLRUSA-N 1 3 386.309 3.366 20 0 GGADHO Brc1cnn(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC000560580593 566640709 /nfs/dbraw/zinc/64/07/09/566640709.db2.gz KVUIMZZSTNZZAT-YTQUADARSA-N 1 3 389.341 3.146 20 0 GGADHO Brc1cnn(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000560580593 566640718 /nfs/dbraw/zinc/64/07/18/566640718.db2.gz KVUIMZZSTNZZAT-YTQUADARSA-N 1 3 389.341 3.146 20 0 GGADHO Brc1cnn(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000560580593 566640724 /nfs/dbraw/zinc/64/07/24/566640724.db2.gz KVUIMZZSTNZZAT-YTQUADARSA-N 1 3 389.341 3.146 20 0 GGADHO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000540416457 566650140 /nfs/dbraw/zinc/65/01/40/566650140.db2.gz NLZOOPRKHBPEGK-WBMJQRKESA-N 1 3 385.371 3.278 20 0 GGADHO C[C@@H](NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CC[NH+](C)CC1 ZINC000675738800 566662810 /nfs/dbraw/zinc/66/28/10/566662810.db2.gz MZSXYTWKYRBXMB-SNVBAGLBSA-N 1 3 375.826 3.221 20 0 GGADHO OC[C@H](CNC1CC[NH+](CC2CC2)CC1)Cc1ccc(F)c(Br)c1 ZINC000515594034 566722138 /nfs/dbraw/zinc/72/21/38/566722138.db2.gz DDKLTLTVSUQMTO-INIZCTEOSA-N 1 3 399.348 3.203 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccc(C[NH3+])cc1 ZINC000515650033 566725332 /nfs/dbraw/zinc/72/53/32/566725332.db2.gz HITHZEBKAMBDPB-CYBMUJFWSA-N 1 3 376.298 3.415 20 0 GGADHO C[NH+]1CCC(N2CC[C@@H](N[C@H]3CCc4c3c(Br)ccc4F)C2)CC1 ZINC000677654489 566757428 /nfs/dbraw/zinc/75/74/28/566757428.db2.gz PTUHNGNJZVXTKR-ACJLOTCBSA-N 1 3 396.348 3.334 20 0 GGADHO C[NH+]1CCC(N2CC[C@H](N[C@H]3CCc4c3c(Br)ccc4F)C2)CC1 ZINC000677654492 566758822 /nfs/dbraw/zinc/75/88/22/566758822.db2.gz PTUHNGNJZVXTKR-UGSOOPFHSA-N 1 3 396.348 3.334 20 0 GGADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc(I)cc1 ZINC000542666458 566816616 /nfs/dbraw/zinc/81/66/16/566816616.db2.gz ZSONELFVNVVRMS-AWEZNQCLSA-N 1 3 390.309 3.300 20 0 GGADHO CC[NH2+]CC1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000470003383 566837167 /nfs/dbraw/zinc/83/71/67/566837167.db2.gz QOXRYSDEEKGNBB-UHFFFAOYSA-N 1 3 377.330 3.456 20 0 GGADHO C[N@@H+]1CCCN(CCCNCc2oc3ccccc3c2Br)CC1 ZINC000655731377 566840604 /nfs/dbraw/zinc/84/06/04/566840604.db2.gz XAVCWNFJTWNKGY-UHFFFAOYSA-N 1 3 380.330 3.313 20 0 GGADHO C[N@H+]1CCCN(CCCNCc2oc3ccccc3c2Br)CC1 ZINC000655731377 566840610 /nfs/dbraw/zinc/84/06/10/566840610.db2.gz XAVCWNFJTWNKGY-UHFFFAOYSA-N 1 3 380.330 3.313 20 0 GGADHO Cc1nn(-c2cccc(Br)c2)cc1CNCC1CC[NH+](C)CC1 ZINC000655729046 566840998 /nfs/dbraw/zinc/84/09/98/566840998.db2.gz DFZOCRPWNXPJNE-UHFFFAOYSA-N 1 3 377.330 3.375 20 0 GGADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000563154558 566860451 /nfs/dbraw/zinc/86/04/51/566860451.db2.gz PSGZTOHEUFCGME-CYBMUJFWSA-N 1 3 386.323 3.009 20 0 GGADHO C[C@H]1C[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490632676 566872708 /nfs/dbraw/zinc/87/27/08/566872708.db2.gz SXSGUEIPFWJIMG-KXBFYZLASA-N 1 3 386.367 3.330 20 0 GGADHO C[C@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000490632676 566872715 /nfs/dbraw/zinc/87/27/15/566872715.db2.gz SXSGUEIPFWJIMG-KXBFYZLASA-N 1 3 386.367 3.330 20 0 GGADHO N[C@@H](CC(F)F)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000582965549 566910383 /nfs/dbraw/zinc/91/03/83/566910383.db2.gz RFOPNBPSJFSDNB-HNNXBMFYSA-N 1 3 394.293 3.400 20 0 GGADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000583217367 566930906 /nfs/dbraw/zinc/93/09/06/566930906.db2.gz XWJZJHLHEUDLFK-QLFBSQMISA-N 1 3 385.371 3.465 20 0 GGADHO CC(C)(C)N1CCC([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000429451368 566932403 /nfs/dbraw/zinc/93/24/03/566932403.db2.gz MMZXTTPZOJNTDJ-HNNXBMFYSA-N 1 3 383.374 3.453 20 0 GGADHO CC(C)(C)[NH+]1CCC(NC[C@@H](CO)Cc2ccccc2Br)CC1 ZINC000429451368 566932410 /nfs/dbraw/zinc/93/24/10/566932410.db2.gz MMZXTTPZOJNTDJ-HNNXBMFYSA-N 1 3 383.374 3.453 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000519381453 566936994 /nfs/dbraw/zinc/93/69/94/566936994.db2.gz KDGZMBXHJGHUFM-FGTMMUONSA-N 1 3 394.357 3.079 20 0 GGADHO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](N)CC(F)F ZINC000583323133 566941485 /nfs/dbraw/zinc/94/14/85/566941485.db2.gz DKYXSNQRAVIKKQ-AWEZNQCLSA-N 1 3 382.282 3.256 20 0 GGADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493843538 566956769 /nfs/dbraw/zinc/95/67/69/566956769.db2.gz LKVZZNHRXYBIHP-GOSISDBHSA-N 1 3 380.374 3.362 20 0 GGADHO Cc1cc(Br)cc2c1[C@H]([NH2+]CCCN1CCCN(C)CC1)CC2 ZINC000493975038 566965698 /nfs/dbraw/zinc/96/56/98/566965698.db2.gz DWZMGPUNMPFAHG-GOSISDBHSA-N 1 3 380.374 3.362 20 0 GGADHO C[NH+](C)Cc1cccc(CNC[C@H](O)COc2cccc(Br)c2)c1 ZINC000564565221 566986929 /nfs/dbraw/zinc/98/69/29/566986929.db2.gz SMTDOGLRWWJJRP-SFHVURJKSA-N 1 3 393.325 3.040 20 0 GGADHO O=C1CC[C@@H](N[C@H]2CCc3c2cc(Cl)cc3Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000564827700 567010735 /nfs/dbraw/zinc/01/07/35/567010735.db2.gz RPKONERUVYCSJC-SCTDSRPQSA-N 1 3 382.335 3.217 20 0 GGADHO O=C1CC[C@@H](N[C@@H]2CCc3c2cc(Cl)cc3Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000564827697 567011540 /nfs/dbraw/zinc/01/15/40/567011540.db2.gz RPKONERUVYCSJC-LMMKCTJWSA-N 1 3 382.335 3.217 20 0 GGADHO C[C@@H]([NH3+])[C@H]1CCCN(CCCOc2cccc(I)c2)C1 ZINC000430579271 567022380 /nfs/dbraw/zinc/02/23/80/567022380.db2.gz CAQGUHRVEMSCEF-KGLIPLIRSA-N 1 3 388.293 3.119 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000584286958 567029011 /nfs/dbraw/zinc/02/90/11/567029011.db2.gz OWFZJBBIPXSTLI-OAHLLOKOSA-N 1 3 382.346 3.345 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000584286958 567029017 /nfs/dbraw/zinc/02/90/17/567029017.db2.gz OWFZJBBIPXSTLI-OAHLLOKOSA-N 1 3 382.346 3.345 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000584286957 567029353 /nfs/dbraw/zinc/02/93/53/567029353.db2.gz OWFZJBBIPXSTLI-HNNXBMFYSA-N 1 3 382.346 3.345 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(Br)c2)C1 ZINC000584286957 567029356 /nfs/dbraw/zinc/02/93/56/567029356.db2.gz OWFZJBBIPXSTLI-HNNXBMFYSA-N 1 3 382.346 3.345 20 0 GGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000584345858 567034372 /nfs/dbraw/zinc/03/43/72/567034372.db2.gz FINJZPULZNBDST-HOCLYGCPSA-N 1 3 375.340 3.443 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cncc(Br)c2C)[C@H](C)C1 ZINC000657362345 567052407 /nfs/dbraw/zinc/05/24/07/567052407.db2.gz AJGGCYZRYGGOEO-RDTXWAMCSA-N 1 3 384.362 3.379 20 0 GGADHO COC(=O)c1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000584557296 567054211 /nfs/dbraw/zinc/05/42/11/567054211.db2.gz RRPRSURLZVQTMY-MRXNPFEDSA-N 1 3 395.341 3.399 20 0 GGADHO C[N@@H+]1CC[C@@H](NCCn2cc(Br)ccc2=O)C[C@H]1c1ccccc1 ZINC000453261724 567069634 /nfs/dbraw/zinc/06/96/34/567069634.db2.gz YWVCATBTASIRJC-MSOLQXFVSA-N 1 3 390.325 3.036 20 0 GGADHO C[N@H+]1CC[C@@H](NCCn2cc(Br)ccc2=O)C[C@H]1c1ccccc1 ZINC000453261724 567069641 /nfs/dbraw/zinc/06/96/41/567069641.db2.gz YWVCATBTASIRJC-MSOLQXFVSA-N 1 3 390.325 3.036 20 0 GGADHO Brc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)nc1 ZINC000657613292 567077122 /nfs/dbraw/zinc/07/71/22/567077122.db2.gz XDPKANAFPUMFEQ-UHFFFAOYSA-N 1 3 375.314 3.241 20 0 GGADHO CC(C)[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627035 567084195 /nfs/dbraw/zinc/08/41/95/567084195.db2.gz SRAYMQVXAPRMEV-HUUCEWRRSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627035 567084200 /nfs/dbraw/zinc/08/42/00/567084200.db2.gz SRAYMQVXAPRMEV-HUUCEWRRSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627035 567084209 /nfs/dbraw/zinc/08/42/09/567084209.db2.gz SRAYMQVXAPRMEV-HUUCEWRRSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627036 567084715 /nfs/dbraw/zinc/08/47/15/567084715.db2.gz SRAYMQVXAPRMEV-LSDHHAIUSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627036 567084724 /nfs/dbraw/zinc/08/47/24/567084724.db2.gz SRAYMQVXAPRMEV-LSDHHAIUSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000565627036 567084730 /nfs/dbraw/zinc/08/47/30/567084730.db2.gz SRAYMQVXAPRMEV-LSDHHAIUSA-N 1 3 382.346 3.486 20 0 GGADHO C[NH+]1CCC(N2CC[C@H](NCc3cc(Br)c(Cl)s3)C2)CC1 ZINC000682942960 567087180 /nfs/dbraw/zinc/08/71/80/567087180.db2.gz SPENRYGUSUZZGA-NSHDSACASA-N 1 3 392.794 3.422 20 0 GGADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453404737 567087556 /nfs/dbraw/zinc/08/75/56/567087556.db2.gz PPWYOOCVYDVBLK-LLVKDONJSA-N 1 3 394.368 3.166 20 0 GGADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000453404737 567087564 /nfs/dbraw/zinc/08/75/64/567087564.db2.gz PPWYOOCVYDVBLK-LLVKDONJSA-N 1 3 394.368 3.166 20 0 GGADHO C[NH+]1CCC(N2CC[C@@H](NCc3cc(Br)c(Cl)s3)C2)CC1 ZINC000682942955 567088114 /nfs/dbraw/zinc/08/81/14/567088114.db2.gz SPENRYGUSUZZGA-LLVKDONJSA-N 1 3 392.794 3.422 20 0 GGADHO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCN(CC)CC1 ZINC000657832481 567098846 /nfs/dbraw/zinc/09/88/46/567098846.db2.gz DRHSMMMBVVINSX-IBGZPJMESA-N 1 3 382.390 3.387 20 0 GGADHO Brc1ccc(-c2nccc(CN3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000565950793 567113219 /nfs/dbraw/zinc/11/32/19/567113219.db2.gz JWHUSLQRSFNUNY-UHFFFAOYSA-N 1 3 387.325 3.482 20 0 GGADHO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000658003837 567114295 /nfs/dbraw/zinc/11/42/95/567114295.db2.gz USKMMPOFYXTUNR-SFHVURJKSA-N 1 3 382.390 3.386 20 0 GGADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000474011911 567123690 /nfs/dbraw/zinc/12/36/90/567123690.db2.gz RDICIVOASWVLKO-INIZCTEOSA-N 1 3 396.373 3.107 20 0 GGADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000566245414 567142217 /nfs/dbraw/zinc/14/22/17/567142217.db2.gz QSOWUFCSBDIARL-CWRNSKLLSA-N 1 3 384.351 3.492 20 0 GGADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)c(Cl)c1 ZINC000566245413 567142550 /nfs/dbraw/zinc/14/25/50/567142550.db2.gz QSOWUFCSBDIARL-BPUTZDHNSA-N 1 3 384.351 3.492 20 0 GGADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000566700639 567181408 /nfs/dbraw/zinc/18/14/08/567181408.db2.gz AISGTQBFKKMNBQ-CQSZACIVSA-N 1 3 386.353 3.135 20 0 GGADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000615462739 567184153 /nfs/dbraw/zinc/18/41/53/567184153.db2.gz GHUZBIVGNYTYRF-HNNXBMFYSA-N 1 3 375.340 3.397 20 0 GGADHO C[C@H](CCc1ccc(I)cc1)[NH2+]CC1=CCN(C)CC1 ZINC000474881129 567206894 /nfs/dbraw/zinc/20/68/94/567206894.db2.gz PYYUHNAUQIKUDK-CQSZACIVSA-N 1 3 384.305 3.464 20 0 GGADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccc(Br)cc1 ZINC000567160390 567222840 /nfs/dbraw/zinc/22/28/40/567222840.db2.gz FPSRETZJXOAYRH-GOSISDBHSA-N 1 3 397.357 3.185 20 0 GGADHO C[NH2+]C[C@@H](C)NC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000659645535 567223328 /nfs/dbraw/zinc/22/33/28/567223328.db2.gz JXJQUKYHOHDZIB-CQSZACIVSA-N 1 3 387.355 3.209 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000567159504 567223393 /nfs/dbraw/zinc/22/33/93/567223393.db2.gz OYCJUUDAWXBUES-OKZBNKHCSA-N 1 3 394.357 3.079 20 0 GGADHO O[C@@H](C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)CN1CCCC1 ZINC000567307642 567234594 /nfs/dbraw/zinc/23/45/94/567234594.db2.gz OAMONHRGHVLORG-KBXCAEBGSA-N 1 3 392.341 3.354 20 0 GGADHO C[NH+]1CCC(O)(CNCc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000525401286 567247239 /nfs/dbraw/zinc/24/72/39/567247239.db2.gz NOXJOZWPNNQCEC-UHFFFAOYSA-N 1 3 379.298 3.255 20 0 GGADHO C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1c(Cl)cccc1Cl ZINC000525447306 567249629 /nfs/dbraw/zinc/24/96/29/567249629.db2.gz ZERWBAXSIOJAOK-AWEZNQCLSA-N 1 3 389.371 3.232 20 0 GGADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c(Cl)cccc1Cl ZINC000499518505 567254500 /nfs/dbraw/zinc/25/45/00/567254500.db2.gz HMXCFHZCAQZUDQ-OAHLLOKOSA-N 1 3 386.367 3.410 20 0 GGADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c(Cl)cccc1Cl ZINC000499518505 567254504 /nfs/dbraw/zinc/25/45/04/567254504.db2.gz HMXCFHZCAQZUDQ-OAHLLOKOSA-N 1 3 386.367 3.410 20 0 GGADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1Br ZINC000638734698 567266241 /nfs/dbraw/zinc/26/62/41/567266241.db2.gz MOFXKFWEMMDZAF-AWEZNQCLSA-N 1 3 385.346 3.041 20 0 GGADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccc(Br)cc1 ZINC000638699999 567266259 /nfs/dbraw/zinc/26/62/59/567266259.db2.gz UZMCFTQVXLCSMH-CQSZACIVSA-N 1 3 385.346 3.041 20 0 GGADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000567681648 567266654 /nfs/dbraw/zinc/26/66/54/567266654.db2.gz XWIXNWSGYYWQSJ-HOCLYGCPSA-N 1 3 375.340 3.443 20 0 GGADHO [NH3+]Cc1ccc(CNCc2ccc(Br)cc2N2CCOCC2)cc1 ZINC000567870469 567284748 /nfs/dbraw/zinc/28/47/48/567284748.db2.gz CLGVTMOWXCAKTD-UHFFFAOYSA-N 1 3 390.325 3.034 20 0 GGADHO Clc1ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(I)c1 ZINC000592471102 567340502 /nfs/dbraw/zinc/34/05/02/567340502.db2.gz YAOLLPDHDHOIBJ-MPKXVKKWSA-N 1 3 390.696 3.422 20 0 GGADHO Clc1ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(I)c1 ZINC000592471103 567342548 /nfs/dbraw/zinc/34/25/48/567342548.db2.gz YAOLLPDHDHOIBJ-SCDSUCTJSA-N 1 3 390.696 3.422 20 0 GGADHO [NH3+][C@@H]1CCC[C@H](CN[C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000568749483 567353689 /nfs/dbraw/zinc/35/36/89/567353689.db2.gz YGGZMGCVDCSBBG-MORSLUCNSA-N 1 3 375.314 3.436 20 0 GGADHO Fc1cc(Br)cnc1CNCC1CCN(c2cc[nH+]cc2)CC1 ZINC000527681429 567360510 /nfs/dbraw/zinc/36/05/10/567360510.db2.gz AMPKDFLDWSHLHO-UHFFFAOYSA-N 1 3 379.277 3.384 20 0 GGADHO CN(C)CC[NH+]1CCC(CNCc2c(F)ccc(Br)c2F)CC1 ZINC000501402477 567385903 /nfs/dbraw/zinc/38/59/03/567385903.db2.gz ZVJLRZGJTFQQKD-UHFFFAOYSA-N 1 3 390.316 3.091 20 0 GGADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000501469672 567390842 /nfs/dbraw/zinc/39/08/42/567390842.db2.gz WDAVZAHIQUMOMU-HZMBPMFUSA-N 1 3 378.685 3.374 20 0 GGADHO O=C(NC[C@@H]1CCCN(CCSc2cccc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000662263750 567422173 /nfs/dbraw/zinc/42/21/73/567422173.db2.gz DSNZEOXRMNVBMH-MAUKXSAKSA-N 1 3 381.973 3.012 20 0 GGADHO C[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2Br)[C@@H]1CCC[NH3+] ZINC000662315513 567427135 /nfs/dbraw/zinc/42/71/35/567427135.db2.gz SAWKBGZKSWKGBS-CRAIPNDOSA-N 1 3 396.373 3.247 20 0 GGADHO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2c(s1)CCNC2 ZINC000662426476 567435091 /nfs/dbraw/zinc/43/50/91/567435091.db2.gz RWWURNBWWFQQRC-AWEZNQCLSA-N 1 3 375.563 3.097 20 0 GGADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2c(s1)CCNC2 ZINC000662426476 567435094 /nfs/dbraw/zinc/43/50/94/567435094.db2.gz RWWURNBWWFQQRC-AWEZNQCLSA-N 1 3 375.563 3.097 20 0 GGADHO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc2c(s1)CCNC2 ZINC000662504425 567443084 /nfs/dbraw/zinc/44/30/84/567443084.db2.gz GNYWRFAOHGATQI-UHFFFAOYSA-N 1 3 377.941 3.251 20 0 GGADHO C[N@H+](C[C@@H](O)CNCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)C1CC1 ZINC000570325536 567476316 /nfs/dbraw/zinc/47/63/16/567476316.db2.gz YMQKKVFYHTYRGB-AWEZNQCLSA-N 1 3 376.850 3.435 20 0 GGADHO C[N@@H+](C[C@@H](O)CNCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)C1CC1 ZINC000570325536 567476318 /nfs/dbraw/zinc/47/63/18/567476318.db2.gz YMQKKVFYHTYRGB-AWEZNQCLSA-N 1 3 376.850 3.435 20 0 GGADHO CN1CCCN(CCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479062323 567498900 /nfs/dbraw/zinc/49/89/00/567498900.db2.gz OUNHYFLXGXDMCW-LJQANCHMSA-N 1 3 380.374 3.444 20 0 GGADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479339323 567526656 /nfs/dbraw/zinc/52/66/56/567526656.db2.gz XNXFVXXJBIJAND-LJQANCHMSA-N 1 3 380.374 3.442 20 0 GGADHO Ic1ccc2c(c1)[C@@H](NC1CC[NH+](C3CC3)CC1)CC2 ZINC000595003435 567533836 /nfs/dbraw/zinc/53/38/36/567533836.db2.gz GPXDFZYGDRQITN-KRWDZBQOSA-N 1 3 382.289 3.495 20 0 GGADHO Ic1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000595008522 567533966 /nfs/dbraw/zinc/53/39/66/567533966.db2.gz UTWRFRZZEJBLGD-YVEFUNNKSA-N 1 3 382.289 3.352 20 0 GGADHO Ic1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000595008522 567533967 /nfs/dbraw/zinc/53/39/67/567533967.db2.gz UTWRFRZZEJBLGD-YVEFUNNKSA-N 1 3 382.289 3.352 20 0 GGADHO O[C@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)COCc1cccs1 ZINC000644532491 567556956 /nfs/dbraw/zinc/55/69/56/567556956.db2.gz WAWHAXRMFFCTFZ-QGZVFWFLSA-N 1 3 380.579 3.189 20 0 GGADHO C[C@H](CC[NH2+]C[C@H](O)COc1ccc(Br)cc1)N1CCCCC1 ZINC000644621029 567565045 /nfs/dbraw/zinc/56/50/45/567565045.db2.gz NULYSOSDCLYUII-WBVHZDCISA-N 1 3 385.346 3.043 20 0 GGADHO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(Br)cc1)N1CCCCC1 ZINC000644621026 567565061 /nfs/dbraw/zinc/56/50/61/567565061.db2.gz NULYSOSDCLYUII-DOTOQJQBSA-N 1 3 385.346 3.043 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(Br)cc1C ZINC000505791554 567596795 /nfs/dbraw/zinc/59/67/95/567596795.db2.gz YFSDJYIBNNHUBM-KRWDZBQOSA-N 1 3 396.373 3.246 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(Br)cc1C ZINC000505791554 567596802 /nfs/dbraw/zinc/59/68/02/567596802.db2.gz YFSDJYIBNNHUBM-KRWDZBQOSA-N 1 3 396.373 3.246 20 0 GGADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(Cl)ccc1Cl ZINC000505789903 567597220 /nfs/dbraw/zinc/59/72/20/567597220.db2.gz NOKDDQXBTLHXSN-KRWDZBQOSA-N 1 3 386.367 3.410 20 0 GGADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(Cl)ccc1Cl ZINC000505789903 567597223 /nfs/dbraw/zinc/59/72/23/567597223.db2.gz NOKDDQXBTLHXSN-KRWDZBQOSA-N 1 3 386.367 3.410 20 0 GGADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc(Br)c4C3)C2)CC1 ZINC000645155426 567608257 /nfs/dbraw/zinc/60/82/57/567608257.db2.gz VPKKIEIOESISCV-IAGOWNOFSA-N 1 3 392.385 3.065 20 0 GGADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4cccc(Br)c4C3)C2)CC1 ZINC000645155412 567608903 /nfs/dbraw/zinc/60/89/03/567608903.db2.gz VPKKIEIOESISCV-DLBZAZTESA-N 1 3 392.385 3.065 20 0 GGADHO Brc1cccc(OCC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459372384 567619143 /nfs/dbraw/zinc/61/91/43/567619143.db2.gz KVKBMMJNPPCZRV-UHFFFAOYSA-N 1 3 376.298 3.482 20 0 GGADHO C[N@@H+]1CCC[C@H](CCNCc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000459730182 567656441 /nfs/dbraw/zinc/65/64/41/567656441.db2.gz JXUQTHIIRSCQOA-CQSZACIVSA-N 1 3 383.330 3.432 20 0 GGADHO C[N@H+]1CCC[C@H](CCNCc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000459730182 567656445 /nfs/dbraw/zinc/65/64/45/567656445.db2.gz JXUQTHIIRSCQOA-CQSZACIVSA-N 1 3 383.330 3.432 20 0 GGADHO CN1CCN(CC[NH2+]Cc2cc(Br)c(Cl)s2)CC1(C)C ZINC000441334979 567661325 /nfs/dbraw/zinc/66/13/25/567661325.db2.gz PCTLVNUFNAHQEB-UHFFFAOYSA-N 1 3 380.783 3.280 20 0 GGADHO C[C@@H](CNCC(=O)NCC[NH+]1CCCCCC1)c1cccc(Br)c1 ZINC000572787764 567665635 /nfs/dbraw/zinc/66/56/35/567665635.db2.gz ZSLVFRDRKWFLKR-INIZCTEOSA-N 1 3 396.373 3.134 20 0 GGADHO C[C@H](CNCC(=O)NCC[NH+]1CCCCCC1)c1cccc(Br)c1 ZINC000572787765 567666348 /nfs/dbraw/zinc/66/63/48/567666348.db2.gz ZSLVFRDRKWFLKR-MRXNPFEDSA-N 1 3 396.373 3.134 20 0 GGADHO CSc1cc(Br)ccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000531610403 567669202 /nfs/dbraw/zinc/66/92/02/567669202.db2.gz SIENIXVURMCOMZ-UHFFFAOYSA-N 1 3 387.387 3.496 20 0 GGADHO CN1CCN(CC[NH2+]C2CC(c3cccc(Br)c3)C2)CC1(C)C ZINC000442869352 567714974 /nfs/dbraw/zinc/71/49/74/567714974.db2.gz PMQXDEYPUIEQOF-UHFFFAOYSA-N 1 3 380.374 3.311 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995107 567716738 /nfs/dbraw/zinc/71/67/38/567716738.db2.gz DKAPXLFLSAWQEZ-CZUORRHYSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995107 567716744 /nfs/dbraw/zinc/71/67/44/567716744.db2.gz DKAPXLFLSAWQEZ-CZUORRHYSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995108 567717030 /nfs/dbraw/zinc/71/70/30/567717030.db2.gz DKAPXLFLSAWQEZ-XJKSGUPXSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995108 567717038 /nfs/dbraw/zinc/71/70/38/567717038.db2.gz DKAPXLFLSAWQEZ-XJKSGUPXSA-N 1 3 380.330 3.431 20 0 GGADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)cc1 ZINC000532508900 567719628 /nfs/dbraw/zinc/71/96/28/567719628.db2.gz SXMACHUQPAUHBW-CQSZACIVSA-N 1 3 382.346 3.042 20 0 GGADHO CC1CC[NH+](CCCNCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000554597338 567737249 /nfs/dbraw/zinc/73/72/49/567737249.db2.gz DLQRMUGEYQJOBW-UHFFFAOYSA-N 1 3 382.346 3.489 20 0 GGADHO CC1CCN(CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000554597338 567737255 /nfs/dbraw/zinc/73/72/55/567737255.db2.gz DLQRMUGEYQJOBW-UHFFFAOYSA-N 1 3 382.346 3.489 20 0 GGADHO CC(C)[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000574080948 567754959 /nfs/dbraw/zinc/75/49/59/567754959.db2.gz BEUDSJZDZYHKMP-HUUCEWRRSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)[N@H+]1CC[C@H](CN[C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000574080948 567754963 /nfs/dbraw/zinc/75/49/63/567754963.db2.gz BEUDSJZDZYHKMP-HUUCEWRRSA-N 1 3 382.346 3.486 20 0 GGADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000574080948 567754968 /nfs/dbraw/zinc/75/49/68/567754968.db2.gz BEUDSJZDZYHKMP-HUUCEWRRSA-N 1 3 382.346 3.486 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121223 567760465 /nfs/dbraw/zinc/76/04/65/567760465.db2.gz QFPJQJPQYNMWFY-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121223 567760466 /nfs/dbraw/zinc/76/04/66/567760466.db2.gz QFPJQJPQYNMWFY-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121223 567760469 /nfs/dbraw/zinc/76/04/69/567760469.db2.gz QFPJQJPQYNMWFY-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119668 567760503 /nfs/dbraw/zinc/76/05/03/567760503.db2.gz GVFOFJHQDFXRSL-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624119668 567760505 /nfs/dbraw/zinc/76/05/05/567760505.db2.gz GVFOFJHQDFXRSL-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119668 567760507 /nfs/dbraw/zinc/76/05/07/567760507.db2.gz GVFOFJHQDFXRSL-CABCVRRESA-N 1 3 382.346 3.488 20 0 GGADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Br)c1Cl ZINC000555035509 567764260 /nfs/dbraw/zinc/76/42/60/567764260.db2.gz BLGUUCFCEHAWCA-UHFFFAOYSA-N 1 3 391.741 3.060 20 0 GGADHO CN1CCN(CCCC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000574724336 567793746 /nfs/dbraw/zinc/79/37/46/567793746.db2.gz JFOPHXPBZKLPLI-FQEVSTJZSA-N 1 3 394.401 3.387 20 0 GGADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000574912203 567803993 /nfs/dbraw/zinc/80/39/93/567803993.db2.gz UMPJRAYTGPDBEL-MRXNPFEDSA-N 1 3 375.340 3.443 20 0 GGADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000574912202 567804061 /nfs/dbraw/zinc/80/40/61/567804061.db2.gz UMPJRAYTGPDBEL-INIZCTEOSA-N 1 3 375.340 3.443 20 0 GGADHO C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736829055 598509515 /nfs/dbraw/zinc/50/95/15/598509515.db2.gz VURCHODSTYDUFY-UHFFFAOYSA-N 1 3 376.508 3.211 20 0 GGADHO C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736829055 598509517 /nfs/dbraw/zinc/50/95/17/598509517.db2.gz VURCHODSTYDUFY-UHFFFAOYSA-N 1 3 376.508 3.211 20 0 GGADHO C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736829055 598509520 /nfs/dbraw/zinc/50/95/20/598509520.db2.gz VURCHODSTYDUFY-UHFFFAOYSA-N 1 3 376.508 3.211 20 0 GGADHO C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736829055 598509521 /nfs/dbraw/zinc/50/95/21/598509521.db2.gz VURCHODSTYDUFY-UHFFFAOYSA-N 1 3 376.508 3.211 20 0 GGADHO C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736828981 598509980 /nfs/dbraw/zinc/50/99/80/598509980.db2.gz UCADZAQVPRKLRM-UHFFFAOYSA-N 1 3 376.508 3.211 20 0 GGADHO C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736828981 598509982 /nfs/dbraw/zinc/50/99/82/598509982.db2.gz UCADZAQVPRKLRM-UHFFFAOYSA-N 1 3 376.508 3.211 20 0 GGADHO C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736828981 598509984 /nfs/dbraw/zinc/50/99/84/598509984.db2.gz UCADZAQVPRKLRM-UHFFFAOYSA-N 1 3 376.508 3.211 20 0 GGADHO C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736828981 598509986 /nfs/dbraw/zinc/50/99/86/598509986.db2.gz UCADZAQVPRKLRM-UHFFFAOYSA-N 1 3 376.508 3.211 20 0 GGADHO C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CCN(CCCC(=O)[O-])CC2)C1 ZINC000833614397 605218888 /nfs/dbraw/zinc/21/88/88/605218888.db2.gz LZAODAYSCDQJME-IBGZPJMESA-N 1 3 387.568 3.337 20 0 GGADHO C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCN(CCCC(=O)[O-])CC2)C1 ZINC000833614397 605218892 /nfs/dbraw/zinc/21/88/92/605218892.db2.gz LZAODAYSCDQJME-IBGZPJMESA-N 1 3 387.568 3.337 20 0 GGADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1 ZINC000833615328 605219478 /nfs/dbraw/zinc/21/94/78/605219478.db2.gz MQYIVGBGBZMLJN-IBGZPJMESA-N 1 3 387.568 3.480 20 0 GGADHO C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)cc1 ZINC000833615328 605219480 /nfs/dbraw/zinc/21/94/80/605219480.db2.gz MQYIVGBGBZMLJN-IBGZPJMESA-N 1 3 387.568 3.480 20 0 GGADHO C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCN(CCCC(=O)[O-])CC3)cc2)C1 ZINC000833612628 605219586 /nfs/dbraw/zinc/21/95/86/605219586.db2.gz AXKUEXHCWBAVGI-IBGZPJMESA-N 1 3 387.568 3.337 20 0 GGADHO C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCN(CCCC(=O)[O-])CC3)cc2)C1 ZINC000833612628 605219587 /nfs/dbraw/zinc/21/95/87/605219587.db2.gz AXKUEXHCWBAVGI-IBGZPJMESA-N 1 3 387.568 3.337 20 0 GGADHO O=C([O-])CCCN1CCC([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000833774065 605223268 /nfs/dbraw/zinc/22/32/68/605223268.db2.gz WREDTSIPRMFQPW-UHFFFAOYSA-N 1 3 387.568 3.481 20 0 GGADHO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824882898 607812425 /nfs/dbraw/zinc/81/24/25/607812425.db2.gz DFQBDKJKLAEPIT-XLIONFOSSA-N 1 3 376.508 3.257 20 0 GGADHO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[N@H+]1Cc1ccccc1 ZINC000824882898 607812426 /nfs/dbraw/zinc/81/24/26/607812426.db2.gz DFQBDKJKLAEPIT-XLIONFOSSA-N 1 3 376.508 3.257 20 0 GGADHO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000824882898 607812427 /nfs/dbraw/zinc/81/24/27/607812427.db2.gz DFQBDKJKLAEPIT-XLIONFOSSA-N 1 3 376.508 3.257 20 0 GGADHO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C[N@H+]1Cc1ccccc1 ZINC000824882898 607812428 /nfs/dbraw/zinc/81/24/28/607812428.db2.gz DFQBDKJKLAEPIT-XLIONFOSSA-N 1 3 376.508 3.257 20 0 GGADHO C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000825918747 608207570 /nfs/dbraw/zinc/20/75/70/608207570.db2.gz LKWBJPKGOFFKKJ-UHFFFAOYSA-N 1 3 395.486 3.139 20 0 GGADHO C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000825918747 608207571 /nfs/dbraw/zinc/20/75/71/608207571.db2.gz LKWBJPKGOFFKKJ-UHFFFAOYSA-N 1 3 395.486 3.139 20 0 GGADHO C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000825918747 608207572 /nfs/dbraw/zinc/20/75/72/608207572.db2.gz LKWBJPKGOFFKKJ-UHFFFAOYSA-N 1 3 395.486 3.139 20 0 GGADHO C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000825918747 608207573 /nfs/dbraw/zinc/20/75/73/608207573.db2.gz LKWBJPKGOFFKKJ-UHFFFAOYSA-N 1 3 395.486 3.139 20 0 GGADHO CC[N@H+](CCC1CC[NH+](CCOc2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419199 608211878 /nfs/dbraw/zinc/21/18/78/608211878.db2.gz KOJOWDYKCLLKAU-UHFFFAOYSA-N 1 3 398.555 3.080 20 0 GGADHO CC[N@@H+](CCC1CC[NH+](CCOc2ccc(-c3nn[n-]n3)cc2)CC1)CC1CC1 ZINC000825419199 608211880 /nfs/dbraw/zinc/21/18/80/608211880.db2.gz KOJOWDYKCLLKAU-UHFFFAOYSA-N 1 3 398.555 3.080 20 0 GGADHO C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000825980516 608675532 /nfs/dbraw/zinc/67/55/32/608675532.db2.gz BZEPRCLECPAMLU-UHFFFAOYSA-N 1 3 382.537 3.272 20 0 GGADHO C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000825980516 608675534 /nfs/dbraw/zinc/67/55/34/608675534.db2.gz BZEPRCLECPAMLU-UHFFFAOYSA-N 1 3 382.537 3.272 20 0 GGADHO CN(CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000053751237 1406503597 /nfs/dbraw/zinc/50/35/97/1406503597.db2.gz BVOKOUCYFABHDB-UHFFFAOYSA-N 1 3 380.536 3.082 20 0 GGADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000054720620 1406813041 /nfs/dbraw/zinc/81/30/41/1406813041.db2.gz ZDHBVNLWLZRABM-FPOVZHCZSA-N 1 3 384.568 3.482 20 0 GGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000054720575 1406813077 /nfs/dbraw/zinc/81/30/77/1406813077.db2.gz IXJRVPZRXBVAQW-GCJKJVERSA-N 1 3 380.536 3.383 20 0 GGADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCN(C)Cc1ccccc1 ZINC000054764651 1406820768 /nfs/dbraw/zinc/82/07/68/1406820768.db2.gz MUBDMRUYFMTOMX-UHFFFAOYSA-N 1 3 382.552 3.458 20 0 GGADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCN(C)Cc1ccccc1 ZINC000054764651 1406820772 /nfs/dbraw/zinc/82/07/72/1406820772.db2.gz MUBDMRUYFMTOMX-UHFFFAOYSA-N 1 3 382.552 3.458 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)NC[C@H](C)[NH+]3CCCCC3)c(C)c2)CC1 ZINC000056562978 1407362804 /nfs/dbraw/zinc/36/28/04/1407362804.db2.gz NKJGRAUWNXTPFH-IBGZPJMESA-N 1 3 387.572 3.133 20 0 GGADHO COc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCCC2)N2CCCC2)cc1 ZINC000047748202 1404919548 /nfs/dbraw/zinc/91/95/48/1404919548.db2.gz XWAMXXTVUQRJPF-HXUWFJFHSA-N 1 3 388.556 3.006 20 0 GGADHO C[NH+](C)CCOc1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000048710059 1405264059 /nfs/dbraw/zinc/26/40/59/1405264059.db2.gz SFVFMHZQIVETAD-UHFFFAOYSA-N 1 3 376.884 3.341 20 0 GGADHO COc1ccc(-c2n[nH]cc2CNCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000048717291 1405267033 /nfs/dbraw/zinc/26/70/33/1405267033.db2.gz YFELIMYXWYCHRB-UHFFFAOYSA-N 1 3 380.492 3.316 20 0 GGADHO CC(=O)Nc1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000048745826 1405280193 /nfs/dbraw/zinc/28/01/93/1405280193.db2.gz DEWCCMRCZCWHQA-UHFFFAOYSA-N 1 3 394.563 3.333 20 0 GGADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCN(C2CCCC2)CC1 ZINC000050137028 1405496850 /nfs/dbraw/zinc/49/68/50/1405496850.db2.gz DIVVDUIEOLAJDZ-GOSISDBHSA-N 1 3 390.597 3.230 20 0 GGADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCN(C2CCCC2)CC1 ZINC000050137028 1405496853 /nfs/dbraw/zinc/49/68/53/1405496853.db2.gz DIVVDUIEOLAJDZ-GOSISDBHSA-N 1 3 390.597 3.230 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Oc4cccnc4)cc3)CC2)CC1 ZINC000050796922 1405655269 /nfs/dbraw/zinc/65/52/69/1405655269.db2.gz LCLSHOLCJXKICW-UHFFFAOYSA-N 1 3 394.519 3.162 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3ccc(Cl)cc3)CC2)CC1 ZINC000050797335 1405655470 /nfs/dbraw/zinc/65/54/70/1405655470.db2.gz GBXXIKWFAFBKRO-UHFFFAOYSA-N 1 3 377.960 3.292 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccccc4F)CCCC3)CC2)CC1 ZINC000050798702 1405657177 /nfs/dbraw/zinc/65/71/77/1405657177.db2.gz ZQLZNTXLNSGXHJ-UHFFFAOYSA-N 1 3 387.543 3.312 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC000050797840 1405657457 /nfs/dbraw/zinc/65/74/57/1405657457.db2.gz PIBUHTFDLNBWNB-LSDHHAIUSA-N 1 3 375.479 3.030 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3c3ccccc3Cl)CC2)CC1 ZINC000050800005 1405657984 /nfs/dbraw/zinc/65/79/84/1405657984.db2.gz MQVIZEVMORRNGE-OALUTQOASA-N 1 3 375.944 3.118 20 0 GGADHO CC(C)CCOc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801801 1405660253 /nfs/dbraw/zinc/66/02/53/1405660253.db2.gz UKHPSDTWYKJKMK-UHFFFAOYSA-N 1 3 387.568 3.400 20 0 GGADHO CN1CCC([NH+]2CCC(NCc3cnn(-c4ccc(Cl)cc4)c3)CC2)CC1 ZINC000051189659 1405741214 /nfs/dbraw/zinc/74/12/14/1405741214.db2.gz XQWKPGCCGOFUFS-UHFFFAOYSA-N 1 3 387.959 3.174 20 0 GGADHO COc1cc(Cl)c(C)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051235974 1405751853 /nfs/dbraw/zinc/75/18/53/1405751853.db2.gz CLLNYSPBXSDVJT-UHFFFAOYSA-N 1 3 394.947 3.337 20 0 GGADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1Cl ZINC000051759639 1405860461 /nfs/dbraw/zinc/86/04/61/1405860461.db2.gz HKUGXQGWXOMPAF-HNNXBMFYSA-N 1 3 378.948 3.259 20 0 GGADHO CN(Cc1ccccc1Cl)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051759775 1405860593 /nfs/dbraw/zinc/86/05/93/1405860593.db2.gz ARAHDYKESOCMBY-UHFFFAOYSA-N 1 3 378.948 3.040 20 0 GGADHO CC(C)[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051760142 1405861008 /nfs/dbraw/zinc/86/10/08/1405861008.db2.gz XLQJHDDYVDTUPI-JOCHJYFZSA-N 1 3 386.584 3.284 20 0 GGADHO CC[C@H]1c2ccsc2CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760169 1405861025 /nfs/dbraw/zinc/86/10/25/1405861025.db2.gz QZEXRJZXXYOARQ-IBGZPJMESA-N 1 3 390.597 3.326 20 0 GGADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1OC ZINC000051760846 1405861075 /nfs/dbraw/zinc/86/10/75/1405861075.db2.gz VKIGNRUHPTXXML-FQEVSTJZSA-N 1 3 388.556 3.004 20 0 GGADHO CC(C)[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051760145 1405861113 /nfs/dbraw/zinc/86/11/13/1405861113.db2.gz XLQJHDDYVDTUPI-QFIPXVFZSA-N 1 3 386.584 3.284 20 0 GGADHO CCN(Cc1cccc(Cl)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051760678 1405861163 /nfs/dbraw/zinc/86/11/63/1405861163.db2.gz ABPQKXDVNCIFKK-UHFFFAOYSA-N 1 3 392.975 3.430 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000051761541 1405861370 /nfs/dbraw/zinc/86/13/70/1405861370.db2.gz QDSBYYJXBRYGEY-NRFANRHFSA-N 1 3 388.531 3.231 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000051761538 1405861416 /nfs/dbraw/zinc/86/14/16/1405861416.db2.gz QDSBYYJXBRYGEY-OAQYLSRUSA-N 1 3 388.531 3.231 20 0 GGADHO Cc1cccc([C@@H]2CCCN2C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000051777799 1405862456 /nfs/dbraw/zinc/86/24/56/1405862456.db2.gz WLSWBMGUUYAEOZ-QFIPXVFZSA-N 1 3 384.568 3.400 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3C3CCCCC3)CC2)CC1 ZINC000051777852 1405862711 /nfs/dbraw/zinc/86/27/11/1405862711.db2.gz LDBMGKMCBYDDJQ-NRFANRHFSA-N 1 3 376.589 3.299 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N(CC3CCCCC3)C3CC3)CC2)CC1 ZINC000051777813 1405862755 /nfs/dbraw/zinc/86/27/55/1405862755.db2.gz AQAOFXGTVZIZPM-UHFFFAOYSA-N 1 3 376.589 3.299 20 0 GGADHO COc1ccc([C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000057166100 1407540618 /nfs/dbraw/zinc/54/06/18/1407540618.db2.gz DPZKGLDZBIGCKH-WIYYLYMNSA-N 1 3 388.556 3.006 20 0 GGADHO C#CCN1CCC(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000057173084 1407544401 /nfs/dbraw/zinc/54/44/01/1407544401.db2.gz FZDAHISMLKGFGB-PMACEKPBSA-N 1 3 381.564 3.126 20 0 GGADHO C#CCN1CCC(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000057172649 1407544463 /nfs/dbraw/zinc/54/44/63/1407544463.db2.gz MKBWZHIASPYNKI-WOJBJXKFSA-N 1 3 381.564 3.126 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000058467316 1407833240 /nfs/dbraw/zinc/83/32/40/1407833240.db2.gz YWTTVHYRHBBMAC-QFIPXVFZSA-N 1 3 380.536 3.253 20 0 GGADHO C[C@@H]1CN(CC2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)C[C@@H](C)O1 ZINC000060368384 1407962581 /nfs/dbraw/zinc/96/25/81/1407962581.db2.gz FMXUJBNVTLNCEO-QZTJIDSGSA-N 1 3 390.524 3.005 20 0 GGADHO Cc1cc(C)cc(C[C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000176381928 1428287087 /nfs/dbraw/zinc/28/70/87/1428287087.db2.gz PJGJYFLLSDTICW-LJQANCHMSA-N 1 3 386.584 3.092 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)N(C)C3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000061137020 1408081888 /nfs/dbraw/zinc/08/18/88/1408081888.db2.gz CXGNBBSCLGLIDN-UHFFFAOYSA-N 1 3 386.584 3.162 20 0 GGADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000176383013 1428288524 /nfs/dbraw/zinc/28/85/24/1428288524.db2.gz PKCDSXLQELQXGD-CVDCTZTESA-N 1 3 398.595 3.380 20 0 GGADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC[C@H]1c1ccccc1 ZINC000176383048 1428288645 /nfs/dbraw/zinc/28/86/45/1428288645.db2.gz PKCDSXLQELQXGD-WMZHIEFXSA-N 1 3 398.595 3.380 20 0 GGADHO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)Cc1ccccc1 ZINC000061195181 1408089557 /nfs/dbraw/zinc/08/95/57/1408089557.db2.gz BNMDWWSTEFAHCQ-PKTZIBPZSA-N 1 3 394.563 3.123 20 0 GGADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000062253171 1408225005 /nfs/dbraw/zinc/22/50/05/1408225005.db2.gz POISJXLYBLCSLS-GJZGRUSLSA-N 1 3 385.346 3.437 20 0 GGADHO S=C(NCCC[NH+]1CCCCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000063145398 1408307282 /nfs/dbraw/zinc/30/72/82/1408307282.db2.gz DMHCFPHUVBANMR-UHFFFAOYSA-N 1 3 388.625 3.381 20 0 GGADHO CC1CC[NH+](CCCNC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000063145350 1408307368 /nfs/dbraw/zinc/30/73/68/1408307368.db2.gz PDUHYOXJZPBFSR-UHFFFAOYSA-N 1 3 388.625 3.237 20 0 GGADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=S)NC2CCN(C)CC2)C1 ZINC000063149358 1408309417 /nfs/dbraw/zinc/30/94/17/1408309417.db2.gz NUKSVVAMGNHEMD-ROUUACIJSA-N 1 3 388.625 3.223 20 0 GGADHO CN(CCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000063150782 1408309914 /nfs/dbraw/zinc/30/99/14/1408309914.db2.gz UBYMIABSDLWPTR-UHFFFAOYSA-N 1 3 396.604 3.247 20 0 GGADHO CCN1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C1 ZINC000063917526 1408445460 /nfs/dbraw/zinc/44/54/60/1408445460.db2.gz GEWJLUSXUQVZNH-QGZVFWFLSA-N 1 3 384.524 3.070 20 0 GGADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)o1 ZINC000065468451 1408673492 /nfs/dbraw/zinc/67/34/92/1408673492.db2.gz UWUFKUYDWJWIAX-NRFANRHFSA-N 1 3 386.540 3.273 20 0 GGADHO Cc1ccc([C@H](CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)N(C)C)cc1 ZINC000065469871 1408673924 /nfs/dbraw/zinc/67/39/24/1408673924.db2.gz PREKYUZCCLMQGD-QFIPXVFZSA-N 1 3 398.551 3.038 20 0 GGADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[NH+]1CCC(C)CC1 ZINC000065901189 1408750827 /nfs/dbraw/zinc/75/08/27/1408750827.db2.gz VLWFQTXGXRVBTA-ICSRJNTNSA-N 1 3 375.532 3.274 20 0 GGADHO CC[NH+]1CCN(Cc2ccc(CNCc3nc4ccccc4n3C)cc2)CC1 ZINC000066973155 1408969789 /nfs/dbraw/zinc/96/97/89/1408969789.db2.gz NJTLEEJXFXKNKE-UHFFFAOYSA-N 1 3 377.536 3.001 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C[C@H](C)O1 ZINC000067453138 1409122893 /nfs/dbraw/zinc/12/28/93/1409122893.db2.gz QMBJASMWAPHQNQ-OKILXGFUSA-N 1 3 399.329 3.157 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000067671618 1409203832 /nfs/dbraw/zinc/20/38/32/1409203832.db2.gz BLFIXAPWRKUVRA-FQEVSTJZSA-N 1 3 397.563 3.390 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)N(C)C)cc1 ZINC000067705347 1409210305 /nfs/dbraw/zinc/21/03/05/1409210305.db2.gz PREKYUZCCLMQGD-JOCHJYFZSA-N 1 3 398.551 3.038 20 0 GGADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)o1 ZINC000067704804 1409210479 /nfs/dbraw/zinc/21/04/79/1409210479.db2.gz UWUFKUYDWJWIAX-OAQYLSRUSA-N 1 3 386.540 3.273 20 0 GGADHO C[NH+](C)CCOc1ccc(CNCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000067976081 1409267774 /nfs/dbraw/zinc/26/77/74/1409267774.db2.gz XQOROFWKZZUCSD-JOCHJYFZSA-N 1 3 397.519 3.034 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)cc2)CC1 ZINC000068131840 1409310662 /nfs/dbraw/zinc/31/06/62/1409310662.db2.gz JFXFWTCRDBSRSS-QHCPKHFHSA-N 1 3 398.595 3.308 20 0 GGADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(CN(C)C)cc1 ZINC000068248950 1409338907 /nfs/dbraw/zinc/33/89/07/1409338907.db2.gz UXTIYGBVILCHHV-UHFFFAOYSA-N 1 3 393.535 3.114 20 0 GGADHO CCN(C)[C@@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000068420794 1409396887 /nfs/dbraw/zinc/39/68/87/1409396887.db2.gz GFGIDQGETKSURB-JOCHJYFZSA-N 1 3 380.536 3.066 20 0 GGADHO CN(C)[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1ccccc1 ZINC000068564897 1409440096 /nfs/dbraw/zinc/44/00/96/1409440096.db2.gz MNHMMMJYUJEQKT-NRFANRHFSA-N 1 3 386.515 3.202 20 0 GGADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(N2CCOC2=O)c1 ZINC000068707067 1409472475 /nfs/dbraw/zinc/47/24/75/1409472475.db2.gz RYKFRDVEEDYKSI-QGZVFWFLSA-N 1 3 383.492 3.434 20 0 GGADHO O=C(NC1CC1)c1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000069063337 1409554789 /nfs/dbraw/zinc/55/47/89/1409554789.db2.gz VIRZCXDSQHMKTL-UHFFFAOYSA-N 1 3 393.531 3.343 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000069681336 1409674147 /nfs/dbraw/zinc/67/41/47/1409674147.db2.gz CZFWYWUJSLFMHL-MRXNPFEDSA-N 1 3 389.975 3.258 20 0 GGADHO C[C@H]1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000176720274 1428432849 /nfs/dbraw/zinc/43/28/49/1428432849.db2.gz WAMHKOVIGILPIM-RBBKRZOGSA-N 1 3 399.579 3.191 20 0 GGADHO C[C@H]1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000176720274 1428432856 /nfs/dbraw/zinc/43/28/56/1428432856.db2.gz WAMHKOVIGILPIM-RBBKRZOGSA-N 1 3 399.579 3.191 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000176720291 1428433274 /nfs/dbraw/zinc/43/32/74/1428433274.db2.gz WAMHKOVIGILPIM-IRLDBZIGSA-N 1 3 399.579 3.191 20 0 GGADHO C[C@@H]1C[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000176720291 1428433277 /nfs/dbraw/zinc/43/32/77/1428433277.db2.gz WAMHKOVIGILPIM-IRLDBZIGSA-N 1 3 399.579 3.191 20 0 GGADHO C[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)[NH+]1CCC(C)CC1 ZINC000072044423 1409840770 /nfs/dbraw/zinc/84/07/70/1409840770.db2.gz OINOHNPYLYKKOJ-QZTJIDSGSA-N 1 3 378.586 3.305 20 0 GGADHO CC[NH+](CC)CCOC1CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000072931261 1409855350 /nfs/dbraw/zinc/85/53/50/1409855350.db2.gz AAXKOKPRRLHQNS-UHFFFAOYSA-N 1 3 376.545 3.103 20 0 GGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000074833174 1409877248 /nfs/dbraw/zinc/87/72/48/1409877248.db2.gz GMTJJQWYKGQYOL-IRLDBZIGSA-N 1 3 386.584 3.225 20 0 GGADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)N(C)C)cc1 ZINC000074833174 1409877251 /nfs/dbraw/zinc/87/72/51/1409877251.db2.gz GMTJJQWYKGQYOL-IRLDBZIGSA-N 1 3 386.584 3.225 20 0 GGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000074858059 1409877945 /nfs/dbraw/zinc/87/79/45/1409877945.db2.gz ZGWHBWGOSIYBKZ-UZKOGDIHSA-N 1 3 384.568 3.195 20 0 GGADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000074858059 1409877946 /nfs/dbraw/zinc/87/79/46/1409877946.db2.gz ZGWHBWGOSIYBKZ-UZKOGDIHSA-N 1 3 384.568 3.195 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000074876233 1409878828 /nfs/dbraw/zinc/87/88/28/1409878828.db2.gz ULKHVRXDCWFDSQ-FCHUYYIVSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000074876233 1409878833 /nfs/dbraw/zinc/87/88/33/1409878833.db2.gz ULKHVRXDCWFDSQ-FCHUYYIVSA-N 1 3 386.584 3.413 20 0 GGADHO c1ccc(C[NH+]2CCC(NCc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000075810009 1409883272 /nfs/dbraw/zinc/88/32/72/1409883272.db2.gz XKPCTDISILVUCU-UHFFFAOYSA-N 1 3 379.548 3.273 20 0 GGADHO C[NH+](C)Cc1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000078322904 1409913171 /nfs/dbraw/zinc/91/31/71/1409913171.db2.gz HUUZNAWBMUOGGA-UHFFFAOYSA-N 1 3 380.536 3.166 20 0 GGADHO CC(C)C[NH+]1CCC(NC(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1 ZINC000079096393 1409956798 /nfs/dbraw/zinc/95/67/98/1409956798.db2.gz JCDOWZWHRNOVNI-UHFFFAOYSA-N 1 3 376.545 3.006 20 0 GGADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079224246 1409963502 /nfs/dbraw/zinc/96/35/02/1409963502.db2.gz WLDJTNOOUVRZKL-MSOLQXFVSA-N 1 3 376.570 3.155 20 0 GGADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000079251088 1409963917 /nfs/dbraw/zinc/96/39/17/1409963917.db2.gz TXEUFRQXTNWGKZ-MOPGFXCFSA-N 1 3 378.586 3.401 20 0 GGADHO CC[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000079256840 1409963959 /nfs/dbraw/zinc/96/39/59/1409963959.db2.gz SUZSTDZQPCXRJP-NRFANRHFSA-N 1 3 384.568 3.093 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccsc1 ZINC000079251085 1409964139 /nfs/dbraw/zinc/96/41/39/1409964139.db2.gz TXEUFRQXTNWGKZ-RBUKOAKNSA-N 1 3 378.586 3.401 20 0 GGADHO CC(C)(CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000079493655 1409978608 /nfs/dbraw/zinc/97/86/08/1409978608.db2.gz ZHAVRORVLOPIGB-NRFANRHFSA-N 1 3 384.568 3.093 20 0 GGADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000079610346 1409983775 /nfs/dbraw/zinc/98/37/75/1409983775.db2.gz AUOJQDXMYJNSRR-UHFFFAOYSA-N 1 3 386.584 3.197 20 0 GGADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000079610346 1409983795 /nfs/dbraw/zinc/98/37/95/1409983795.db2.gz AUOJQDXMYJNSRR-UHFFFAOYSA-N 1 3 386.584 3.197 20 0 GGADHO CN(C)[C@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000080056904 1409999045 /nfs/dbraw/zinc/99/90/45/1409999045.db2.gz VVACYIAQHOXPEH-HRTMPFAESA-N 1 3 386.584 3.256 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000080056907 1409999225 /nfs/dbraw/zinc/99/92/25/1409999225.db2.gz VVACYIAQHOXPEH-LZBANZJXSA-N 1 3 386.584 3.256 20 0 GGADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080057101 1409999536 /nfs/dbraw/zinc/99/95/36/1409999536.db2.gz FQRYZYBTJVEZAW-ORFBVSJDSA-N 1 3 384.568 3.357 20 0 GGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000080657275 1410008896 /nfs/dbraw/zinc/00/88/96/1410008896.db2.gz ZWCNFVMCVMQIJJ-UNMCSNQZSA-N 1 3 384.568 3.197 20 0 GGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000080657275 1410008906 /nfs/dbraw/zinc/00/89/06/1410008906.db2.gz ZWCNFVMCVMQIJJ-UNMCSNQZSA-N 1 3 384.568 3.197 20 0 GGADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000080664481 1410010134 /nfs/dbraw/zinc/01/01/34/1410010134.db2.gz RAGHHZSJMUFBDP-UNMCSNQZSA-N 1 3 384.568 3.197 20 0 GGADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000080664481 1410010143 /nfs/dbraw/zinc/01/01/43/1410010143.db2.gz RAGHHZSJMUFBDP-UNMCSNQZSA-N 1 3 384.568 3.197 20 0 GGADHO C[C@@H](c1ccncc1)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000081156067 1410015769 /nfs/dbraw/zinc/01/57/69/1410015769.db2.gz WTMSIKFUEBIGRW-IBGZPJMESA-N 1 3 380.536 3.103 20 0 GGADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000081305837 1410017005 /nfs/dbraw/zinc/01/70/05/1410017005.db2.gz PVAHFRPKLWPRLV-UHFFFAOYSA-N 1 3 375.582 3.337 20 0 GGADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000081333736 1410017479 /nfs/dbraw/zinc/01/74/79/1410017479.db2.gz AHSHVLMUEYJLDV-UXHICEINSA-N 1 3 375.532 3.228 20 0 GGADHO CN(C)CCN(Cc1cccs1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000084455698 1410036086 /nfs/dbraw/zinc/03/60/86/1410036086.db2.gz FYOILDHRDRYNAZ-UHFFFAOYSA-N 1 3 378.586 3.228 20 0 GGADHO COCCOc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090524155 1410064243 /nfs/dbraw/zinc/06/42/43/1410064243.db2.gz CQGDZTPDFOGFBP-HSQYWUDLSA-N 1 3 376.541 3.130 20 0 GGADHO CCN1CCN(c2ccccc2C[NH+]2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC000092056779 1410103244 /nfs/dbraw/zinc/10/32/44/1410103244.db2.gz JEHDEXLSEXGHKM-UHFFFAOYSA-N 1 3 398.595 3.053 20 0 GGADHO COCCOc1ccccc1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587425 1410176217 /nfs/dbraw/zinc/17/62/17/1410176217.db2.gz YBOJEDIMUHDNGB-KDURUIRLSA-N 1 3 376.541 3.033 20 0 GGADHO COCCOc1ccccc1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587425 1410176228 /nfs/dbraw/zinc/17/62/28/1410176228.db2.gz YBOJEDIMUHDNGB-KDURUIRLSA-N 1 3 376.541 3.033 20 0 GGADHO COCCOc1cccc(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587095 1410176363 /nfs/dbraw/zinc/17/63/63/1410176363.db2.gz YZEBHIDOXGYEQP-OALUTQOASA-N 1 3 376.541 3.033 20 0 GGADHO COCCOc1cccc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587095 1410176370 /nfs/dbraw/zinc/17/63/70/1410176370.db2.gz YZEBHIDOXGYEQP-OALUTQOASA-N 1 3 376.541 3.033 20 0 GGADHO CCOc1cc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000092587249 1410176435 /nfs/dbraw/zinc/17/64/35/1410176435.db2.gz IVLIKTXMDAFHOR-HDICACEKSA-N 1 3 376.541 3.415 20 0 GGADHO CCOc1cc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000092587249 1410176447 /nfs/dbraw/zinc/17/64/47/1410176447.db2.gz IVLIKTXMDAFHOR-HDICACEKSA-N 1 3 376.541 3.415 20 0 GGADHO COCCOc1cccc(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587094 1410176762 /nfs/dbraw/zinc/17/67/62/1410176762.db2.gz YZEBHIDOXGYEQP-KDURUIRLSA-N 1 3 376.541 3.033 20 0 GGADHO COCCOc1cccc(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587094 1410176771 /nfs/dbraw/zinc/17/67/71/1410176771.db2.gz YZEBHIDOXGYEQP-KDURUIRLSA-N 1 3 376.541 3.033 20 0 GGADHO COCCOc1cccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587094 1410176776 /nfs/dbraw/zinc/17/67/76/1410176776.db2.gz YZEBHIDOXGYEQP-KDURUIRLSA-N 1 3 376.541 3.033 20 0 GGADHO Cc1ccc(-c2ncc(CN3CCC(C(=O)NCC[NH+](C)C)CC3)s2)cc1 ZINC000092615903 1410180215 /nfs/dbraw/zinc/18/02/15/1410180215.db2.gz OJRMTWSUISNTRY-UHFFFAOYSA-N 1 3 386.565 3.008 20 0 GGADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000092615725 1410180343 /nfs/dbraw/zinc/18/03/43/1410180343.db2.gz GMVVMRGRJGRCRZ-UHFFFAOYSA-N 1 3 395.547 3.155 20 0 GGADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000092615651 1410180462 /nfs/dbraw/zinc/18/04/62/1410180462.db2.gz PSXAMTAJWFVTQN-UHFFFAOYSA-N 1 3 391.462 3.115 20 0 GGADHO CCn1cc(C2CC[NH+](Cc3ccccc3N3CCN(CC)CC3)CC2)cn1 ZINC000092809322 1410202816 /nfs/dbraw/zinc/20/28/16/1410202816.db2.gz RUXDHNRDZIXFPO-UHFFFAOYSA-N 1 3 381.568 3.425 20 0 GGADHO C[C@@H](C1CC1)N(C(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000092821386 1410204075 /nfs/dbraw/zinc/20/40/75/1410204075.db2.gz GORLGDOMYYVKIN-SFHVURJKSA-N 1 3 384.568 3.409 20 0 GGADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000092821371 1410204194 /nfs/dbraw/zinc/20/41/94/1410204194.db2.gz CAKZBNQYYXQGQK-QFIPXVFZSA-N 1 3 378.520 3.425 20 0 GGADHO C[C@@H](C(=O)NCc1ccccc1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820974 1410204350 /nfs/dbraw/zinc/20/43/50/1410204350.db2.gz SINWJUGWAIBLNQ-IBGZPJMESA-N 1 3 380.536 3.325 20 0 GGADHO Cc1cc(C[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1-n1cncn1 ZINC000093844193 1410275012 /nfs/dbraw/zinc/27/50/12/1410275012.db2.gz OYKKMGXMEYNCIH-BGYRXZFFSA-N 1 3 397.567 3.287 20 0 GGADHO C[C@H]1CN(CCC2CC[NH+](Cc3cn(C)nc3-c3ccncc3)CC2)C[C@H](C)O1 ZINC000093844419 1410275160 /nfs/dbraw/zinc/27/51/60/1410275160.db2.gz XEFANQODLGVPBT-OALUTQOASA-N 1 3 397.567 3.193 20 0 GGADHO COc1cccc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000093844329 1410275362 /nfs/dbraw/zinc/27/53/62/1410275362.db2.gz KXLBWFFRTCBLAI-ROUUACIJSA-N 1 3 376.541 3.415 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)C[C@H](C)O1 ZINC000093844403 1410275539 /nfs/dbraw/zinc/27/55/39/1410275539.db2.gz INMDPDDRVKAEIU-HDICACEKSA-N 1 3 383.540 3.183 20 0 GGADHO CN(C)[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000097337199 1410365988 /nfs/dbraw/zinc/36/59/88/1410365988.db2.gz VJONCTFWQRWGNJ-FGZHOGPDSA-N 1 3 380.536 3.426 20 0 GGADHO CCOc1cccc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000102008731 1410542488 /nfs/dbraw/zinc/54/24/88/1410542488.db2.gz DSKMXOCBSPGRIB-QGZVFWFLSA-N 1 3 388.556 3.004 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000102422395 1410625448 /nfs/dbraw/zinc/62/54/48/1410625448.db2.gz PXSKUTUZACSXTG-CQSZACIVSA-N 1 3 384.351 3.385 20 0 GGADHO CC1CCN([C@H](CNC(=O)NCC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000105082344 1411025944 /nfs/dbraw/zinc/02/59/44/1411025944.db2.gz VBHKUNANVGZEPP-GOSISDBHSA-N 1 3 378.586 3.162 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc4ccccc4c3)CC2)CC1 ZINC000105211175 1411042218 /nfs/dbraw/zinc/04/22/18/1411042218.db2.gz QSQYSUQJFLPHHV-UHFFFAOYSA-N 1 3 380.536 3.198 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000105273550 1411048665 /nfs/dbraw/zinc/04/86/65/1411048665.db2.gz SGSXOUCHURSEPJ-KRWDZBQOSA-N 1 3 396.526 3.158 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000105273550 1411048676 /nfs/dbraw/zinc/04/86/76/1411048676.db2.gz SGSXOUCHURSEPJ-KRWDZBQOSA-N 1 3 396.526 3.158 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000105273540 1411049042 /nfs/dbraw/zinc/04/90/42/1411049042.db2.gz RKEZGPVOZBSJII-GOSISDBHSA-N 1 3 396.526 3.158 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1 ZINC000105273540 1411049052 /nfs/dbraw/zinc/04/90/52/1411049052.db2.gz RKEZGPVOZBSJII-GOSISDBHSA-N 1 3 396.526 3.158 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000105273531 1411049472 /nfs/dbraw/zinc/04/94/72/1411049472.db2.gz QHGQBDUBOPDONS-LJQANCHMSA-N 1 3 378.536 3.019 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC000105273531 1411049480 /nfs/dbraw/zinc/04/94/80/1411049480.db2.gz QHGQBDUBOPDONS-LJQANCHMSA-N 1 3 378.536 3.019 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000105441612 1411066339 /nfs/dbraw/zinc/06/63/39/1411066339.db2.gz RKVLIMQBTZJCRU-FQEVSTJZSA-N 1 3 382.552 3.024 20 0 GGADHO Cc1ccc(-c2n[nH]cc2CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)o1 ZINC000105495567 1411072019 /nfs/dbraw/zinc/07/20/19/1411072019.db2.gz XOCFHBXUMNLTFG-UHFFFAOYSA-N 1 3 380.492 3.225 20 0 GGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106518950 1411228966 /nfs/dbraw/zinc/22/89/66/1411228966.db2.gz NHRPCOJZAOJGLB-FUHWJXTLSA-N 1 3 376.570 3.201 20 0 GGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106518950 1411228970 /nfs/dbraw/zinc/22/89/70/1411228970.db2.gz NHRPCOJZAOJGLB-FUHWJXTLSA-N 1 3 376.570 3.201 20 0 GGADHO CN(C)[C@H](CNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1)c1ccccc1 ZINC000107386463 1411369113 /nfs/dbraw/zinc/36/91/13/1411369113.db2.gz NSTMAQRYBOSNHL-OAQYLSRUSA-N 1 3 384.524 3.442 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000107700441 1411399251 /nfs/dbraw/zinc/39/92/51/1411399251.db2.gz AIGHAROAJWYMFN-VXKWHMMOSA-N 1 3 380.536 3.426 20 0 GGADHO CSc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420736 1411496741 /nfs/dbraw/zinc/49/67/41/1411496741.db2.gz CGJZFSICNUACQV-FQEVSTJZSA-N 1 3 383.561 3.396 20 0 GGADHO CSc1ccc(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420736 1411496758 /nfs/dbraw/zinc/49/67/58/1411496758.db2.gz CGJZFSICNUACQV-FQEVSTJZSA-N 1 3 383.561 3.396 20 0 GGADHO C[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCCC1)C[NH+]1CCCCC1 ZINC000108484867 1411517023 /nfs/dbraw/zinc/51/70/23/1411517023.db2.gz UNIFRGXXGNPGGL-QZTJIDSGSA-N 1 3 378.586 3.306 20 0 GGADHO CN1CCN(Cc2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000109127794 1411690305 /nfs/dbraw/zinc/69/03/05/1411690305.db2.gz WGBGOZWVIZXZNA-UHFFFAOYSA-N 1 3 392.547 3.282 20 0 GGADHO CN(C)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000109339910 1411744538 /nfs/dbraw/zinc/74/45/38/1411744538.db2.gz MUOVOAQYHMHEFD-RBBKRZOGSA-N 1 3 383.511 3.457 20 0 GGADHO CN(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000109339910 1411744541 /nfs/dbraw/zinc/74/45/41/1411744541.db2.gz MUOVOAQYHMHEFD-RBBKRZOGSA-N 1 3 383.511 3.457 20 0 GGADHO CN(CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000109343991 1411745224 /nfs/dbraw/zinc/74/52/24/1411745224.db2.gz CQJDYNJHBOQNAT-NRFANRHFSA-N 1 3 383.511 3.286 20 0 GGADHO CN(CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000109343991 1411745232 /nfs/dbraw/zinc/74/52/32/1411745232.db2.gz CQJDYNJHBOQNAT-NRFANRHFSA-N 1 3 383.511 3.286 20 0 GGADHO CCCN1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000109444043 1411764942 /nfs/dbraw/zinc/76/49/42/1411764942.db2.gz XTEZLAOGMPMVBA-RTWAWAEBSA-N 1 3 375.557 3.459 20 0 GGADHO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000111067402 1411885713 /nfs/dbraw/zinc/88/57/13/1411885713.db2.gz RMBCPAHBAJZFBP-HXUWFJFHSA-N 1 3 375.532 3.420 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000111491607 1411980423 /nfs/dbraw/zinc/98/04/23/1411980423.db2.gz VORCBEUYANAPRW-FCHUYYIVSA-N 1 3 384.568 3.181 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000111491604 1411980712 /nfs/dbraw/zinc/98/07/12/1411980712.db2.gz VORCBEUYANAPRW-YADHBBJMSA-N 1 3 384.568 3.181 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000111491602 1411981404 /nfs/dbraw/zinc/98/14/04/1411981404.db2.gz VORCBEUYANAPRW-FGZHOGPDSA-N 1 3 384.568 3.181 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)Oc3cccc(Cl)c3)CC2)CC1 ZINC000112632649 1412182393 /nfs/dbraw/zinc/18/23/93/1412182393.db2.gz PSLNPLNFCUBKFR-UHFFFAOYSA-N 1 3 393.959 3.172 20 0 GGADHO C[C@@H]1CN(CC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C[C@@H](C)O1 ZINC000112631659 1412182545 /nfs/dbraw/zinc/18/25/45/1412182545.db2.gz WVUGYDLBGNIDRB-QZTJIDSGSA-N 1 3 384.524 3.100 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000177215625 1428636397 /nfs/dbraw/zinc/63/63/97/1428636397.db2.gz HNEPDHXMJHKCQS-SYNHAJSKSA-N 1 3 395.469 3.182 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000177215625 1428636409 /nfs/dbraw/zinc/63/64/09/1428636409.db2.gz HNEPDHXMJHKCQS-SYNHAJSKSA-N 1 3 395.469 3.182 20 0 GGADHO Cc1ccc(OCc2nc(CNCCCN3CCC[N@@H+](C)CC3)cs2)cc1 ZINC000113336931 1412294235 /nfs/dbraw/zinc/29/42/35/1412294235.db2.gz YTIJWGVDUBWSSR-UHFFFAOYSA-N 1 3 388.581 3.148 20 0 GGADHO Cc1ccc(OCc2nc(CNCCCN3CCC[N@H+](C)CC3)cs2)cc1 ZINC000113336931 1412294238 /nfs/dbraw/zinc/29/42/38/1412294238.db2.gz YTIJWGVDUBWSSR-UHFFFAOYSA-N 1 3 388.581 3.148 20 0 GGADHO Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000113514811 1412311593 /nfs/dbraw/zinc/31/15/93/1412311593.db2.gz HLPNEIIPIRRSJZ-JCTONOIOSA-N 1 3 382.548 3.345 20 0 GGADHO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1)c1ccccc1 ZINC000113514811 1412311598 /nfs/dbraw/zinc/31/15/98/1412311598.db2.gz HLPNEIIPIRRSJZ-JCTONOIOSA-N 1 3 382.548 3.345 20 0 GGADHO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000115675710 1412758984 /nfs/dbraw/zinc/75/89/84/1412758984.db2.gz JKPBRGPXRMPZOO-UYAOXDASSA-N 1 3 384.568 3.133 20 0 GGADHO CC[N@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000177298194 1428677464 /nfs/dbraw/zinc/67/74/64/1428677464.db2.gz OEAGTHIJXJAXLN-KRWDZBQOSA-N 1 3 389.565 3.239 20 0 GGADHO CC[N@@H+](C)Cc1cccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000177298194 1428677467 /nfs/dbraw/zinc/67/74/67/1428677467.db2.gz OEAGTHIJXJAXLN-KRWDZBQOSA-N 1 3 389.565 3.239 20 0 GGADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)CC1 ZINC000116338904 1412851238 /nfs/dbraw/zinc/85/12/38/1412851238.db2.gz RIBBGGLYJSADHA-QGZVFWFLSA-N 1 3 389.975 3.104 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](C(C)(C)C)CC3)CC2)CC1 ZINC000116540473 1412874627 /nfs/dbraw/zinc/87/46/27/1412874627.db2.gz QPVMQIGIBODHHF-SFHVURJKSA-N 1 3 378.605 3.403 20 0 GGADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000116561212 1412877390 /nfs/dbraw/zinc/87/73/90/1412877390.db2.gz SFTWQNRUAGSJDQ-LJQANCHMSA-N 1 3 384.568 3.482 20 0 GGADHO CC(C)[NH+](CCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000177345136 1428700404 /nfs/dbraw/zinc/70/04/04/1428700404.db2.gz IPARYFNDUJLLGC-BGYRXZFFSA-N 1 3 396.620 3.026 20 0 GGADHO CC(C)[NH+](CCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)C(C)C ZINC000177345164 1428700508 /nfs/dbraw/zinc/70/05/08/1428700508.db2.gz IPARYFNDUJLLGC-WOJBJXKFSA-N 1 3 396.620 3.026 20 0 GGADHO CC[NH+](CC)Cc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000118759520 1413216587 /nfs/dbraw/zinc/21/65/87/1413216587.db2.gz HEHULGKMGITPDO-UHFFFAOYSA-N 1 3 387.568 3.180 20 0 GGADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000177383072 1428712884 /nfs/dbraw/zinc/71/28/84/1428712884.db2.gz YHAXIITYLKKIHE-UHFFFAOYSA-N 1 3 376.932 3.453 20 0 GGADHO Cc1cccc(N2CCN(CCC(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000177408618 1428723377 /nfs/dbraw/zinc/72/33/77/1428723377.db2.gz BBJONHKTBCSLCC-UHFFFAOYSA-N 1 3 398.595 3.030 20 0 GGADHO CCOc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc(Br)c1OC ZINC000119412582 1413438702 /nfs/dbraw/zinc/43/87/02/1413438702.db2.gz SCMRVJMLUWFWOZ-CYBMUJFWSA-N 1 3 383.330 3.430 20 0 GGADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@@H](N)c1ccccc1 ZINC000119422275 1413442066 /nfs/dbraw/zinc/44/20/66/1413442066.db2.gz QDQZRZUYKPQWOT-GOSISDBHSA-N 1 3 379.508 3.407 20 0 GGADHO CCN1CCN(CCC[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)CC1 ZINC000119604950 1413501597 /nfs/dbraw/zinc/50/15/97/1413501597.db2.gz YDMRXWBAHODODU-UHFFFAOYSA-N 1 3 396.579 3.395 20 0 GGADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H](N)c3ccccc3)cc2F)CC1 ZINC000119644374 1413513572 /nfs/dbraw/zinc/51/35/72/1413513572.db2.gz UCTUDIHMGFRUEV-FQEVSTJZSA-N 1 3 384.499 3.385 20 0 GGADHO Clc1ccc([C@H](C[NH2+]C2CCN(CC3CC3)CC2)N2CCOCC2)cc1 ZINC000119785306 1413568226 /nfs/dbraw/zinc/56/82/26/1413568226.db2.gz RAAPFFJQYMNGDN-NRFANRHFSA-N 1 3 377.960 3.177 20 0 GGADHO C[C@H]1OCC[C@H]1[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000120122347 1413696420 /nfs/dbraw/zinc/69/64/20/1413696420.db2.gz QYHXCVLWHDOWJB-VQIMIIECSA-N 1 3 385.474 3.375 20 0 GGADHO CC[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000120179667 1413720452 /nfs/dbraw/zinc/72/04/52/1413720452.db2.gz AIZYOWLMTYLPEP-SFHVURJKSA-N 1 3 387.568 3.254 20 0 GGADHO CC(C)CCC1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000120410414 1413812027 /nfs/dbraw/zinc/81/20/27/1413812027.db2.gz KKWFNXGTVXQNRL-UHFFFAOYSA-N 1 3 378.605 3.403 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)[C@H](C)C1 ZINC000120576368 1413847281 /nfs/dbraw/zinc/84/72/81/1413847281.db2.gz NNXSESXJXIWJQJ-FCEUIQTBSA-N 1 3 390.568 3.389 20 0 GGADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000177487886 1428764342 /nfs/dbraw/zinc/76/43/42/1428764342.db2.gz CSNOEECKCQBFTD-ROUUACIJSA-N 1 3 391.531 3.366 20 0 GGADHO CC(C)N(C(=O)[C@H](C)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000177487614 1428764414 /nfs/dbraw/zinc/76/44/14/1428764414.db2.gz HMTNZGJQWMOWAF-ZCNNSNEGSA-N 1 3 381.605 3.232 20 0 GGADHO CC(C)N(C(=O)[C@H](C)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000177487614 1428764418 /nfs/dbraw/zinc/76/44/18/1428764418.db2.gz HMTNZGJQWMOWAF-ZCNNSNEGSA-N 1 3 381.605 3.232 20 0 GGADHO CC(C)N(C(=O)[C@H](C)[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000177487614 1428764422 /nfs/dbraw/zinc/76/44/22/1428764422.db2.gz HMTNZGJQWMOWAF-ZCNNSNEGSA-N 1 3 381.605 3.232 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000177487902 1428764457 /nfs/dbraw/zinc/76/44/57/1428764457.db2.gz CSNOEECKCQBFTD-QZTJIDSGSA-N 1 3 391.531 3.366 20 0 GGADHO Cc1n[nH]cc1C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000120951648 1413958024 /nfs/dbraw/zinc/95/80/24/1413958024.db2.gz HTXLRCFKGRXFBM-UHFFFAOYSA-N 1 3 395.473 3.429 20 0 GGADHO C[C@@H]1C[NH+](CCC2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)C[C@@H](C)O1 ZINC000177495628 1428769448 /nfs/dbraw/zinc/76/94/48/1428769448.db2.gz LFVSGUXGLDKNLE-RTBURBONSA-N 1 3 387.568 3.100 20 0 GGADHO C[C@H]1CN(CCC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000177499358 1428770674 /nfs/dbraw/zinc/77/06/74/1428770674.db2.gz AAKCRAFNEABPKE-OALUTQOASA-N 1 3 398.551 3.490 20 0 GGADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)C[C@H](C)O1 ZINC000177501103 1428771357 /nfs/dbraw/zinc/77/13/57/1428771357.db2.gz VYBMLSJZKHIJOX-HDICACEKSA-N 1 3 383.536 3.239 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000121108292 1414010636 /nfs/dbraw/zinc/01/06/36/1414010636.db2.gz LQEDFDYMVNKBBO-SJORKVTESA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@H](C)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000121108292 1414010641 /nfs/dbraw/zinc/01/06/41/1414010641.db2.gz LQEDFDYMVNKBBO-SJORKVTESA-N 1 3 377.529 3.133 20 0 GGADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121312163 1414080462 /nfs/dbraw/zinc/08/04/62/1414080462.db2.gz FUDVQJLULICTRO-ZLNRFVROSA-N 1 3 383.580 3.132 20 0 GGADHO CC(=O)c1cccc(OC[C@H](O)CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121751619 1414246089 /nfs/dbraw/zinc/24/60/89/1414246089.db2.gz LSYMYSVCMBSKMD-JOCHJYFZSA-N 1 3 388.552 3.217 20 0 GGADHO CN(c1ccccc1CNCc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000177558264 1428792479 /nfs/dbraw/zinc/79/24/79/1428792479.db2.gz NJNJVLFUGSFHDD-UHFFFAOYSA-N 1 3 381.520 3.278 20 0 GGADHO CCCOc1cc(F)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122200800 1414386779 /nfs/dbraw/zinc/38/67/79/1414386779.db2.gz JQOXDSGBLBZAGP-UHFFFAOYSA-N 1 3 392.519 3.295 20 0 GGADHO CSc1c(F)cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1F ZINC000122417068 1414453183 /nfs/dbraw/zinc/45/31/83/1414453183.db2.gz ZZWOWSMEWCSLOM-UHFFFAOYSA-N 1 3 398.523 3.367 20 0 GGADHO CCN1CCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000123220686 1414671518 /nfs/dbraw/zinc/67/15/18/1414671518.db2.gz FPZWCJCWAJTIOB-UHFFFAOYSA-N 1 3 397.611 3.346 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000123834032 1414831395 /nfs/dbraw/zinc/83/13/95/1414831395.db2.gz YCPNHNYCVPBRML-FYYLOGMGSA-N 1 3 396.579 3.093 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000123834032 1414831397 /nfs/dbraw/zinc/83/13/97/1414831397.db2.gz YCPNHNYCVPBRML-FYYLOGMGSA-N 1 3 396.579 3.093 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000123861365 1414837238 /nfs/dbraw/zinc/83/72/38/1414837238.db2.gz YMXHGWXFTNZLTF-UHFFFAOYSA-N 1 3 379.426 3.287 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cccc(OC(F)(F)F)c2)cc1 ZINC000123866718 1414838489 /nfs/dbraw/zinc/83/84/89/1414838489.db2.gz RJRWRYXDOYTFEK-UHFFFAOYSA-N 1 3 395.425 3.166 20 0 GGADHO C[C@H]1CCc2c(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)csc2C1 ZINC000124382706 1414953679 /nfs/dbraw/zinc/95/36/79/1414953679.db2.gz QMUTYPWWRBHBEV-HNNXBMFYSA-N 1 3 375.582 3.161 20 0 GGADHO C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CN1Cc1ccccc1 ZINC000124882814 1415065958 /nfs/dbraw/zinc/06/59/58/1415065958.db2.gz IBKCHXUCGBZINS-GCJKJVERSA-N 1 3 380.536 3.210 20 0 GGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000177861900 1428876531 /nfs/dbraw/zinc/87/65/31/1428876531.db2.gz MFWNNXADTDSKAD-UNMCSNQZSA-N 1 3 386.584 3.443 20 0 GGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000177861900 1428876532 /nfs/dbraw/zinc/87/65/32/1428876532.db2.gz MFWNNXADTDSKAD-UNMCSNQZSA-N 1 3 386.584 3.443 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000125479315 1415211338 /nfs/dbraw/zinc/21/13/38/1415211338.db2.gz JNNIVLQSKPBMBO-GCJKJVERSA-N 1 3 384.568 3.213 20 0 GGADHO COCc1cc(NCC2(N3CCCCC3)CC[NH+](C)CC2)nc(C(C)(C)C)n1 ZINC000125582400 1415231325 /nfs/dbraw/zinc/23/13/25/1415231325.db2.gz ROSULWCWTCATBO-UHFFFAOYSA-N 1 3 389.588 3.283 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000125673005 1415251407 /nfs/dbraw/zinc/25/14/07/1415251407.db2.gz FTHAOPYGOMINME-REWPJTCUSA-N 1 3 398.595 3.256 20 0 GGADHO CCOc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc(Cl)c1OC ZINC000126052946 1415345497 /nfs/dbraw/zinc/34/54/97/1415345497.db2.gz MOAHKABBSBMGOI-UHFFFAOYSA-N 1 3 395.975 3.396 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)N(C)C)cc1 ZINC000126066648 1415349423 /nfs/dbraw/zinc/34/94/23/1415349423.db2.gz AJXCNMXSCCYZKZ-HJNYFJLDSA-N 1 3 384.568 3.256 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)N(C)C)cc1 ZINC000126066648 1415349425 /nfs/dbraw/zinc/34/94/25/1415349425.db2.gz AJXCNMXSCCYZKZ-HJNYFJLDSA-N 1 3 384.568 3.256 20 0 GGADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)CC(=O)Nc3ccccc3)cc2)CC1 ZINC000126352441 1415424316 /nfs/dbraw/zinc/42/43/16/1415424316.db2.gz ZQIUDVOLSZRJLQ-FQEVSTJZSA-N 1 3 394.563 3.331 20 0 GGADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cc(F)ccc1F ZINC000126622119 1415509199 /nfs/dbraw/zinc/50/91/99/1415509199.db2.gz CSZHBUOFPGAZHB-FQEVSTJZSA-N 1 3 394.510 3.274 20 0 GGADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(C)Cc1ccccc1 ZINC000126686286 1415526549 /nfs/dbraw/zinc/52/65/49/1415526549.db2.gz JZILQKCZPBNQQW-UZKOGDIHSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(C)Cc1ccccc1 ZINC000126686286 1415526564 /nfs/dbraw/zinc/52/65/64/1415526564.db2.gz JZILQKCZPBNQQW-UZKOGDIHSA-N 1 3 384.568 3.165 20 0 GGADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000178034624 1428947774 /nfs/dbraw/zinc/94/77/74/1428947774.db2.gz FVLSHXWQUBBSSB-KSZLIROESA-N 1 3 375.513 3.183 20 0 GGADHO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000178036980 1428949464 /nfs/dbraw/zinc/94/94/64/1428949464.db2.gz YDUPXLACUVUTEW-QRVBRYPASA-N 1 3 375.557 3.445 20 0 GGADHO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000178037013 1428949557 /nfs/dbraw/zinc/94/95/57/1428949557.db2.gz YDUPXLACUVUTEW-IPMKNSEASA-N 1 3 375.557 3.445 20 0 GGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000127233814 1415697731 /nfs/dbraw/zinc/69/77/31/1415697731.db2.gz ZZLMUZCNPUWBEJ-GOSISDBHSA-N 1 3 388.575 3.493 20 0 GGADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000127289550 1415721483 /nfs/dbraw/zinc/72/14/83/1415721483.db2.gz LLSIBHJFAPJEOQ-GOSISDBHSA-N 1 3 376.564 3.491 20 0 GGADHO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000127572701 1415812130 /nfs/dbraw/zinc/81/21/30/1415812130.db2.gz PRFOFBZDVNZBJZ-NFBKMPQASA-N 1 3 383.580 3.274 20 0 GGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127748680 1415843570 /nfs/dbraw/zinc/84/35/70/1415843570.db2.gz CMBGZQKEVWIWOM-YMPZKCBVSA-N 1 3 396.579 3.482 20 0 GGADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127748680 1415843573 /nfs/dbraw/zinc/84/35/73/1415843573.db2.gz CMBGZQKEVWIWOM-YMPZKCBVSA-N 1 3 396.579 3.482 20 0 GGADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000130217403 1416341240 /nfs/dbraw/zinc/34/12/40/1416341240.db2.gz QGAXWCWTBBPBEH-DLBZAZTESA-N 1 3 378.586 3.227 20 0 GGADHO C[NH+](C)Cc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000130393709 1416370215 /nfs/dbraw/zinc/37/02/15/1416370215.db2.gz BIGOUHWVZVOXSO-UHFFFAOYSA-N 1 3 394.563 3.080 20 0 GGADHO c1cc(COc2ccc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)cc2)ccn1 ZINC000130402554 1416372262 /nfs/dbraw/zinc/37/22/62/1416372262.db2.gz IUPBSVACPUPRBO-NRFANRHFSA-N 1 3 381.520 3.251 20 0 GGADHO C[C@H](CSc1ccc(F)cc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000130551010 1416397478 /nfs/dbraw/zinc/39/74/78/1416397478.db2.gz CIVQKLHADUAFKU-MRXNPFEDSA-N 1 3 393.572 3.229 20 0 GGADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000130677923 1416423353 /nfs/dbraw/zinc/42/33/53/1416423353.db2.gz CFEZBYZGHLINIS-GOSISDBHSA-N 1 3 380.602 3.189 20 0 GGADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)Cc2cccs2)C1 ZINC000130677923 1416423356 /nfs/dbraw/zinc/42/33/56/1416423356.db2.gz CFEZBYZGHLINIS-GOSISDBHSA-N 1 3 380.602 3.189 20 0 GGADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000130734252 1416437931 /nfs/dbraw/zinc/43/79/31/1416437931.db2.gz SPZQQQZUYPJBIN-QFIPXVFZSA-N 1 3 386.584 3.272 20 0 GGADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000130734252 1416437935 /nfs/dbraw/zinc/43/79/35/1416437935.db2.gz SPZQQQZUYPJBIN-QFIPXVFZSA-N 1 3 386.584 3.272 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c(C)c2)CC1 ZINC000178539237 1429101833 /nfs/dbraw/zinc/10/18/33/1429101833.db2.gz KPPXXVCEEKANDV-DENIHFKCSA-N 1 3 399.583 3.085 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c(C)c2)CC1 ZINC000178539237 1429101842 /nfs/dbraw/zinc/10/18/42/1429101842.db2.gz KPPXXVCEEKANDV-DENIHFKCSA-N 1 3 399.583 3.085 20 0 GGADHO CCN1CCN(CCC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000131080750 1416505688 /nfs/dbraw/zinc/50/56/88/1416505688.db2.gz GIEIIAMVVUNXLV-UHFFFAOYSA-N 1 3 383.584 3.287 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000131418462 1416554866 /nfs/dbraw/zinc/55/48/66/1416554866.db2.gz QJFSRVPSTDQXHJ-SFHVURJKSA-N 1 3 387.572 3.171 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000132051526 1416682607 /nfs/dbraw/zinc/68/26/07/1416682607.db2.gz ZKGLBHSHDBVBTK-QGZVFWFLSA-N 1 3 387.572 3.169 20 0 GGADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cccc(-c3cccnc3)c2)c1 ZINC000132096564 1416694880 /nfs/dbraw/zinc/69/48/80/1416694880.db2.gz KWJUOSLSEPBENG-UHFFFAOYSA-N 1 3 388.515 3.330 20 0 GGADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1Cl ZINC000132137083 1416705799 /nfs/dbraw/zinc/70/57/99/1416705799.db2.gz AZFKVNQXALSIJY-CQSZACIVSA-N 1 3 396.938 3.398 20 0 GGADHO C[C@@H]([C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000178621683 1429123483 /nfs/dbraw/zinc/12/34/83/1429123483.db2.gz KQQYSCQKIQBTHH-ROUUACIJSA-N 1 3 378.605 3.449 20 0 GGADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000132723744 1416808207 /nfs/dbraw/zinc/80/82/07/1416808207.db2.gz XYWFWWHGPNCQBI-CBZJRKILSA-N 1 3 386.561 3.232 20 0 GGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000132881778 1416826681 /nfs/dbraw/zinc/82/66/81/1416826681.db2.gz FZUDDQWBKFRRJG-RXVVDRJESA-N 1 3 387.572 3.171 20 0 GGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000132881778 1416826683 /nfs/dbraw/zinc/82/66/83/1416826683.db2.gz FZUDDQWBKFRRJG-RXVVDRJESA-N 1 3 387.572 3.171 20 0 GGADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)COc1ccc(F)c(F)c1 ZINC000133680230 1416938847 /nfs/dbraw/zinc/93/88/47/1416938847.db2.gz JOPFGSVBLMGDBR-LJQANCHMSA-N 1 3 390.474 3.001 20 0 GGADHO C[C@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)C[NH+]1CCCCC1 ZINC000133831646 1416971796 /nfs/dbraw/zinc/97/17/96/1416971796.db2.gz WPOCNBQBNWTUTD-RTBURBONSA-N 1 3 387.572 3.028 20 0 GGADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133863339 1416981662 /nfs/dbraw/zinc/98/16/62/1416981662.db2.gz YKKIXZIVCFCVGK-OTWHNJEPSA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000133863339 1416981685 /nfs/dbraw/zinc/98/16/85/1416981685.db2.gz YKKIXZIVCFCVGK-OTWHNJEPSA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000133998721 1417007791 /nfs/dbraw/zinc/00/77/91/1417007791.db2.gz URNOUGREASSBSL-JTSKRJEESA-N 1 3 386.561 3.499 20 0 GGADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC[C@@H]21 ZINC000136376197 1417312369 /nfs/dbraw/zinc/31/23/69/1417312369.db2.gz FFDYWEHTGVGFNE-SQNIBIBYSA-N 1 3 376.570 3.011 20 0 GGADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC[C@@H]21 ZINC000136376197 1417312371 /nfs/dbraw/zinc/31/23/71/1417312371.db2.gz FFDYWEHTGVGFNE-SQNIBIBYSA-N 1 3 376.570 3.011 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(F)cc3C(F)(F)F)CC2)CC1 ZINC000136376465 1417312411 /nfs/dbraw/zinc/31/24/11/1417312411.db2.gz AGAFJLLDGBCFFB-UHFFFAOYSA-N 1 3 387.421 3.133 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccsc1 ZINC000136810355 1417347288 /nfs/dbraw/zinc/34/72/88/1417347288.db2.gz RPIGETCCQNBPMJ-NZSAHSFTSA-N 1 3 378.586 3.257 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccsc1 ZINC000136810355 1417347292 /nfs/dbraw/zinc/34/72/92/1417347292.db2.gz RPIGETCCQNBPMJ-NZSAHSFTSA-N 1 3 378.586 3.257 20 0 GGADHO C[C@@H](CNC(=O)Nc1ccc(CCN2CCSCC2)cc1)[NH+]1CCCCC1 ZINC000139912264 1417480329 /nfs/dbraw/zinc/48/03/29/1417480329.db2.gz OMYLXWNLZPGNIF-SFHVURJKSA-N 1 3 390.597 3.274 20 0 GGADHO C[NH+](C)CCOc1ccc(CNCc2ccc(N3CCCCC3=O)cc2)cc1 ZINC000139967923 1417483208 /nfs/dbraw/zinc/48/32/08/1417483208.db2.gz KSINHDBYCPSCOA-UHFFFAOYSA-N 1 3 381.520 3.434 20 0 GGADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCN(C2CCCC2)CC1 ZINC000142208948 1417575875 /nfs/dbraw/zinc/57/58/75/1417575875.db2.gz HWPXVSQWXXIZKR-UHFFFAOYSA-N 1 3 390.597 3.230 20 0 GGADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC000178850939 1429195026 /nfs/dbraw/zinc/19/50/26/1429195026.db2.gz ALEDAURMKTVLSV-BEFAXECRSA-N 1 3 383.458 3.027 20 0 GGADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145495964 1417690345 /nfs/dbraw/zinc/69/03/45/1417690345.db2.gz NWCYAJDDWYRHRM-LJQANCHMSA-N 1 3 388.625 3.380 20 0 GGADHO C[C@@H]1CCCC[N@H+]1CCCNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145495964 1417690355 /nfs/dbraw/zinc/69/03/55/1417690355.db2.gz NWCYAJDDWYRHRM-LJQANCHMSA-N 1 3 388.625 3.380 20 0 GGADHO C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000145588894 1417693228 /nfs/dbraw/zinc/69/32/28/1417693228.db2.gz MOZNFDIAPMOSDD-OALUTQOASA-N 1 3 388.625 3.378 20 0 GGADHO C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000145588894 1417693233 /nfs/dbraw/zinc/69/32/33/1417693233.db2.gz MOZNFDIAPMOSDD-OALUTQOASA-N 1 3 388.625 3.378 20 0 GGADHO C[C@@H](CNC(=S)NC1CCN(Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000145659745 1417695133 /nfs/dbraw/zinc/69/51/33/1417695133.db2.gz OFOBMNXAYCESAB-IBGZPJMESA-N 1 3 388.625 3.237 20 0 GGADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145703116 1417697345 /nfs/dbraw/zinc/69/73/45/1417697345.db2.gz IWALCJUMRMAURU-RTBURBONSA-N 1 3 388.625 3.236 20 0 GGADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000145703116 1417697361 /nfs/dbraw/zinc/69/73/61/1417697361.db2.gz IWALCJUMRMAURU-RTBURBONSA-N 1 3 388.625 3.236 20 0 GGADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000150768580 1417803477 /nfs/dbraw/zinc/80/34/77/1417803477.db2.gz YIAWGPRFHFCMEZ-KRWDZBQOSA-N 1 3 396.526 3.016 20 0 GGADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1 ZINC000150768580 1417803481 /nfs/dbraw/zinc/80/34/81/1417803481.db2.gz YIAWGPRFHFCMEZ-KRWDZBQOSA-N 1 3 396.526 3.016 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)c(C)c2)CC1 ZINC000151434213 1417967608 /nfs/dbraw/zinc/96/76/08/1417967608.db2.gz QAZMNQIEUSXFND-UHFFFAOYSA-N 1 3 397.567 3.005 20 0 GGADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000152178194 1418166129 /nfs/dbraw/zinc/16/61/29/1418166129.db2.gz XPVMQNGWFOTZJA-UHFFFAOYSA-N 1 3 384.568 3.311 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000152212175 1418174047 /nfs/dbraw/zinc/17/40/47/1418174047.db2.gz GWOZEFLZAHASOG-IBGZPJMESA-N 1 3 387.572 3.028 20 0 GGADHO CS[C@H]1CCCCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000179111121 1429265621 /nfs/dbraw/zinc/26/56/21/1429265621.db2.gz GAYRYKYPNIZQET-NRFANRHFSA-N 1 3 389.609 3.293 20 0 GGADHO C[C@H]1CCc2ccccc2[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000179344750 1429336817 /nfs/dbraw/zinc/33/68/17/1429336817.db2.gz XJLZCWGSHAFGKZ-JTSKRJEESA-N 1 3 384.568 3.168 20 0 GGADHO C[C@H](N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000179496271 1429394627 /nfs/dbraw/zinc/39/46/27/1429394627.db2.gz PARFZXJGJLWBPO-CVDCTZTESA-N 1 3 395.547 3.469 20 0 GGADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000179511756 1429403376 /nfs/dbraw/zinc/40/33/76/1429403376.db2.gz YIZWMZHYCODEQG-MRXNPFEDSA-N 1 3 397.523 3.157 20 0 GGADHO COCC[N@H+](C)CCCC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000179679397 1429503688 /nfs/dbraw/zinc/50/36/88/1429503688.db2.gz LJKJEOZWXGNFNP-NRFANRHFSA-N 1 3 389.540 3.082 20 0 GGADHO COCC[N@@H+](C)CCCC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000179679397 1429503695 /nfs/dbraw/zinc/50/36/95/1429503695.db2.gz LJKJEOZWXGNFNP-NRFANRHFSA-N 1 3 389.540 3.082 20 0 GGADHO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000179683850 1429505916 /nfs/dbraw/zinc/50/59/16/1429505916.db2.gz DDXDUJLWDZFUAT-UHFFFAOYSA-N 1 3 390.572 3.351 20 0 GGADHO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000179683850 1429505918 /nfs/dbraw/zinc/50/59/18/1429505918.db2.gz DDXDUJLWDZFUAT-UHFFFAOYSA-N 1 3 390.572 3.351 20 0 GGADHO CC(C)(C)CCN1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000179750189 1429537652 /nfs/dbraw/zinc/53/76/52/1429537652.db2.gz WELQHWYIEKRVSF-UHFFFAOYSA-N 1 3 387.572 3.061 20 0 GGADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000154089752 1422839015 /nfs/dbraw/zinc/83/90/15/1422839015.db2.gz BPAPXLZQKJFJCQ-SFHVURJKSA-N 1 3 376.545 3.150 20 0 GGADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000154089752 1422839016 /nfs/dbraw/zinc/83/90/16/1422839016.db2.gz BPAPXLZQKJFJCQ-SFHVURJKSA-N 1 3 376.545 3.150 20 0 GGADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000154218489 1422857113 /nfs/dbraw/zinc/85/71/13/1422857113.db2.gz DOAGHWFUIRRWJD-IBGZPJMESA-N 1 3 389.588 3.239 20 0 GGADHO CCN1CCN(CCC[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000154223689 1422857856 /nfs/dbraw/zinc/85/78/56/1422857856.db2.gz BIMCJZQJAVNIAC-HXUWFJFHSA-N 1 3 383.584 3.476 20 0 GGADHO Cc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000154539001 1422912711 /nfs/dbraw/zinc/91/27/11/1422912711.db2.gz RLUCZWJEICFSGP-SFHVURJKSA-N 1 3 389.565 3.076 20 0 GGADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000179884271 1429624516 /nfs/dbraw/zinc/62/45/16/1429624516.db2.gz YFUHJZKMZGYSOE-CALCHBBNSA-N 1 3 388.581 3.470 20 0 GGADHO C[C@@H]1C[N@H+](CC2CCN(Cc3cn(C)nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000179884271 1429624522 /nfs/dbraw/zinc/62/45/22/1429624522.db2.gz YFUHJZKMZGYSOE-CALCHBBNSA-N 1 3 388.581 3.470 20 0 GGADHO C[S@@](=O)c1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000155540937 1423408992 /nfs/dbraw/zinc/40/89/92/1423408992.db2.gz SJGVBFAEQSJWLP-NDEPHWFRSA-N 1 3 399.604 3.112 20 0 GGADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000155568768 1423423359 /nfs/dbraw/zinc/42/33/59/1423423359.db2.gz DBNWHGCDERBGOV-PMACEKPBSA-N 1 3 383.584 3.474 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000155619093 1423449630 /nfs/dbraw/zinc/44/96/30/1423449630.db2.gz CGVUYZOKSYEPQE-UYAOXDASSA-N 1 3 384.568 3.378 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000155619093 1423449641 /nfs/dbraw/zinc/44/96/41/1423449641.db2.gz CGVUYZOKSYEPQE-UYAOXDASSA-N 1 3 384.568 3.378 20 0 GGADHO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000155626642 1423454973 /nfs/dbraw/zinc/45/49/73/1423454973.db2.gz UNCPJNGMHOEQOZ-SFHVURJKSA-N 1 3 384.568 3.468 20 0 GGADHO CN1CCN(c2ncccc2C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000156192942 1423717565 /nfs/dbraw/zinc/71/75/65/1423717565.db2.gz YCBGKDBEBBTUBT-UHFFFAOYSA-N 1 3 382.405 3.281 20 0 GGADHO CC[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCc2ccccc2C1 ZINC000156311489 1423771685 /nfs/dbraw/zinc/77/16/85/1423771685.db2.gz NZJIEYDJJOQPFB-GOTSBHOMSA-N 1 3 398.595 3.483 20 0 GGADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156379264 1423802321 /nfs/dbraw/zinc/80/23/21/1423802321.db2.gz FBNZNZNVNPQDEM-FGZHOGPDSA-N 1 3 384.568 3.483 20 0 GGADHO Cc1ccc2ncc(C[NH2+][C@@H](C)c3cc(F)ccc3N3CCN(C)CC3)n2c1 ZINC000156538777 1423824709 /nfs/dbraw/zinc/82/47/09/1423824709.db2.gz QNSMLPSNUZHPMY-KRWDZBQOSA-N 1 3 381.499 3.384 20 0 GGADHO CCOCc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC ZINC000179987411 1429676212 /nfs/dbraw/zinc/67/62/12/1429676212.db2.gz XWVGEIZECYMSLN-UHFFFAOYSA-N 1 3 376.541 3.309 20 0 GGADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156791653 1423865785 /nfs/dbraw/zinc/86/57/85/1423865785.db2.gz WOWMRZDZTQQHJO-VXKWHMMOSA-N 1 3 384.568 3.311 20 0 GGADHO O=C(NCC1(N2CCSCC2)CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156797992 1423866669 /nfs/dbraw/zinc/86/66/69/1423866669.db2.gz XBZUQIMNUBBZNQ-LJQANCHMSA-N 1 3 394.629 3.008 20 0 GGADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000156906765 1423883615 /nfs/dbraw/zinc/88/36/15/1423883615.db2.gz LEXPZHGVMGDJJZ-NZQKXSOJSA-N 1 3 393.531 3.170 20 0 GGADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000156906765 1423883617 /nfs/dbraw/zinc/88/36/17/1423883617.db2.gz LEXPZHGVMGDJJZ-NZQKXSOJSA-N 1 3 393.531 3.170 20 0 GGADHO C[C@@H]1C[C@H]([N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 ZINC000157067651 1423916120 /nfs/dbraw/zinc/91/61/20/1423916120.db2.gz ZYKKUEUYROBXJD-KBAYOESNSA-N 1 3 383.458 3.135 20 0 GGADHO C[C@@H]1C[C@H]([N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 ZINC000157067651 1423916130 /nfs/dbraw/zinc/91/61/30/1423916130.db2.gz ZYKKUEUYROBXJD-KBAYOESNSA-N 1 3 383.458 3.135 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157289124 1423976302 /nfs/dbraw/zinc/97/63/02/1423976302.db2.gz VFJZHXKYTFVWFX-MOPGFXCFSA-N 1 3 387.572 3.171 20 0 GGADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157289124 1423976308 /nfs/dbraw/zinc/97/63/08/1423976308.db2.gz VFJZHXKYTFVWFX-MOPGFXCFSA-N 1 3 387.572 3.171 20 0 GGADHO CC(C)CS(=O)(=O)N1CCC([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000180015472 1429692978 /nfs/dbraw/zinc/69/29/78/1429692978.db2.gz ZAPBXPWBZGDIFG-WIYYLYMNSA-N 1 3 399.645 3.069 20 0 GGADHO C[C@H](NCc1ccc(N2CCO[C@H](C)C2)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000157715104 1424073078 /nfs/dbraw/zinc/07/30/78/1424073078.db2.gz FFOLKXOEUMJCIK-MOPGFXCFSA-N 1 3 398.551 3.098 20 0 GGADHO COc1cc(Cl)c(C)cc1NC(=O)CCNC1CC[NH+](CC2CC2)CC1 ZINC000158381530 1424240672 /nfs/dbraw/zinc/24/06/72/1424240672.db2.gz VJUXWYACLPSMDH-UHFFFAOYSA-N 1 3 379.932 3.450 20 0 GGADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C1CCN(CC2CC2)CC1 ZINC000158381530 1424240679 /nfs/dbraw/zinc/24/06/79/1424240679.db2.gz VJUXWYACLPSMDH-UHFFFAOYSA-N 1 3 379.932 3.450 20 0 GGADHO CC(C)[C@@H](CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+]1CCCC1 ZINC000158457902 1424260836 /nfs/dbraw/zinc/26/08/36/1424260836.db2.gz NCBPRUZSBHLQPB-WIYYLYMNSA-N 1 3 387.572 3.027 20 0 GGADHO CC(C)[C@@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+]1CCCC1 ZINC000158457689 1424261241 /nfs/dbraw/zinc/26/12/41/1424261241.db2.gz NCBPRUZSBHLQPB-GHTZIAJQSA-N 1 3 387.572 3.027 20 0 GGADHO CN1CCN(c2ncccc2C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000158496810 1424272510 /nfs/dbraw/zinc/27/25/10/1424272510.db2.gz KQBKPNRDEXWVBZ-FQEVSTJZSA-N 1 3 378.520 3.370 20 0 GGADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)CC1 ZINC000158731893 1424329240 /nfs/dbraw/zinc/32/92/40/1424329240.db2.gz PBKFIGKMRVIEKV-UHFFFAOYSA-N 1 3 396.526 3.303 20 0 GGADHO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000158863416 1424359474 /nfs/dbraw/zinc/35/94/74/1424359474.db2.gz GYRQIQPKIXXDQM-GHTZIAJQSA-N 1 3 390.572 3.304 20 0 GGADHO C[NH+](C)CCN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000159186475 1424438594 /nfs/dbraw/zinc/43/85/94/1424438594.db2.gz MOCLIIBQZYXSFO-GOSISDBHSA-N 1 3 378.586 3.401 20 0 GGADHO O[C@H](COCc1ccco1)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159207561 1424443104 /nfs/dbraw/zinc/44/31/04/1424443104.db2.gz UHMDJGDCJXDRFC-GIWBLDEGSA-N 1 3 384.520 3.144 20 0 GGADHO O[C@H](COCc1ccco1)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159207561 1424443113 /nfs/dbraw/zinc/44/31/13/1424443113.db2.gz UHMDJGDCJXDRFC-GIWBLDEGSA-N 1 3 384.520 3.144 20 0 GGADHO COc1ccc([C@@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)C(C)C)cc1 ZINC000180086588 1429730569 /nfs/dbraw/zinc/73/05/69/1429730569.db2.gz NYHSXYHXGFCPJW-QFIPXVFZSA-N 1 3 383.536 3.474 20 0 GGADHO Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000162162576 1424821242 /nfs/dbraw/zinc/82/12/42/1424821242.db2.gz OHDKAFJNSAKHKF-GOSISDBHSA-N 1 3 376.508 3.286 20 0 GGADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1ccc(N2CCOC2=O)cc1 ZINC000162543247 1424864433 /nfs/dbraw/zinc/86/44/33/1424864433.db2.gz LBERKZJJZHDQAV-QGZVFWFLSA-N 1 3 383.492 3.434 20 0 GGADHO COc1cccc([C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)N2CCCC2)c1 ZINC000163639768 1425028060 /nfs/dbraw/zinc/02/80/60/1425028060.db2.gz NEHMLUJTSMFZET-FGZHOGPDSA-N 1 3 381.520 3.429 20 0 GGADHO C[C@H](N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163671283 1425031765 /nfs/dbraw/zinc/03/17/65/1425031765.db2.gz DFRWSBCLDBRZQZ-GBXCKJPGSA-N 1 3 397.563 3.351 20 0 GGADHO CC[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cnn(C)c1 ZINC000163934566 1425059632 /nfs/dbraw/zinc/05/96/32/1425059632.db2.gz ORFJMWZVVXQRSC-JOCHJYFZSA-N 1 3 386.540 3.151 20 0 GGADHO CC[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cnn(C)c1 ZINC000163934566 1425059646 /nfs/dbraw/zinc/05/96/46/1425059646.db2.gz ORFJMWZVVXQRSC-JOCHJYFZSA-N 1 3 386.540 3.151 20 0 GGADHO Cn1ncc2c1CCC[C@@H]2NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163974945 1425064459 /nfs/dbraw/zinc/06/44/59/1425064459.db2.gz DIVHNYAYQGYVFC-QFIPXVFZSA-N 1 3 398.551 3.077 20 0 GGADHO Cn1ncc2c1CCC[C@@H]2NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163974945 1425064472 /nfs/dbraw/zinc/06/44/72/1425064472.db2.gz DIVHNYAYQGYVFC-QFIPXVFZSA-N 1 3 398.551 3.077 20 0 GGADHO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000164056585 1425072214 /nfs/dbraw/zinc/07/22/14/1425072214.db2.gz COVPQCRYOLHDSA-MAUKXSAKSA-N 1 3 381.561 3.211 20 0 GGADHO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000164056481 1425072519 /nfs/dbraw/zinc/07/25/19/1425072519.db2.gz COVPQCRYOLHDSA-CRAIPNDOSA-N 1 3 381.561 3.211 20 0 GGADHO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000164056264 1425072643 /nfs/dbraw/zinc/07/26/43/1425072643.db2.gz COVPQCRYOLHDSA-QAPCUYQASA-N 1 3 381.561 3.211 20 0 GGADHO CCCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000164438985 1425112149 /nfs/dbraw/zinc/11/21/49/1425112149.db2.gz DEOVUMPNPKLKIT-MRXNPFEDSA-N 1 3 377.529 3.275 20 0 GGADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000165587371 1425186449 /nfs/dbraw/zinc/18/64/49/1425186449.db2.gz FYHOVVDUMSIGBQ-JTDSTZFVSA-N 1 3 398.517 3.276 20 0 GGADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000165587371 1425186458 /nfs/dbraw/zinc/18/64/58/1425186458.db2.gz FYHOVVDUMSIGBQ-JTDSTZFVSA-N 1 3 398.517 3.276 20 0 GGADHO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)CN1C1CC1 ZINC000165597238 1425187725 /nfs/dbraw/zinc/18/77/25/1425187725.db2.gz SHEVDVRMPAJPNZ-CRAIPNDOSA-N 1 3 396.501 3.172 20 0 GGADHO Clc1ccccc1N1CCN(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166317636 1425210983 /nfs/dbraw/zinc/21/09/83/1425210983.db2.gz NYFLIZYQNZQXTQ-RTBURBONSA-N 1 3 376.976 3.069 20 0 GGADHO Clc1ccccc1N1CCN(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166317636 1425210985 /nfs/dbraw/zinc/21/09/85/1425210985.db2.gz NYFLIZYQNZQXTQ-RTBURBONSA-N 1 3 376.976 3.069 20 0 GGADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000167361398 1425225165 /nfs/dbraw/zinc/22/51/65/1425225165.db2.gz SOULHRBMGXRUBT-WWMYMODYSA-N 1 3 381.524 3.222 20 0 GGADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(-c2ccccc2)c1 ZINC000168891881 1425240383 /nfs/dbraw/zinc/24/03/83/1425240383.db2.gz BVOVRUGTCLMANM-OAQYLSRUSA-N 1 3 381.564 3.394 20 0 GGADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(-c2ccccc2)c1 ZINC000168891787 1425240938 /nfs/dbraw/zinc/24/09/38/1425240938.db2.gz BVOVRUGTCLMANM-NRFANRHFSA-N 1 3 381.564 3.394 20 0 GGADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(-c2cccs2)cc1 ZINC000168897711 1425241663 /nfs/dbraw/zinc/24/16/63/1425241663.db2.gz IVZNSHYGQYZOCB-LJQANCHMSA-N 1 3 387.593 3.456 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000170756288 1425328421 /nfs/dbraw/zinc/32/84/21/1425328421.db2.gz BRPGWDWQFWKDAC-OALUTQOASA-N 1 3 390.597 3.401 20 0 GGADHO CC1CCN([C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c2cccs2)CC1 ZINC000170756289 1425329081 /nfs/dbraw/zinc/32/90/81/1425329081.db2.gz BRPGWDWQFWKDAC-RBUKOAKNSA-N 1 3 390.597 3.401 20 0 GGADHO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170814240 1425351877 /nfs/dbraw/zinc/35/18/77/1425351877.db2.gz RHFYQRKYZCZYPF-GHTZIAJQSA-N 1 3 378.605 3.449 20 0 GGADHO CCC[C@H](Cc1ccccc1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000170814277 1425351964 /nfs/dbraw/zinc/35/19/64/1425351964.db2.gz YXKOQAQUBIOLFE-OAQYLSRUSA-N 1 3 386.584 3.256 20 0 GGADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000171129763 1425496656 /nfs/dbraw/zinc/49/66/56/1425496656.db2.gz MTJYOZIQVTYKQH-QGZVFWFLSA-N 1 3 387.549 3.139 20 0 GGADHO CCCN1Cc2cccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)c2C1 ZINC000171212733 1425542435 /nfs/dbraw/zinc/54/24/35/1425542435.db2.gz MVDLVUYEAJDSJC-UHFFFAOYSA-N 1 3 392.547 3.412 20 0 GGADHO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3cccc(CN(C)C)c3)CC2)C[C@@H](C)O1 ZINC000171247598 1425566053 /nfs/dbraw/zinc/56/60/53/1425566053.db2.gz XXSHLJNYOUXPCX-QZTJIDSGSA-N 1 3 388.556 3.101 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000172258132 1425970809 /nfs/dbraw/zinc/97/08/09/1425970809.db2.gz ZPYQROBVIHMUOS-UHFFFAOYSA-N 1 3 386.540 3.156 20 0 GGADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172417688 1426034830 /nfs/dbraw/zinc/03/48/30/1426034830.db2.gz WXUBYHTWDAUKKS-UHFFFAOYSA-N 1 3 398.595 3.066 20 0 GGADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172417688 1426034839 /nfs/dbraw/zinc/03/48/39/1426034839.db2.gz WXUBYHTWDAUKKS-UHFFFAOYSA-N 1 3 398.595 3.066 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)CC1 ZINC000172496746 1426059609 /nfs/dbraw/zinc/05/96/09/1426059609.db2.gz IDBAYOKKZOPOOO-JOCHJYFZSA-N 1 3 398.595 3.308 20 0 GGADHO CN(C)Cc1cccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000172616433 1426115329 /nfs/dbraw/zinc/11/53/29/1426115329.db2.gz ZFOOVQUPUMBDMW-UHFFFAOYSA-N 1 3 394.563 3.080 20 0 GGADHO COc1ccc([C@H](CNC(=O)NCCC[NH+]2CCCCC2)N2CCCC2)cc1 ZINC000172632002 1426119642 /nfs/dbraw/zinc/11/96/42/1426119642.db2.gz NNAJKMZWPZAFFU-NRFANRHFSA-N 1 3 388.556 3.007 20 0 GGADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1 ZINC000172717847 1426157981 /nfs/dbraw/zinc/15/79/81/1426157981.db2.gz ODZDWJIGBGTJTA-UHFFFAOYSA-N 1 3 375.463 3.230 20 0 GGADHO C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)(N2CCCCC2)CC1 ZINC000172749730 1426172860 /nfs/dbraw/zinc/17/28/60/1426172860.db2.gz WSSIVUILFHSBER-RBUKOAKNSA-N 1 3 391.506 3.135 20 0 GGADHO C[C@@H](CCc1cccc(F)c1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000172929701 1426269837 /nfs/dbraw/zinc/26/98/37/1426269837.db2.gz KWHVPBCDZFQYNB-KRWDZBQOSA-N 1 3 375.532 3.069 20 0 GGADHO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1OC ZINC000173335291 1426515932 /nfs/dbraw/zinc/51/59/32/1426515932.db2.gz QGLKAVQHKPHRCU-SFHVURJKSA-N 1 3 383.536 3.302 20 0 GGADHO CC(C)=CCOc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000173348810 1426526665 /nfs/dbraw/zinc/52/66/65/1426526665.db2.gz IWPTUNMHCJMPST-UHFFFAOYSA-N 1 3 385.552 3.320 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccs2)CC1 ZINC000173402380 1426586180 /nfs/dbraw/zinc/58/61/80/1426586180.db2.gz FLJQJWAVCJWNCY-QYZOEREBSA-N 1 3 390.597 3.399 20 0 GGADHO CC1CCN([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccs2)CC1 ZINC000173402380 1426586187 /nfs/dbraw/zinc/58/61/87/1426586187.db2.gz FLJQJWAVCJWNCY-QYZOEREBSA-N 1 3 390.597 3.399 20 0 GGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000173415910 1426598634 /nfs/dbraw/zinc/59/86/34/1426598634.db2.gz APEALCAWCLEXEH-MSOLQXFVSA-N 1 3 378.586 3.258 20 0 GGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000173415910 1426598637 /nfs/dbraw/zinc/59/86/37/1426598637.db2.gz APEALCAWCLEXEH-MSOLQXFVSA-N 1 3 378.586 3.258 20 0 GGADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000173416753 1426599999 /nfs/dbraw/zinc/59/99/99/1426599999.db2.gz JLMMMDIDAMSHSJ-ROUUACIJSA-N 1 3 378.586 3.401 20 0 GGADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000173416753 1426600011 /nfs/dbraw/zinc/60/00/11/1426600011.db2.gz JLMMMDIDAMSHSJ-ROUUACIJSA-N 1 3 378.586 3.401 20 0 GGADHO Cc1cccc(N2CCN(CCC(=O)Nc3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000173919044 1426892129 /nfs/dbraw/zinc/89/21/29/1426892129.db2.gz UGJCFCWNNXTKBO-UHFFFAOYSA-N 1 3 380.536 3.207 20 0 GGADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cccc(CN(C)C)c2)c1 ZINC000173986032 1426928079 /nfs/dbraw/zinc/92/80/79/1426928079.db2.gz KXOLDHZRQMRGHD-UHFFFAOYSA-N 1 3 396.535 3.072 20 0 GGADHO C[NH+](C)CCn1ccc2ccc(NC(=O)CC3(N4CCOCC4)CCCC3)cc21 ZINC000174062171 1426980667 /nfs/dbraw/zinc/98/06/67/1426980667.db2.gz JQCSOYAIWIGCPI-UHFFFAOYSA-N 1 3 398.551 3.177 20 0 GGADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174118268 1427009628 /nfs/dbraw/zinc/00/96/28/1427009628.db2.gz FBIITPZYICRUPZ-QZTJIDSGSA-N 1 3 376.570 3.012 20 0 GGADHO Cc1ccc(OCCCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000174151375 1427022808 /nfs/dbraw/zinc/02/28/08/1427022808.db2.gz DQBWPWZSCKLVRI-UHFFFAOYSA-N 1 3 387.568 3.137 20 0 GGADHO CC(C)[NH+](CCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)C(C)C ZINC000174350436 1427115312 /nfs/dbraw/zinc/11/53/12/1427115312.db2.gz CMXJMRBZPYTNSD-BGYRXZFFSA-N 1 3 396.620 3.026 20 0 GGADHO Cc1ccc2[nH]cc(CCC(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)c2c1 ZINC000174404232 1427142276 /nfs/dbraw/zinc/14/22/76/1427142276.db2.gz CEALAHUBLZGCQB-UHFFFAOYSA-N 1 3 382.552 3.084 20 0 GGADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH+](CC)CC)C3)c(C)c2)CC1 ZINC000174607484 1427258424 /nfs/dbraw/zinc/25/84/24/1427258424.db2.gz SSBCSIHUHVBELR-HXUWFJFHSA-N 1 3 387.572 3.085 20 0 GGADHO C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC000175237016 1427618864 /nfs/dbraw/zinc/61/88/64/1427618864.db2.gz MKQNTSVVLDMHNQ-LJQANCHMSA-N 1 3 384.568 3.167 20 0 GGADHO C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000175409847 1427739116 /nfs/dbraw/zinc/73/91/16/1427739116.db2.gz HKKNECGSWKWVFX-GCJKJVERSA-N 1 3 384.568 3.133 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000175470349 1427771897 /nfs/dbraw/zinc/77/18/97/1427771897.db2.gz MRAZLXXTRWLQGW-UHFFFAOYSA-N 1 3 394.510 3.058 20 0 GGADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCN1CCC(C)CC1 ZINC000175477270 1427776581 /nfs/dbraw/zinc/77/65/81/1427776581.db2.gz MSVQDOODICELCK-JOCHJYFZSA-N 1 3 386.584 3.272 20 0 GGADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN1CCC(C)CC1 ZINC000175477270 1427776587 /nfs/dbraw/zinc/77/65/87/1427776587.db2.gz MSVQDOODICELCK-JOCHJYFZSA-N 1 3 386.584 3.272 20 0 GGADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000175512700 1427799027 /nfs/dbraw/zinc/79/90/27/1427799027.db2.gz GWWBGYSRJHJUNO-UHFFFAOYSA-N 1 3 395.503 3.365 20 0 GGADHO O=C(NCCCN1CCc2ccccc2C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175607531 1427830083 /nfs/dbraw/zinc/83/00/83/1427830083.db2.gz HSBLHPUNCMDSTF-UHFFFAOYSA-N 1 3 384.568 3.141 20 0 GGADHO CCC[N@H+](CC)CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000175791789 1427894263 /nfs/dbraw/zinc/89/42/63/1427894263.db2.gz VPKWCVPPHLFESO-UHFFFAOYSA-N 1 3 378.586 3.131 20 0 GGADHO CCC[N@@H+](CC)CCNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000175791789 1427894267 /nfs/dbraw/zinc/89/42/67/1427894267.db2.gz VPKWCVPPHLFESO-UHFFFAOYSA-N 1 3 378.586 3.131 20 0 GGADHO CN(CCNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000175816043 1427907070 /nfs/dbraw/zinc/90/70/70/1427907070.db2.gz PYPHHLDCFJGSHQ-QHCPKHFHSA-N 1 3 394.563 3.282 20 0 GGADHO CN(CCNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000175816043 1427907071 /nfs/dbraw/zinc/90/70/71/1427907071.db2.gz PYPHHLDCFJGSHQ-QHCPKHFHSA-N 1 3 394.563 3.282 20 0 GGADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175971663 1428006062 /nfs/dbraw/zinc/00/60/62/1428006062.db2.gz VFVZZULCFAQKLI-VQTJNVASSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175971663 1428006066 /nfs/dbraw/zinc/00/60/66/1428006066.db2.gz VFVZZULCFAQKLI-VQTJNVASSA-N 1 3 386.584 3.413 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000176009262 1428025323 /nfs/dbraw/zinc/02/53/23/1428025323.db2.gz XMIBEZNVCZRDRA-UHFFFAOYSA-N 1 3 388.556 3.292 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C[C@H](C)O1 ZINC000180312368 1429833637 /nfs/dbraw/zinc/83/36/37/1429833637.db2.gz ONSWQLHDMRDKHH-AKHDSKFASA-N 1 3 383.577 3.111 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000180330938 1429837499 /nfs/dbraw/zinc/83/74/99/1429837499.db2.gz MGKBRXIEOYNRCV-JOCHJYFZSA-N 1 3 395.551 3.209 20 0 GGADHO Cc1ccc([C@H](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000180330959 1429837630 /nfs/dbraw/zinc/83/76/30/1429837630.db2.gz MGKBRXIEOYNRCV-QFIPXVFZSA-N 1 3 395.551 3.209 20 0 GGADHO CN(C)Cc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000180708403 1429990870 /nfs/dbraw/zinc/99/08/70/1429990870.db2.gz NFSYDHHQQQYBLI-JOCHJYFZSA-N 1 3 396.535 3.027 20 0 GGADHO CN(C)Cc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000180708403 1429990873 /nfs/dbraw/zinc/99/08/73/1429990873.db2.gz NFSYDHHQQQYBLI-JOCHJYFZSA-N 1 3 396.535 3.027 20 0 GGADHO C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1N(C)C ZINC000180974826 1430146418 /nfs/dbraw/zinc/14/64/18/1430146418.db2.gz IZRZBHZLALFACR-IBGZPJMESA-N 1 3 394.563 3.429 20 0 GGADHO COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000180976346 1430147786 /nfs/dbraw/zinc/14/77/86/1430147786.db2.gz WGIDEGIIQORJGV-LJQANCHMSA-N 1 3 395.547 3.242 20 0 GGADHO Cc1ccc(-c2n[nH]cc2CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000180984529 1430152622 /nfs/dbraw/zinc/15/26/22/1430152622.db2.gz NFKUYWGRPKXDHL-FQEVSTJZSA-N 1 3 380.492 3.225 20 0 GGADHO Cc1ccc(-c2n[nH]cc2CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)o1 ZINC000180984529 1430152627 /nfs/dbraw/zinc/15/26/27/1430152627.db2.gz NFKUYWGRPKXDHL-FQEVSTJZSA-N 1 3 380.492 3.225 20 0 GGADHO Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180999281 1430159294 /nfs/dbraw/zinc/15/92/94/1430159294.db2.gz ZMKYXHICVSRUNS-OAQYLSRUSA-N 1 3 381.520 3.290 20 0 GGADHO C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000181000439 1430160927 /nfs/dbraw/zinc/16/09/27/1430160927.db2.gz FOKBFASBZLZWDB-NRFANRHFSA-N 1 3 383.561 3.098 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccnc(SC(C)(C)C)c3)CC2)CC1 ZINC000181188639 1430242441 /nfs/dbraw/zinc/24/24/41/1430242441.db2.gz TZXNLAXXKSIVAQ-UHFFFAOYSA-N 1 3 390.597 3.261 20 0 GGADHO CCOc1cc(Cl)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000181188841 1430242890 /nfs/dbraw/zinc/24/28/90/1430242890.db2.gz IHGUOTQTCBWPJO-UHFFFAOYSA-N 1 3 379.932 3.027 20 0 GGADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181412722 1430291753 /nfs/dbraw/zinc/29/17/53/1430291753.db2.gz ROLYHLWVFCOVCQ-NDXORKPFSA-N 1 3 387.524 3.062 20 0 GGADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc(OC)c1OC ZINC000181418044 1430293321 /nfs/dbraw/zinc/29/33/21/1430293321.db2.gz SGDUUIYRVZSBCZ-SNRMKQJTSA-N 1 3 392.540 3.131 20 0 GGADHO COc1cc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc(OC)c1OC ZINC000181418021 1430293433 /nfs/dbraw/zinc/29/34/33/1430293433.db2.gz SGDUUIYRVZSBCZ-LZQZEXGQSA-N 1 3 392.540 3.131 20 0 GGADHO C[C@@H](NCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(O)c1 ZINC000181536940 1430316944 /nfs/dbraw/zinc/31/69/44/1430316944.db2.gz JKLDKRXSNXRFGT-MRXNPFEDSA-N 1 3 385.533 3.230 20 0 GGADHO C[C@@H]1CN(CC2CC[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC2)C[C@H](C)O1 ZINC000181675766 1430339748 /nfs/dbraw/zinc/33/97/48/1430339748.db2.gz PYTWQHZOZVWVBQ-KDURUIRLSA-N 1 3 393.616 3.092 20 0 GGADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000182031392 1430399205 /nfs/dbraw/zinc/39/92/05/1430399205.db2.gz IVXWAQABVSORIR-RBUKOAKNSA-N 1 3 387.572 3.171 20 0 GGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)ccc1OC ZINC000182215594 1430431101 /nfs/dbraw/zinc/43/11/01/1430431101.db2.gz NNAGINVXFSBGRC-GOSISDBHSA-N 1 3 377.573 3.298 20 0 GGADHO COCc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1OC ZINC000182261561 1430439089 /nfs/dbraw/zinc/43/90/89/1430439089.db2.gz SNPOHQJPDSFWNE-VGSWGCGISA-N 1 3 384.520 3.259 20 0 GGADHO COCc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1OC ZINC000182261561 1430439091 /nfs/dbraw/zinc/43/90/91/1430439091.db2.gz SNPOHQJPDSFWNE-VGSWGCGISA-N 1 3 384.520 3.259 20 0 GGADHO COCCOc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182263211 1430439354 /nfs/dbraw/zinc/43/93/54/1430439354.db2.gz SEVAGGNIWKBGGE-GCJKJVERSA-N 1 3 384.520 3.129 20 0 GGADHO COCCOc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182263211 1430439356 /nfs/dbraw/zinc/43/93/56/1430439356.db2.gz SEVAGGNIWKBGGE-GCJKJVERSA-N 1 3 384.520 3.129 20 0 GGADHO CC1CC[NH+](Cc2ccc(CN[C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2)CC1 ZINC000182266449 1430439830 /nfs/dbraw/zinc/43/98/30/1430439830.db2.gz CQDCPMVHNKRJOE-NHCUHLMSSA-N 1 3 378.582 3.364 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCCC2=O)cc1 ZINC000182272552 1430440857 /nfs/dbraw/zinc/44/08/57/1430440857.db2.gz AUYNSLLSKHZKKK-JPYJTQIMSA-N 1 3 393.531 3.231 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(N2CCCC2=O)cc1 ZINC000182272552 1430440860 /nfs/dbraw/zinc/44/08/60/1430440860.db2.gz AUYNSLLSKHZKKK-JPYJTQIMSA-N 1 3 393.531 3.231 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(N2CCCC2=O)c1 ZINC000182272616 1430441034 /nfs/dbraw/zinc/44/10/34/1430441034.db2.gz UFVXPSDFHMNDCV-JPYJTQIMSA-N 1 3 393.531 3.231 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(N2CCCC2=O)c1 ZINC000182272616 1430441037 /nfs/dbraw/zinc/44/10/37/1430441037.db2.gz UFVXPSDFHMNDCV-JPYJTQIMSA-N 1 3 393.531 3.231 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccsc1 ZINC000182329636 1430449371 /nfs/dbraw/zinc/44/93/71/1430449371.db2.gz RNKXBYHXUOCHRZ-NZSAHSFTSA-N 1 3 378.586 3.257 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccsc1 ZINC000182329636 1430449375 /nfs/dbraw/zinc/44/93/75/1430449375.db2.gz RNKXBYHXUOCHRZ-NZSAHSFTSA-N 1 3 378.586 3.257 20 0 GGADHO C[C@@H](CS(C)(=O)=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000182331720 1430449705 /nfs/dbraw/zinc/44/97/05/1430449705.db2.gz LRYMWXLQRYFFPF-SFHVURJKSA-N 1 3 386.561 3.472 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)N2CCCC2)cc1 ZINC000182528583 1430483949 /nfs/dbraw/zinc/48/39/49/1430483949.db2.gz BJRPSJNXXCDJBL-FSSWDIPSSA-N 1 3 384.568 3.258 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)N2CCCC2)cc1 ZINC000182528583 1430483952 /nfs/dbraw/zinc/48/39/52/1430483952.db2.gz BJRPSJNXXCDJBL-FSSWDIPSSA-N 1 3 384.568 3.258 20 0 GGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)N(C)Cc1ccccc1 ZINC000182634955 1430506575 /nfs/dbraw/zinc/50/65/75/1430506575.db2.gz ZTWGYCJPLGLTCT-IRFCIJBXSA-N 1 3 386.584 3.459 20 0 GGADHO C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)N(C)Cc1ccccc1 ZINC000182634955 1430506578 /nfs/dbraw/zinc/50/65/78/1430506578.db2.gz ZTWGYCJPLGLTCT-IRFCIJBXSA-N 1 3 386.584 3.459 20 0 GGADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1CN1CCCCC1 ZINC000182776513 1430537949 /nfs/dbraw/zinc/53/79/49/1430537949.db2.gz GBZAODOCQGVHHB-OXJNMPFZSA-N 1 3 383.540 3.247 20 0 GGADHO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)cc1CN1CCCCC1 ZINC000182855636 1430554389 /nfs/dbraw/zinc/55/43/89/1430554389.db2.gz ZHICILWTXKTICF-HSALFYBXSA-N 1 3 389.584 3.441 20 0 GGADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC2CCN(C(C)=O)CC2)ccc1OC ZINC000182856547 1430554705 /nfs/dbraw/zinc/55/47/05/1430554705.db2.gz WCNLFCDQOZWNOM-KRWDZBQOSA-N 1 3 375.557 3.446 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182869670 1430557829 /nfs/dbraw/zinc/55/78/29/1430557829.db2.gz GBHLWHCWLAZWHG-TZIWHRDSSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182869670 1430557837 /nfs/dbraw/zinc/55/78/37/1430557837.db2.gz GBHLWHCWLAZWHG-TZIWHRDSSA-N 1 3 386.584 3.413 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182930873 1430574228 /nfs/dbraw/zinc/57/42/28/1430574228.db2.gz HDRURKBZHWHPGZ-MSOLQXFVSA-N 1 3 376.545 3.006 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182930873 1430574236 /nfs/dbraw/zinc/57/42/36/1430574236.db2.gz HDRURKBZHWHPGZ-MSOLQXFVSA-N 1 3 376.545 3.006 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182930830 1430574448 /nfs/dbraw/zinc/57/44/48/1430574448.db2.gz HDRURKBZHWHPGZ-QZTJIDSGSA-N 1 3 376.545 3.006 20 0 GGADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182930830 1430574449 /nfs/dbraw/zinc/57/44/49/1430574449.db2.gz HDRURKBZHWHPGZ-QZTJIDSGSA-N 1 3 376.545 3.006 20 0 GGADHO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182962024 1430581258 /nfs/dbraw/zinc/58/12/58/1430581258.db2.gz ILFPFHOTYUIIDW-HXUWFJFHSA-N 1 3 387.568 3.455 20 0 GGADHO Cc1cc(C)c(NC(=O)CN2CCC(CCC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000182987947 1430586322 /nfs/dbraw/zinc/58/63/22/1430586322.db2.gz NQYNOIBKVAEOEK-UHFFFAOYSA-N 1 3 387.568 3.375 20 0 GGADHO COc1ccc([C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)cc1CN1CCCCC1 ZINC000183133702 1430624192 /nfs/dbraw/zinc/62/41/92/1430624192.db2.gz JUUGNAMTGHRESF-SJORKVTESA-N 1 3 382.570 3.155 20 0 GGADHO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000183214758 1430650004 /nfs/dbraw/zinc/65/00/04/1430650004.db2.gz PHVDWQUBQHBVFT-QGZVFWFLSA-N 1 3 375.557 3.494 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NCC[C@@H](C)[NH+]2CCCCC2)c(OC)c1 ZINC000183226468 1430652750 /nfs/dbraw/zinc/65/27/50/1430652750.db2.gz SUVKOIXCISOPSO-DLBZAZTESA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c(OC)c1 ZINC000183226468 1430652755 /nfs/dbraw/zinc/65/27/55/1430652755.db2.gz SUVKOIXCISOPSO-DLBZAZTESA-N 1 3 377.529 3.275 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000183226756 1430653289 /nfs/dbraw/zinc/65/32/89/1430653289.db2.gz XKBKRVZUAPKYFD-SJORKVTESA-N 1 3 375.513 3.044 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000183226756 1430653294 /nfs/dbraw/zinc/65/32/94/1430653294.db2.gz XKBKRVZUAPKYFD-SJORKVTESA-N 1 3 375.513 3.044 20 0 GGADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1cccc(OCC[NH+](C)C)c1 ZINC000183368923 1430692127 /nfs/dbraw/zinc/69/21/27/1430692127.db2.gz VCHJQPAJCJLXLX-XMMPIXPASA-N 1 3 397.563 3.099 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000183385875 1430697023 /nfs/dbraw/zinc/69/70/23/1430697023.db2.gz WRFYBGATXYHFOC-AWEZNQCLSA-N 1 3 375.513 3.089 20 0 GGADHO COc1ccc([C@@H](C)[NH2+]CCCNC(=O)C(C)C)cc1CN1CCCCC1 ZINC000183394600 1430700332 /nfs/dbraw/zinc/70/03/32/1430700332.db2.gz AQEJQKPAGNLUMY-GOSISDBHSA-N 1 3 375.557 3.494 20 0 GGADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)ccc1OC ZINC000183396613 1430700826 /nfs/dbraw/zinc/70/08/26/1430700826.db2.gz BVQHXMXFQOWEQB-MRXNPFEDSA-N 1 3 382.570 3.012 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000183544686 1430739156 /nfs/dbraw/zinc/73/91/56/1430739156.db2.gz FQTAADRUMDXLSL-MRXNPFEDSA-N 1 3 387.524 3.187 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000183544686 1430739158 /nfs/dbraw/zinc/73/91/58/1430739158.db2.gz FQTAADRUMDXLSL-MRXNPFEDSA-N 1 3 387.524 3.187 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000183623392 1430756908 /nfs/dbraw/zinc/75/69/08/1430756908.db2.gz VQOWABWEHKAOTM-ROUUACIJSA-N 1 3 389.540 3.148 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000183623392 1430756916 /nfs/dbraw/zinc/75/69/16/1430756916.db2.gz VQOWABWEHKAOTM-ROUUACIJSA-N 1 3 389.540 3.148 20 0 GGADHO CCN(C(=O)NC1CC[NH+](CC(C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184599748 1430914707 /nfs/dbraw/zinc/91/47/07/1430914707.db2.gz BJQIMWHODSDLGJ-QFIPXVFZSA-N 1 3 386.584 3.413 20 0 GGADHO CCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184605827 1430917415 /nfs/dbraw/zinc/91/74/15/1430917415.db2.gz OELCMKDFIQPGFA-QFIPXVFZSA-N 1 3 384.568 3.167 20 0 GGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000184742480 1430961326 /nfs/dbraw/zinc/96/13/26/1430961326.db2.gz WAJBUVMERHRDNB-ROUUACIJSA-N 1 3 397.588 3.379 20 0 GGADHO Cc1ccccc1CNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184744851 1430963045 /nfs/dbraw/zinc/96/30/45/1430963045.db2.gz PCPBLRIXEDFCGW-WOJBJXKFSA-N 1 3 379.548 3.357 20 0 GGADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000184745854 1430963235 /nfs/dbraw/zinc/96/32/35/1430963235.db2.gz OFMGWLICYLINIZ-PMACEKPBSA-N 1 3 391.559 3.318 20 0 GGADHO COc1ccccc1CNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184749492 1430964999 /nfs/dbraw/zinc/96/49/99/1430964999.db2.gz SXJYUNPGOQCBMI-RTBURBONSA-N 1 3 395.547 3.058 20 0 GGADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000184754545 1430967326 /nfs/dbraw/zinc/96/73/26/1430967326.db2.gz WCIYKPCDMCNKGL-QZTJIDSGSA-N 1 3 383.511 3.188 20 0 GGADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185164701 1431075744 /nfs/dbraw/zinc/07/57/44/1431075744.db2.gz WHUHAINPUAMMCK-UHFFFAOYSA-N 1 3 386.584 3.414 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185198579 1431083072 /nfs/dbraw/zinc/08/30/72/1431083072.db2.gz UEQAAFRIFQVZHP-UHFFFAOYSA-N 1 3 376.545 3.007 20 0 GGADHO C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Br)cc1[O-] ZINC000185353285 1431123902 /nfs/dbraw/zinc/12/39/02/1431123902.db2.gz GQQVCPOFVYUNTR-AWEZNQCLSA-N 1 3 384.362 3.079 20 0 GGADHO C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1[O-] ZINC000185353285 1431123904 /nfs/dbraw/zinc/12/39/04/1431123904.db2.gz GQQVCPOFVYUNTR-AWEZNQCLSA-N 1 3 384.362 3.079 20 0 GGADHO CCO[C@H](CCN(C)C)C[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185670670 1431201517 /nfs/dbraw/zinc/20/15/17/1431201517.db2.gz GJIBBEVWCVZSII-GIVPXCGWSA-N 1 3 396.597 3.026 20 0 GGADHO C[C@H](NC[C@H](O)COCc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185733378 1431218605 /nfs/dbraw/zinc/21/86/05/1431218605.db2.gz NUMPTASHWXBNDB-ZWOKBUDYSA-N 1 3 380.960 3.460 20 0 GGADHO C[C@H](NC[C@H](O)COCc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185733378 1431218614 /nfs/dbraw/zinc/21/86/14/1431218614.db2.gz NUMPTASHWXBNDB-ZWOKBUDYSA-N 1 3 380.960 3.460 20 0 GGADHO C[C@H]([NH2+]C[C@H](O)COCc1ccccc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000185733378 1431218620 /nfs/dbraw/zinc/21/86/20/1431218620.db2.gz NUMPTASHWXBNDB-ZWOKBUDYSA-N 1 3 380.960 3.460 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(Cc4ccccc4)CCCC3)CC2)CC1 ZINC000185812754 1431242227 /nfs/dbraw/zinc/24/22/27/1431242227.db2.gz QMLZVGLUYSDCQH-UHFFFAOYSA-N 1 3 398.595 3.400 20 0 GGADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187003794 1431586982 /nfs/dbraw/zinc/58/69/82/1431586982.db2.gz PRQDINZTTJBEIR-HUUCEWRRSA-N 1 3 384.362 3.140 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000187018985 1431591790 /nfs/dbraw/zinc/59/17/90/1431591790.db2.gz GOWQWCDNCJZXRE-UWVAXJGDSA-N 1 3 395.975 3.071 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187159733 1431634574 /nfs/dbraw/zinc/63/45/74/1431634574.db2.gz HWEYDZNZNSIMEV-GOEBONIOSA-N 1 3 398.389 3.387 20 0 GGADHO CN1c2ccc(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)cc2CCC1=O ZINC000187198112 1431644466 /nfs/dbraw/zinc/64/44/66/1431644466.db2.gz LZWIFGDBLUODHX-OAQYLSRUSA-N 1 3 377.532 3.250 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187204542 1431646670 /nfs/dbraw/zinc/64/66/70/1431646670.db2.gz RYNAALSBYIQTTO-IBGZPJMESA-N 1 3 382.552 3.120 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)c2)CC1 ZINC000187405681 1431721042 /nfs/dbraw/zinc/72/10/42/1431721042.db2.gz FJSUOGKKXKYRDH-LJQANCHMSA-N 1 3 384.568 3.422 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)c2)CC1 ZINC000187405681 1431721048 /nfs/dbraw/zinc/72/10/48/1431721048.db2.gz FJSUOGKKXKYRDH-LJQANCHMSA-N 1 3 384.568 3.422 20 0 GGADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000187473676 1431742495 /nfs/dbraw/zinc/74/24/95/1431742495.db2.gz YSQWFMBCQAKSNH-JOCHJYFZSA-N 1 3 386.584 3.413 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)c2)CC1 ZINC000188859760 1431999693 /nfs/dbraw/zinc/99/96/93/1431999693.db2.gz BMRZRPCCWVJNPS-HXUWFJFHSA-N 1 3 399.583 3.168 20 0 GGADHO C[NH+](C)CCC1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000188864366 1432000802 /nfs/dbraw/zinc/00/08/02/1432000802.db2.gz IYZVEDARDLFSME-HXUWFJFHSA-N 1 3 379.495 3.120 20 0 GGADHO C[NH+](C)CCC1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000188864387 1432001029 /nfs/dbraw/zinc/00/10/29/1432001029.db2.gz IYZVEDARDLFSME-FQEVSTJZSA-N 1 3 379.495 3.120 20 0 GGADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000189004288 1432025498 /nfs/dbraw/zinc/02/54/98/1432025498.db2.gz OPIFPHSJTMQZTJ-LMDPOFIKSA-N 1 3 383.536 3.448 20 0 GGADHO CC1CCN(CCC[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000189007385 1432025727 /nfs/dbraw/zinc/02/57/27/1432025727.db2.gz CFGDDPWUJALEKZ-UHFFFAOYSA-N 1 3 383.536 3.305 20 0 GGADHO Cc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(OCC[NH+](C)C)cc3)C2=O)cc1 ZINC000189100105 1432045213 /nfs/dbraw/zinc/04/52/13/1432045213.db2.gz SEOUAZKUKGAGJA-AUSIDOKSSA-N 1 3 395.547 3.387 20 0 GGADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189150674 1432052770 /nfs/dbraw/zinc/05/27/70/1432052770.db2.gz OENNIVARYYXGAS-VIQWUECVSA-N 1 3 383.536 3.304 20 0 GGADHO CC(C)N1CCC[C@H](C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189150654 1432053031 /nfs/dbraw/zinc/05/30/31/1432053031.db2.gz OENNIVARYYXGAS-LMDPOFIKSA-N 1 3 383.536 3.304 20 0 GGADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](C)C1 ZINC000189209086 1432063946 /nfs/dbraw/zinc/06/39/46/1432063946.db2.gz RHYIRWGVSJGZGW-XMSQKQJNSA-N 1 3 388.531 3.297 20 0 GGADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)CC2)CC1 ZINC000189781638 1432233557 /nfs/dbraw/zinc/23/35/57/1432233557.db2.gz JLHHGRPGTXBNQT-UNMCSNQZSA-N 1 3 398.595 3.256 20 0 GGADHO CC(C)N1CCN(CCC[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC000189929757 1432277895 /nfs/dbraw/zinc/27/78/95/1432277895.db2.gz GMYKWASNMXZMDE-IBGZPJMESA-N 1 3 396.620 3.028 20 0 GGADHO CCN(CCC[NH+]1CCCC1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000190224946 1432344635 /nfs/dbraw/zinc/34/46/35/1432344635.db2.gz WDTWVKBQVTVPAZ-LJQANCHMSA-N 1 3 387.572 3.124 20 0 GGADHO CC(C)c1cccc2c1CCN(C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)C2 ZINC000190438800 1432382252 /nfs/dbraw/zinc/38/22/52/1432382252.db2.gz WDPDOVKPFAWFEM-UHFFFAOYSA-N 1 3 398.595 3.436 20 0 GGADHO CC(C)N(C)c1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000190968081 1432539829 /nfs/dbraw/zinc/53/98/29/1432539829.db2.gz CPNVYTMWRXYILY-UHFFFAOYSA-N 1 3 382.552 3.173 20 0 GGADHO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000191339297 1432636586 /nfs/dbraw/zinc/63/65/86/1432636586.db2.gz XPECVPSQFKWCQC-UHFFFAOYSA-N 1 3 378.586 3.083 20 0 GGADHO COc1ccccc1CN(CCCN1CC[NH+](C(C)C)CC1)C[C@@H]1CCCO1 ZINC000191436547 1432661611 /nfs/dbraw/zinc/66/16/11/1432661611.db2.gz GSHUWBLZENYFSU-QFIPXVFZSA-N 1 3 389.584 3.092 20 0 GGADHO CC(C)C[N@H+](CCCN1CCN(C(C)C)CC1)C[C@@H](O)c1ccc(F)cc1 ZINC000191510641 1432675816 /nfs/dbraw/zinc/67/58/16/1432675816.db2.gz MNVOHBKRXFIKAE-JOCHJYFZSA-N 1 3 379.564 3.233 20 0 GGADHO CC(C)C[N@@H+](CCCN1CCN(C(C)C)CC1)C[C@@H](O)c1ccc(F)cc1 ZINC000191510641 1432675825 /nfs/dbraw/zinc/67/58/25/1432675825.db2.gz MNVOHBKRXFIKAE-JOCHJYFZSA-N 1 3 379.564 3.233 20 0 GGADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)CC1CCN(c2ccccn2)CC1 ZINC000191519595 1432677703 /nfs/dbraw/zinc/67/77/03/1432677703.db2.gz JRBDVTNNQQTAKT-UHFFFAOYSA-N 1 3 387.616 3.036 20 0 GGADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)CC1CCN(c2ccccn2)CC1 ZINC000191519595 1432677706 /nfs/dbraw/zinc/67/77/06/1432677706.db2.gz JRBDVTNNQQTAKT-UHFFFAOYSA-N 1 3 387.616 3.036 20 0 GGADHO COc1ccc2c(c1)[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)CCS2 ZINC000191532749 1432679266 /nfs/dbraw/zinc/67/92/66/1432679266.db2.gz LKNMTUYHQCSFGL-FQEVSTJZSA-N 1 3 399.560 3.313 20 0 GGADHO CCOC(=O)c1csc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000191561814 1432683123 /nfs/dbraw/zinc/68/31/23/1432683123.db2.gz FBYGYJXUZMREGB-GBESFXJTSA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000191561814 1432683126 /nfs/dbraw/zinc/68/31/26/1432683126.db2.gz FBYGYJXUZMREGB-GBESFXJTSA-N 1 3 399.560 3.363 20 0 GGADHO CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000191561814 1432683129 /nfs/dbraw/zinc/68/31/29/1432683129.db2.gz FBYGYJXUZMREGB-GBESFXJTSA-N 1 3 399.560 3.363 20 0 GGADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000192232422 1432820378 /nfs/dbraw/zinc/82/03/78/1432820378.db2.gz VWCHSXOCSAJOQX-GGAORHGYSA-N 1 3 399.579 3.048 20 0 GGADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000192232422 1432820380 /nfs/dbraw/zinc/82/03/80/1432820380.db2.gz VWCHSXOCSAJOQX-GGAORHGYSA-N 1 3 399.579 3.048 20 0 GGADHO COc1ccccc1COC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192783482 1432890303 /nfs/dbraw/zinc/89/03/03/1432890303.db2.gz OIUHNAGRQCYVIP-UHFFFAOYSA-N 1 3 389.584 3.092 20 0 GGADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000192848520 1432898613 /nfs/dbraw/zinc/89/86/13/1432898613.db2.gz SDZVIQXPFAZPKT-VQTJNVASSA-N 1 3 383.939 3.315 20 0 GGADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000192958340 1432913083 /nfs/dbraw/zinc/91/30/83/1432913083.db2.gz PBDDZYAPJSDNGT-QHCPKHFHSA-N 1 3 394.563 3.296 20 0 GGADHO O=C1c2ccccc2CCN1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193336622 1432981770 /nfs/dbraw/zinc/98/17/70/1432981770.db2.gz LQEYWDICFKEMTK-NOTZXAQLSA-N 1 3 389.543 3.470 20 0 GGADHO O=C1c2ccccc2CCN1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193336622 1432981772 /nfs/dbraw/zinc/98/17/72/1432981772.db2.gz LQEYWDICFKEMTK-NOTZXAQLSA-N 1 3 389.543 3.470 20 0 GGADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193831466 1433068676 /nfs/dbraw/zinc/06/86/76/1433068676.db2.gz GMSAHOSMCHXXAE-UHFFFAOYSA-N 1 3 378.536 3.162 20 0 GGADHO Cn1cc(C[NH2+]C2CCN(CC3CC3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000194062672 1433110149 /nfs/dbraw/zinc/11/01/49/1433110149.db2.gz KSXHKQVTOQYUNA-UHFFFAOYSA-N 1 3 396.535 3.212 20 0 GGADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(C2CCCCC2)CC1 ZINC000194420571 1433175183 /nfs/dbraw/zinc/17/51/83/1433175183.db2.gz KWAVBVKLFWNHGL-OAQYLSRUSA-N 1 3 384.568 3.168 20 0 GGADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(C2CCCCC2)CC1 ZINC000194420571 1433175184 /nfs/dbraw/zinc/17/51/84/1433175184.db2.gz KWAVBVKLFWNHGL-OAQYLSRUSA-N 1 3 384.568 3.168 20 0 GGADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)N2CCCC2)cc1 ZINC000194685869 1433215451 /nfs/dbraw/zinc/21/54/51/1433215451.db2.gz KXJBBMOPNXXFMU-JOCHJYFZSA-N 1 3 384.568 3.306 20 0 GGADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)N2CCCC2)cc1 ZINC000194685888 1433215520 /nfs/dbraw/zinc/21/55/20/1433215520.db2.gz KXJBBMOPNXXFMU-QFIPXVFZSA-N 1 3 384.568 3.306 20 0 GGADHO COc1cccc2c1CCC[C@H]2NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000194879962 1433255233 /nfs/dbraw/zinc/25/52/33/1433255233.db2.gz AHEPABAYZFJRLU-OAQYLSRUSA-N 1 3 381.520 3.154 20 0 GGADHO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000194925816 1433265878 /nfs/dbraw/zinc/26/58/78/1433265878.db2.gz PZQAFBRNOATMAH-GOSISDBHSA-N 1 3 375.532 3.417 20 0 GGADHO COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000195132923 1433297062 /nfs/dbraw/zinc/29/70/62/1433297062.db2.gz MAJXMGLLTAWWSN-ICSRJNTNSA-N 1 3 382.504 3.411 20 0 GGADHO COc1ccc(Cl)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341868 1433320734 /nfs/dbraw/zinc/32/07/34/1433320734.db2.gz HPCCWSFDXLYVSU-UHFFFAOYSA-N 1 3 380.920 3.029 20 0 GGADHO CCCOc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000195344109 1433321043 /nfs/dbraw/zinc/32/10/43/1433321043.db2.gz MRDRMGMZODYAPG-UHFFFAOYSA-N 1 3 388.556 3.464 20 0 GGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000195382933 1433324548 /nfs/dbraw/zinc/32/45/48/1433324548.db2.gz OLTIJMXFDCTPIC-UHFFFAOYSA-N 1 3 392.975 3.288 20 0 GGADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000195383424 1433324652 /nfs/dbraw/zinc/32/46/52/1433324652.db2.gz XRYKWJAJEPEAQV-UHFFFAOYSA-N 1 3 396.526 3.301 20 0 GGADHO CCC(CC)(C[NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000236655557 1433375302 /nfs/dbraw/zinc/37/53/02/1433375302.db2.gz QWEFDQQGBHOASK-UHFFFAOYSA-N 1 3 381.948 3.065 20 0 GGADHO c1ncn(-c2ccc(CNCc3ccc(OCC[NH+]4CCCC4)cc3)cc2)n1 ZINC000236655100 1433375353 /nfs/dbraw/zinc/37/53/53/1433375353.db2.gz OTZCZNSJUGZHNO-UHFFFAOYSA-N 1 3 377.492 3.032 20 0 GGADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3cccc4c3OCO4)CC2)cc1 ZINC000236698208 1433376163 /nfs/dbraw/zinc/37/61/63/1433376163.db2.gz GSHVDHWXHYHCTB-UHFFFAOYSA-N 1 3 381.520 3.103 20 0 GGADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3cccc4c3OCCO4)CC2)cc1 ZINC000236698163 1433376222 /nfs/dbraw/zinc/37/62/22/1433376222.db2.gz SZLOIOJTIMSNEA-UHFFFAOYSA-N 1 3 395.547 3.145 20 0 GGADHO CC(C)[C@H](C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)N1CCCCC1 ZINC000236807281 1433379344 /nfs/dbraw/zinc/37/93/44/1433379344.db2.gz TVQGMYUBCOQWIC-HXUWFJFHSA-N 1 3 387.524 3.044 20 0 GGADHO CCN1CCN(CCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000236838675 1433380630 /nfs/dbraw/zinc/38/06/30/1433380630.db2.gz SAQYLMRMRYFLHX-UHFFFAOYSA-N 1 3 395.595 3.342 20 0 GGADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000236883078 1433382017 /nfs/dbraw/zinc/38/20/17/1433382017.db2.gz RAFHSLOFSITQHV-AWEZNQCLSA-N 1 3 375.891 3.305 20 0 GGADHO COc1ccc([C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)N2CCCC2)cc1 ZINC000237325519 1433397510 /nfs/dbraw/zinc/39/75/10/1433397510.db2.gz CBOSOVJSRYRNEP-BULFRSBZSA-N 1 3 381.520 3.284 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3cccc4[nH]ccc43)c2)C1 ZINC000237922509 1433434735 /nfs/dbraw/zinc/43/47/35/1433434735.db2.gz DLRJMEXXDQGKCG-HXUWFJFHSA-N 1 3 376.504 3.155 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc4[nH]ccc43)c2)C1 ZINC000237922509 1433434736 /nfs/dbraw/zinc/43/47/36/1433434736.db2.gz DLRJMEXXDQGKCG-HXUWFJFHSA-N 1 3 376.504 3.155 20 0 GGADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3cccc4cc[nH]c43)c2)C1 ZINC000237922552 1433434741 /nfs/dbraw/zinc/43/47/41/1433434741.db2.gz GKAMDYRAFNHIBU-OAQYLSRUSA-N 1 3 376.504 3.155 20 0 GGADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc4cc[nH]c43)c2)C1 ZINC000237922552 1433434742 /nfs/dbraw/zinc/43/47/42/1433434742.db2.gz GKAMDYRAFNHIBU-OAQYLSRUSA-N 1 3 376.504 3.155 20 0 GGADHO Cn1cncc1C[NH2+]CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237926402 1433435141 /nfs/dbraw/zinc/43/51/41/1433435141.db2.gz HFLMFJZUUWOXHD-UHFFFAOYSA-N 1 3 395.473 3.131 20 0 GGADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3cccc4cc[nH]c43)c2)C1 ZINC000237939418 1433435919 /nfs/dbraw/zinc/43/59/19/1433435919.db2.gz GKAMDYRAFNHIBU-NRFANRHFSA-N 1 3 376.504 3.155 20 0 GGADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3cccc4cc[nH]c43)c2)C1 ZINC000237939418 1433435923 /nfs/dbraw/zinc/43/59/23/1433435923.db2.gz GKAMDYRAFNHIBU-NRFANRHFSA-N 1 3 376.504 3.155 20 0 GGADHO [NH3+][C@@H](CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000238016176 1433439611 /nfs/dbraw/zinc/43/96/11/1433439611.db2.gz OEKQPZIVZZAXLI-ICSRJNTNSA-N 1 3 391.437 3.257 20 0 GGADHO N[C@@H](Cc1ccccc1)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000238082889 1433442545 /nfs/dbraw/zinc/44/25/45/1433442545.db2.gz MFLSKRIYFCVLKD-DEOSSOPVSA-N 1 3 393.575 3.408 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C[C@@H](C)O1 ZINC000245552670 1433484052 /nfs/dbraw/zinc/48/40/52/1433484052.db2.gz QOWZBZNXQLLMIG-KGEPEWOVSA-N 1 3 395.588 3.396 20 0 GGADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000245587914 1433488344 /nfs/dbraw/zinc/48/83/44/1433488344.db2.gz APEALCAWCLEXEH-QZTJIDSGSA-N 1 3 378.586 3.258 20 0 GGADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000245587914 1433488346 /nfs/dbraw/zinc/48/83/46/1433488346.db2.gz APEALCAWCLEXEH-QZTJIDSGSA-N 1 3 378.586 3.258 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)N2CCCC2)cc1 ZINC000245883731 1433533934 /nfs/dbraw/zinc/53/39/34/1433533934.db2.gz BJRPSJNXXCDJBL-BDTNDASRSA-N 1 3 384.568 3.258 20 0 GGADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)N2CCCC2)cc1 ZINC000245883731 1433533941 /nfs/dbraw/zinc/53/39/41/1433533941.db2.gz BJRPSJNXXCDJBL-BDTNDASRSA-N 1 3 384.568 3.258 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000245896461 1433536560 /nfs/dbraw/zinc/53/65/60/1433536560.db2.gz DBMGERDWVRDHNH-ZSYWTGECSA-N 1 3 383.577 3.159 20 0 GGADHO C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245945982 1433548824 /nfs/dbraw/zinc/54/88/24/1433548824.db2.gz NVEFXRXRTFUFDA-QRVBRYPASA-N 1 3 387.572 3.027 20 0 GGADHO C[C@H](CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000245945982 1433548825 /nfs/dbraw/zinc/54/88/25/1433548825.db2.gz NVEFXRXRTFUFDA-QRVBRYPASA-N 1 3 387.572 3.027 20 0 GGADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C[C@@H](C)O1 ZINC000245975012 1433552528 /nfs/dbraw/zinc/55/25/28/1433552528.db2.gz ONSWQLHDMRDKHH-NCXUSEDFSA-N 1 3 383.577 3.111 20 0 GGADHO COCCOc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000246294864 1433591076 /nfs/dbraw/zinc/59/10/76/1433591076.db2.gz CQGDZTPDFOGFBP-BULFRSBZSA-N 1 3 376.541 3.130 20 0 GGADHO c1ccc(-c2nnn(CCCCCN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000246441757 1433613661 /nfs/dbraw/zinc/61/36/61/1433613661.db2.gz DGAGIQABMHPXAM-UNMCSNQZSA-N 1 3 394.567 3.459 20 0 GGADHO c1ccc(-c2nnn(CCCCCN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000246441757 1433613662 /nfs/dbraw/zinc/61/36/62/1433613662.db2.gz DGAGIQABMHPXAM-UNMCSNQZSA-N 1 3 394.567 3.459 20 0 GGADHO O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246542582 1433628671 /nfs/dbraw/zinc/62/86/71/1433628671.db2.gz JYCPHTHWAFMFGY-NAMDQGSHSA-N 1 3 384.564 3.390 20 0 GGADHO O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246542582 1433628674 /nfs/dbraw/zinc/62/86/74/1433628674.db2.gz JYCPHTHWAFMFGY-NAMDQGSHSA-N 1 3 384.564 3.390 20 0 GGADHO CS[C@@H]1CCCCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000246546065 1433628845 /nfs/dbraw/zinc/62/88/45/1433628845.db2.gz KEDPHPVZERCBKK-WIYYLYMNSA-N 1 3 389.609 3.373 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000246579689 1433634468 /nfs/dbraw/zinc/63/44/68/1433634468.db2.gz ZSEVEIKWXIPEFS-RBBKRZOGSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)C1 ZINC000246579689 1433634471 /nfs/dbraw/zinc/63/44/71/1433634471.db2.gz ZSEVEIKWXIPEFS-RBBKRZOGSA-N 1 3 386.584 3.413 20 0 GGADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC[C@@H]21 ZINC000246710679 1433653696 /nfs/dbraw/zinc/65/36/96/1433653696.db2.gz FFDYWEHTGVGFNE-FGTMMUONSA-N 1 3 376.570 3.011 20 0 GGADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC[C@@H]21 ZINC000246710679 1433653698 /nfs/dbraw/zinc/65/36/98/1433653698.db2.gz FFDYWEHTGVGFNE-FGTMMUONSA-N 1 3 376.570 3.011 20 0 GGADHO COC(=O)COc1c(C)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000246761436 1433661606 /nfs/dbraw/zinc/66/16/06/1433661606.db2.gz POBNJTJAMALTOX-PZJWPPBQSA-N 1 3 386.536 3.304 20 0 GGADHO COC(=O)COc1c(C)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000246761436 1433661609 /nfs/dbraw/zinc/66/16/09/1433661609.db2.gz POBNJTJAMALTOX-PZJWPPBQSA-N 1 3 386.536 3.304 20 0 GGADHO COC(=O)COc1c(C)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C ZINC000246761403 1433661701 /nfs/dbraw/zinc/66/17/01/1433661701.db2.gz POBNJTJAMALTOX-FPOVZHCZSA-N 1 3 386.536 3.304 20 0 GGADHO COC(=O)COc1c(C)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000246761403 1433661703 /nfs/dbraw/zinc/66/17/03/1433661703.db2.gz POBNJTJAMALTOX-FPOVZHCZSA-N 1 3 386.536 3.304 20 0 GGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000246910026 1433686522 /nfs/dbraw/zinc/68/65/22/1433686522.db2.gz FVLSHXWQUBBSSB-FGTMMUONSA-N 1 3 375.513 3.183 20 0 GGADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000246910056 1433686545 /nfs/dbraw/zinc/68/65/45/1433686545.db2.gz FVLSHXWQUBBSSB-KZNAEPCWSA-N 1 3 375.513 3.183 20 0 GGADHO C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 ZINC000247251646 1433696561 /nfs/dbraw/zinc/69/65/61/1433696561.db2.gz ZYKKUEUYROBXJD-NJAFHUGGSA-N 1 3 383.458 3.135 20 0 GGADHO C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CCN1Cc1ccccc1 ZINC000247251646 1433696563 /nfs/dbraw/zinc/69/65/63/1433696563.db2.gz ZYKKUEUYROBXJD-NJAFHUGGSA-N 1 3 383.458 3.135 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccsc1 ZINC000247260025 1433697465 /nfs/dbraw/zinc/69/74/65/1433697465.db2.gz RPIGETCCQNBPMJ-YTQUADARSA-N 1 3 378.586 3.257 20 0 GGADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccsc1 ZINC000247260025 1433697473 /nfs/dbraw/zinc/69/74/73/1433697473.db2.gz RPIGETCCQNBPMJ-YTQUADARSA-N 1 3 378.586 3.257 20 0 GGADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000247271978 1433698519 /nfs/dbraw/zinc/69/85/19/1433698519.db2.gz RGZAAEOFNNGMJX-FXAWDEMLSA-N 1 3 376.545 3.007 20 0 GGADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000247271978 1433698520 /nfs/dbraw/zinc/69/85/20/1433698520.db2.gz RGZAAEOFNNGMJX-FXAWDEMLSA-N 1 3 376.545 3.007 20 0 GGADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000247292507 1433701196 /nfs/dbraw/zinc/70/11/96/1433701196.db2.gz UNAPDHMOCNOJBK-IFMALSPDSA-N 1 3 386.584 3.413 20 0 GGADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000247292507 1433701200 /nfs/dbraw/zinc/70/12/00/1433701200.db2.gz UNAPDHMOCNOJBK-IFMALSPDSA-N 1 3 386.584 3.413 20 0 GGADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000247328384 1433707056 /nfs/dbraw/zinc/70/70/56/1433707056.db2.gz MFWNNXADTDSKAD-RBBKRZOGSA-N 1 3 386.584 3.443 20 0 GGADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)C1 ZINC000247328384 1433707064 /nfs/dbraw/zinc/70/70/64/1433707064.db2.gz MFWNNXADTDSKAD-RBBKRZOGSA-N 1 3 386.584 3.443 20 0 GGADHO Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CC[C@@H](CN(C)C)C2)c2ccccc2)cc1 ZINC000247516357 1433732633 /nfs/dbraw/zinc/73/26/33/1433732633.db2.gz WIFRYPABMYXVDI-TUACAJSNSA-N 1 3 382.548 3.345 20 0 GGADHO Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CC[C@@H](CN(C)C)C2)c2ccccc2)cc1 ZINC000247516357 1433732639 /nfs/dbraw/zinc/73/26/39/1433732639.db2.gz WIFRYPABMYXVDI-TUACAJSNSA-N 1 3 382.548 3.345 20 0 GGADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000247523706 1433732953 /nfs/dbraw/zinc/73/29/53/1433732953.db2.gz ZHBRPRWXHFPQSG-IFMALSPDSA-N 1 3 386.584 3.270 20 0 GGADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)C1 ZINC000247523706 1433732960 /nfs/dbraw/zinc/73/29/60/1433732960.db2.gz ZHBRPRWXHFPQSG-IFMALSPDSA-N 1 3 386.584 3.270 20 0 GGADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000248010063 1433763011 /nfs/dbraw/zinc/76/30/11/1433763011.db2.gz LEXPZHGVMGDJJZ-NFBKMPQASA-N 1 3 393.531 3.170 20 0 GGADHO COc1ccc2c(c1)[C@H](NCc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000248010063 1433763012 /nfs/dbraw/zinc/76/30/12/1433763012.db2.gz LEXPZHGVMGDJJZ-NFBKMPQASA-N 1 3 393.531 3.170 20 0 GGADHO C[C@H]1C[C@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CN1C1CC1 ZINC000248035655 1433765019 /nfs/dbraw/zinc/76/50/19/1433765019.db2.gz RLRFSHKJOPMZBW-HBFSDRIKSA-N 1 3 376.589 3.298 20 0 GGADHO C[C@H]1C[C@H](NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CN1C1CC1 ZINC000248035655 1433765026 /nfs/dbraw/zinc/76/50/26/1433765026.db2.gz RLRFSHKJOPMZBW-HBFSDRIKSA-N 1 3 376.589 3.298 20 0 GGADHO Cc1ccc2c(c1)[C@H](NCc1cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000248137791 1433773236 /nfs/dbraw/zinc/77/32/36/1433773236.db2.gz PFYBIDBZJXSQDT-FYYLOGMGSA-N 1 3 377.532 3.469 20 0 GGADHO Cc1ccc2c(c1)[C@H](NCc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000248137791 1433773238 /nfs/dbraw/zinc/77/32/38/1433773238.db2.gz PFYBIDBZJXSQDT-FYYLOGMGSA-N 1 3 377.532 3.469 20 0 GGADHO CCCN1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000248179724 1433778131 /nfs/dbraw/zinc/77/81/31/1433778131.db2.gz XTEZLAOGMPMVBA-NHCUHLMSSA-N 1 3 375.557 3.459 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000248392129 1433793967 /nfs/dbraw/zinc/79/39/67/1433793967.db2.gz VQOWABWEHKAOTM-MSOLQXFVSA-N 1 3 389.540 3.148 20 0 GGADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000248392129 1433793976 /nfs/dbraw/zinc/79/39/76/1433793976.db2.gz VQOWABWEHKAOTM-MSOLQXFVSA-N 1 3 389.540 3.148 20 0 GGADHO Cc1cccc(CNC(=O)C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000248398563 1433796360 /nfs/dbraw/zinc/79/63/60/1433796360.db2.gz NKUHECCRIWCFDE-GZOXUSKESA-N 1 3 379.548 3.357 20 0 GGADHO CC(C)(C)S(=O)(=O)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248400194 1433797240 /nfs/dbraw/zinc/79/72/40/1433797240.db2.gz KQXKHXUEZVZUAB-VAMGGRTRSA-N 1 3 378.582 3.090 20 0 GGADHO CC(C)(C)S(=O)(=O)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248400194 1433797244 /nfs/dbraw/zinc/79/72/44/1433797244.db2.gz KQXKHXUEZVZUAB-VAMGGRTRSA-N 1 3 378.582 3.090 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1F ZINC000248409065 1433800154 /nfs/dbraw/zinc/80/01/54/1433800154.db2.gz WHOLOVCTEIMLEQ-IEIRFRATSA-N 1 3 395.522 3.446 20 0 GGADHO O=C(NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1F ZINC000248409065 1433800155 /nfs/dbraw/zinc/80/01/55/1433800155.db2.gz WHOLOVCTEIMLEQ-IEIRFRATSA-N 1 3 395.522 3.446 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000248430239 1433802012 /nfs/dbraw/zinc/80/20/12/1433802012.db2.gz BNJZKCNXLAWCRQ-LAUBAEHRSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)OCCCO2 ZINC000248430239 1433802015 /nfs/dbraw/zinc/80/20/15/1433802015.db2.gz BNJZKCNXLAWCRQ-LAUBAEHRSA-N 1 3 382.504 3.265 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc([S@@](C)=O)cc1 ZINC000248430383 1433802058 /nfs/dbraw/zinc/80/20/58/1433802058.db2.gz BRWLWVHTOQOPDS-SJQPRBQBSA-N 1 3 386.561 3.232 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc([S@@](C)=O)cc1 ZINC000248430383 1433802059 /nfs/dbraw/zinc/80/20/59/1433802059.db2.gz BRWLWVHTOQOPDS-SJQPRBQBSA-N 1 3 386.561 3.232 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(N2CCCC2=O)c1 ZINC000248457832 1433804218 /nfs/dbraw/zinc/80/42/18/1433804218.db2.gz UFVXPSDFHMNDCV-WZONZLPQSA-N 1 3 393.531 3.231 20 0 GGADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(N2CCCC2=O)c1 ZINC000248457832 1433804220 /nfs/dbraw/zinc/80/42/20/1433804220.db2.gz UFVXPSDFHMNDCV-WZONZLPQSA-N 1 3 393.531 3.231 20 0 GGADHO CC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248456665 1433804284 /nfs/dbraw/zinc/80/42/84/1433804284.db2.gz SKJFNDSGNOFIDQ-SBUREZEXSA-N 1 3 381.520 3.453 20 0 GGADHO CC(=O)Nc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248456665 1433804285 /nfs/dbraw/zinc/80/42/85/1433804285.db2.gz SKJFNDSGNOFIDQ-SBUREZEXSA-N 1 3 381.520 3.453 20 0 GGADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(N2CCCC2=O)c1 ZINC000248457830 1433804330 /nfs/dbraw/zinc/80/43/30/1433804330.db2.gz UFVXPSDFHMNDCV-FDDCHVKYSA-N 1 3 393.531 3.231 20 0 GGADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(N2CCCC2=O)c1 ZINC000248457830 1433804331 /nfs/dbraw/zinc/80/43/31/1433804331.db2.gz UFVXPSDFHMNDCV-FDDCHVKYSA-N 1 3 393.531 3.231 20 0 GGADHO CCO[C@H](CCN(C)C)C[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000248487896 1433805654 /nfs/dbraw/zinc/80/56/54/1433805654.db2.gz GJIBBEVWCVZSII-HLAWJBBLSA-N 1 3 396.597 3.026 20 0 GGADHO CCO[C@H](CCN(C)C)C[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000248487898 1433805667 /nfs/dbraw/zinc/80/56/67/1433805667.db2.gz GJIBBEVWCVZSII-HMXCVIKNSA-N 1 3 396.597 3.026 20 0 GGADHO Cc1cc2ncn(C[C@H](O)CN[C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c2cc1C ZINC000248549405 1433807837 /nfs/dbraw/zinc/80/78/37/1433807837.db2.gz FYDFOTOHFTWOOG-IRFCIJBXSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@H](O)CN[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c2cc1C ZINC000248549405 1433807838 /nfs/dbraw/zinc/80/78/38/1433807838.db2.gz FYDFOTOHFTWOOG-IRFCIJBXSA-N 1 3 384.568 3.257 20 0 GGADHO Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H](C)[C@H]3CCCN(C4CCC4)C3)c2cc1C ZINC000248549405 1433807841 /nfs/dbraw/zinc/80/78/41/1433807841.db2.gz FYDFOTOHFTWOOG-IRFCIJBXSA-N 1 3 384.568 3.257 20 0 GGADHO CCOc1ccc(OC[C@H](O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248568691 1433808853 /nfs/dbraw/zinc/80/88/53/1433808853.db2.gz LNUBQHIOKIPYPD-CMKODMSKSA-N 1 3 376.541 3.068 20 0 GGADHO CCOc1ccc(OC[C@H](O)CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248568691 1433808855 /nfs/dbraw/zinc/80/88/55/1433808855.db2.gz LNUBQHIOKIPYPD-CMKODMSKSA-N 1 3 376.541 3.068 20 0 GGADHO C[C@H](NC[C@@H](O)COCc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248577650 1433809510 /nfs/dbraw/zinc/80/95/10/1433809510.db2.gz NUMPTASHWXBNDB-SQGPQFPESA-N 1 3 380.960 3.460 20 0 GGADHO C[C@H](NC[C@@H](O)COCc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248577650 1433809511 /nfs/dbraw/zinc/80/95/11/1433809511.db2.gz NUMPTASHWXBNDB-SQGPQFPESA-N 1 3 380.960 3.460 20 0 GGADHO C[C@H]([NH2+]C[C@@H](O)COCc1ccccc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000248577650 1433809512 /nfs/dbraw/zinc/80/95/12/1433809512.db2.gz NUMPTASHWXBNDB-SQGPQFPESA-N 1 3 380.960 3.460 20 0 GGADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248770477 1433821599 /nfs/dbraw/zinc/82/15/99/1433821599.db2.gz XZHFBWIJJYYLOB-QYZOEREBSA-N 1 3 383.577 3.111 20 0 GGADHO O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248788240 1433822705 /nfs/dbraw/zinc/82/27/05/1433822705.db2.gz CYTLLUSBFLXWBC-GMKZXUHWSA-N 1 3 389.543 3.185 20 0 GGADHO O=C1c2ccccc2CCN1CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248788240 1433822707 /nfs/dbraw/zinc/82/27/07/1433822707.db2.gz CYTLLUSBFLXWBC-GMKZXUHWSA-N 1 3 389.543 3.185 20 0 GGADHO O=C1c2ccccc2CCN1CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248788240 1433822708 /nfs/dbraw/zinc/82/27/08/1433822708.db2.gz CYTLLUSBFLXWBC-GMKZXUHWSA-N 1 3 389.543 3.185 20 0 GGADHO O=C1c2ccccc2CCN1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248884410 1433827650 /nfs/dbraw/zinc/82/76/50/1433827650.db2.gz LQEYWDICFKEMTK-NUNAXRQHSA-N 1 3 389.543 3.470 20 0 GGADHO O=C1c2ccccc2CCN1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248884410 1433827652 /nfs/dbraw/zinc/82/76/52/1433827652.db2.gz LQEYWDICFKEMTK-NUNAXRQHSA-N 1 3 389.543 3.470 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000249278072 1433840139 /nfs/dbraw/zinc/84/01/39/1433840139.db2.gz LSFVLWSROATTSI-PMACEKPBSA-N 1 3 396.620 3.028 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000249278072 1433840140 /nfs/dbraw/zinc/84/01/40/1433840140.db2.gz LSFVLWSROATTSI-PMACEKPBSA-N 1 3 396.620 3.028 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000249278076 1433840184 /nfs/dbraw/zinc/84/01/84/1433840184.db2.gz LSFVLWSROATTSI-VQTJNVASSA-N 1 3 396.620 3.028 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000249278076 1433840185 /nfs/dbraw/zinc/84/01/85/1433840185.db2.gz LSFVLWSROATTSI-VQTJNVASSA-N 1 3 396.620 3.028 20 0 GGADHO CC(C)N1CCN(CCC[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000249287379 1433840544 /nfs/dbraw/zinc/84/05/44/1433840544.db2.gz OQJHEZMUAMZWSG-NHCUHLMSSA-N 1 3 377.573 3.364 20 0 GGADHO CC(C)N1CCN(CCC[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000249287379 1433840545 /nfs/dbraw/zinc/84/05/45/1433840545.db2.gz OQJHEZMUAMZWSG-NHCUHLMSSA-N 1 3 377.573 3.364 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)[C@@H](C)C1 ZINC000249412815 1433843131 /nfs/dbraw/zinc/84/31/31/1433843131.db2.gz FOCWKZKJJRUUIF-UGNRZPKXSA-N 1 3 393.547 3.118 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC000249412810 1433843173 /nfs/dbraw/zinc/84/31/73/1433843173.db2.gz FOCWKZKJJRUUIF-IKVWTGGYSA-N 1 3 393.547 3.118 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NCc2ccccc2Cl)[C@@H](C)C1 ZINC000249416510 1433843351 /nfs/dbraw/zinc/84/33/51/1433843351.db2.gz GOWQWCDNCJZXRE-QKLQHJQFSA-N 1 3 395.975 3.071 20 0 GGADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)NCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000249442487 1433843935 /nfs/dbraw/zinc/84/39/35/1433843935.db2.gz MMMZMEPGJQABJV-QKLQHJQFSA-N 1 3 395.975 3.071 20 0 GGADHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000250077653 1433854227 /nfs/dbraw/zinc/85/42/27/1433854227.db2.gz OTJCATBRLTZXAE-ZBFHGGJFSA-N 1 3 385.346 3.351 20 0 GGADHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000250077653 1433854228 /nfs/dbraw/zinc/85/42/28/1433854228.db2.gz OTJCATBRLTZXAE-ZBFHGGJFSA-N 1 3 385.346 3.351 20 0 GGADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000250479954 1433856283 /nfs/dbraw/zinc/85/62/83/1433856283.db2.gz BREFJFJZYVWGHK-ZWKOTPCHSA-N 1 3 378.586 3.305 20 0 GGADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)N2CCCC2)C1 ZINC000250479954 1433856284 /nfs/dbraw/zinc/85/62/84/1433856284.db2.gz BREFJFJZYVWGHK-ZWKOTPCHSA-N 1 3 378.586 3.305 20 0 GGADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000255504854 1433883833 /nfs/dbraw/zinc/88/38/33/1433883833.db2.gz AQZSZWMHTZMWCK-VWPQPMDRSA-N 1 3 388.600 3.217 20 0 GGADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000255504854 1433883834 /nfs/dbraw/zinc/88/38/34/1433883834.db2.gz AQZSZWMHTZMWCK-VWPQPMDRSA-N 1 3 388.600 3.217 20 0 GGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261868300 1433908373 /nfs/dbraw/zinc/90/83/73/1433908373.db2.gz XAMZWVAACLSSGZ-MJGOQNOKSA-N 1 3 377.488 3.309 20 0 GGADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1c1ccccc1 ZINC000261868289 1433908423 /nfs/dbraw/zinc/90/84/23/1433908423.db2.gz WZZRKEMSCJEXQQ-WBVHZDCISA-N 1 3 375.875 3.482 20 0 GGADHO Cc1cc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1Oc1cccnc1 ZINC000262043245 1433924129 /nfs/dbraw/zinc/92/41/29/1433924129.db2.gz PJPFURHKKWPUPP-LJQANCHMSA-N 1 3 382.508 3.002 20 0 GGADHO O=C(Nc1cccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1)c1ccccc1Cl ZINC000262068735 1433925650 /nfs/dbraw/zinc/92/56/50/1433925650.db2.gz BTVSKCLWXVKJQV-IBGZPJMESA-N 1 3 398.938 3.072 20 0 GGADHO c1csc(-c2nn(-c3ccccc3)cc2CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262074358 1433926145 /nfs/dbraw/zinc/92/61/45/1433926145.db2.gz CWCDUFCFJKACBL-HXUWFJFHSA-N 1 3 393.560 3.080 20 0 GGADHO Clc1ccccc1COc1cccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262102387 1433926927 /nfs/dbraw/zinc/92/69/27/1433926927.db2.gz IWXQHHMRAARAAA-FQEVSTJZSA-N 1 3 385.939 3.399 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000262120430 1433927733 /nfs/dbraw/zinc/92/77/33/1433927733.db2.gz LYQIZKASGNCATR-IAGOWNOFSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000262120430 1433927737 /nfs/dbraw/zinc/92/77/37/1433927737.db2.gz LYQIZKASGNCATR-IAGOWNOFSA-N 1 3 377.529 3.275 20 0 GGADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCCN2CCCC[C@H]2C)c1 ZINC000262120430 1433927739 /nfs/dbraw/zinc/92/77/39/1433927739.db2.gz LYQIZKASGNCATR-IAGOWNOFSA-N 1 3 377.529 3.275 20 0 GGADHO Cn1ccnc1COc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000262164329 1433929115 /nfs/dbraw/zinc/92/91/15/1433929115.db2.gz HFKDGUJHVPVLCN-IRLDBZIGSA-N 1 3 376.504 3.173 20 0 GGADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262269041 1433933167 /nfs/dbraw/zinc/93/31/67/1433933167.db2.gz KEJFLTOBWGSGHK-ZVBHREPYSA-N 1 3 377.960 3.384 20 0 GGADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2NCCc3ccccc32)cc1 ZINC000262331597 1433935398 /nfs/dbraw/zinc/93/53/98/1433935398.db2.gz GTEOAQROYDJOHW-JOCHJYFZSA-N 1 3 381.520 3.024 20 0 GGADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262340769 1433935588 /nfs/dbraw/zinc/93/55/88/1433935588.db2.gz STKFXJQTNWKXGT-ZVXXOIICSA-N 1 3 379.495 3.009 20 0 GGADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262400891 1433937832 /nfs/dbraw/zinc/93/78/32/1433937832.db2.gz ZSERRSUECMTRLY-HLVUACMISA-N 1 3 379.495 3.009 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)N(CCC[NH3+])Cc3ccccc3)cc2)CC1 ZINC000262447588 1433939713 /nfs/dbraw/zinc/93/97/13/1433939713.db2.gz JBNOCPQPHCLRQM-UHFFFAOYSA-N 1 3 394.563 3.208 20 0 GGADHO C[C@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000262631426 1433947058 /nfs/dbraw/zinc/94/70/58/1433947058.db2.gz FITHHDVPNUVRBU-JTSKRJEESA-N 1 3 381.520 3.166 20 0 GGADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000262652770 1433948232 /nfs/dbraw/zinc/94/82/32/1433948232.db2.gz YPFYULLFKARISZ-WDYCEAGBSA-N 1 3 383.458 3.027 20 0 GGADHO C[C@@H]1CN(CCC2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000262697282 1433950515 /nfs/dbraw/zinc/95/05/15/1433950515.db2.gz XXYWVJDPOXBZSS-KDURUIRLSA-N 1 3 379.589 3.024 20 0 GGADHO CC1CCN([C@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c2ccccc2)CC1 ZINC000262747927 1433953624 /nfs/dbraw/zinc/95/36/24/1433953624.db2.gz KBEBYAVHQYFFGW-IFMALSPDSA-N 1 3 395.551 3.011 20 0 GGADHO CCO[C@H]1C[C@](N)(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1(C)C ZINC000262771796 1433955150 /nfs/dbraw/zinc/95/51/50/1433955150.db2.gz IABDAYXGHQHQKD-REWPJTCUSA-N 1 3 387.568 3.067 20 0 GGADHO CCO[C@@H]1C[C@](N)(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1(C)C ZINC000262812397 1433958088 /nfs/dbraw/zinc/95/80/88/1433958088.db2.gz VMFWESLMBLARIF-GWJPWWOOSA-N 1 3 387.568 3.299 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1(C)C ZINC000262818698 1433958639 /nfs/dbraw/zinc/95/86/39/1433958639.db2.gz XNWDYUHYYWOLLE-XTQVGHSUSA-N 1 3 387.568 3.210 20 0 GGADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1(C)C ZINC000262818698 1433958643 /nfs/dbraw/zinc/95/86/43/1433958643.db2.gz XNWDYUHYYWOLLE-XTQVGHSUSA-N 1 3 387.568 3.210 20 0 GGADHO CCCOc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1OC ZINC000265619434 1434250959 /nfs/dbraw/zinc/25/09/59/1434250959.db2.gz POXFCMCMSRBUDW-UHFFFAOYSA-N 1 3 399.535 3.065 20 0 GGADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCCC2(CCOCC2)C1 ZINC000266009495 1434295955 /nfs/dbraw/zinc/29/59/55/1434295955.db2.gz LORKQGQBSYTFKI-FQEVSTJZSA-N 1 3 399.579 3.048 20 0 GGADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000267263693 1434417798 /nfs/dbraw/zinc/41/77/98/1434417798.db2.gz OONKELZWFKUSRY-UHFFFAOYSA-N 1 3 387.524 3.067 20 0 GGADHO C[C@@H]1C[C@H](NCc2ccc(Cn3cncn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268775913 1434555996 /nfs/dbraw/zinc/55/59/96/1434555996.db2.gz VVJFGFBGSGUKAL-AUSIDOKSSA-N 1 3 375.520 3.469 20 0 GGADHO C[C@@H]1C[C@H](NCc2ccc(Cn3cncn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268775913 1434555999 /nfs/dbraw/zinc/55/59/99/1434555999.db2.gz VVJFGFBGSGUKAL-AUSIDOKSSA-N 1 3 375.520 3.469 20 0 GGADHO CC[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(OC)c(OC)c1 ZINC000268815681 1434560474 /nfs/dbraw/zinc/56/04/74/1434560474.db2.gz FLRNAOBPJQMWCT-FQEVSTJZSA-N 1 3 399.535 3.236 20 0 GGADHO COc1ccc2c(c1)[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)CCC2 ZINC000268815522 1434560618 /nfs/dbraw/zinc/56/06/18/1434560618.db2.gz FJHBJLJONLFYGS-QFIPXVFZSA-N 1 3 381.520 3.154 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268883564 1434567591 /nfs/dbraw/zinc/56/75/91/1434567591.db2.gz IMZZYYPGNYOAQV-HCLVMJGWSA-N 1 3 384.520 3.380 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268883564 1434567593 /nfs/dbraw/zinc/56/75/93/1434567593.db2.gz IMZZYYPGNYOAQV-HCLVMJGWSA-N 1 3 384.520 3.380 20 0 GGADHO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3(O)CCN(C)CC3)s2)cc1 ZINC000268963825 1434576290 /nfs/dbraw/zinc/57/62/90/1434576290.db2.gz GGWXXTPJEPFDOT-AWEZNQCLSA-N 1 3 375.538 3.234 20 0 GGADHO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CC2(O)CCN(C)CC2)CCC3)cc1 ZINC000268998968 1434579932 /nfs/dbraw/zinc/57/99/32/1434579932.db2.gz OIZSGESWJQSEEV-QGZVFWFLSA-N 1 3 387.549 3.242 20 0 GGADHO COc1ccc(NC(=O)C[C@H](C)NC2CC[NH+](C3CCC3)CC2)c(OC)c1 ZINC000269057778 1434586395 /nfs/dbraw/zinc/58/63/95/1434586395.db2.gz XEXRFHYLDDOZNX-HNNXBMFYSA-N 1 3 375.513 3.027 20 0 GGADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000269059282 1434586425 /nfs/dbraw/zinc/58/64/25/1434586425.db2.gz SZTXBOLXHJPHDA-MRXNPFEDSA-N 1 3 375.513 3.373 20 0 GGADHO [NH3+]CCCCCCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000269257530 1434614561 /nfs/dbraw/zinc/61/45/61/1434614561.db2.gz KPVYBEAMJKRFNL-UHFFFAOYSA-N 1 3 381.948 3.209 20 0 GGADHO C[C@H](C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000269260056 1434614973 /nfs/dbraw/zinc/61/49/73/1434614973.db2.gz MCYIMHDESVQZQF-HTAPYJJXSA-N 1 3 399.510 3.121 20 0 GGADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cc2)CC1 ZINC000270271233 1434718515 /nfs/dbraw/zinc/71/85/15/1434718515.db2.gz TZGWTPIFSLOPPV-QFIPXVFZSA-N 1 3 398.595 3.021 20 0 GGADHO CC[C@H](C)[C@@H]1CN(CCCn2ccnc2C)CC[N@@H+]1CCCn1ccnc1C ZINC000270619178 1434751366 /nfs/dbraw/zinc/75/13/66/1434751366.db2.gz JRFQHUQXHFABHZ-UGKGYDQZSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@H](C)[C@@H]1CN(CCCn2ccnc2C)CC[N@H+]1CCCn1ccnc1C ZINC000270619178 1434751373 /nfs/dbraw/zinc/75/13/73/1434751373.db2.gz JRFQHUQXHFABHZ-UGKGYDQZSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@H](C)[C@@H]1C[N@H+](CCCn2ccnc2C)CCN1CCCn1ccnc1C ZINC000270619178 1434751378 /nfs/dbraw/zinc/75/13/78/1434751378.db2.gz JRFQHUQXHFABHZ-UGKGYDQZSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@H](C)[C@@H]1C[N@@H+](CCCn2ccnc2C)CCN1CCCn1ccnc1C ZINC000270619178 1434751384 /nfs/dbraw/zinc/75/13/84/1434751384.db2.gz JRFQHUQXHFABHZ-UGKGYDQZSA-N 1 3 386.588 3.209 20 0 GGADHO CC[C@@H]1C[N@H+](CCCn2ccnc2C)[C@@H](CC)CN1CCCn1ccnc1C ZINC000270697002 1434763290 /nfs/dbraw/zinc/76/32/90/1434763290.db2.gz XGVCGCBZWRKTMR-SZPZYZBQSA-N 1 3 386.588 3.352 20 0 GGADHO CC[C@@H]1C[N@@H+](CCCn2ccnc2C)[C@@H](CC)CN1CCCn1ccnc1C ZINC000270697002 1434763293 /nfs/dbraw/zinc/76/32/93/1434763293.db2.gz XGVCGCBZWRKTMR-SZPZYZBQSA-N 1 3 386.588 3.352 20 0 GGADHO CC[C@@H]1CN(CCCn2ccnc2C)[C@@H](CC)C[N@@H+]1CCCn1ccnc1C ZINC000270697002 1434763298 /nfs/dbraw/zinc/76/32/98/1434763298.db2.gz XGVCGCBZWRKTMR-SZPZYZBQSA-N 1 3 386.588 3.352 20 0 GGADHO CC[C@@H]1CN(CCCn2ccnc2C)[C@@H](CC)C[N@H+]1CCCn1ccnc1C ZINC000270697002 1434763301 /nfs/dbraw/zinc/76/33/01/1434763301.db2.gz XGVCGCBZWRKTMR-SZPZYZBQSA-N 1 3 386.588 3.352 20 0 GGADHO CC(C)N1CCN(C2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000270994879 1434793996 /nfs/dbraw/zinc/79/39/96/1434793996.db2.gz YJRSYLCWOIRRGU-UHFFFAOYSA-N 1 3 392.975 3.159 20 0 GGADHO C[C@@H](CCN1CC[C@@H](C)[C@H](n2ccnc2)C1)[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271217730 1434808843 /nfs/dbraw/zinc/80/88/43/1434808843.db2.gz JEFXBRUQUOUFRN-CDJZJNNCSA-N 1 3 384.572 3.324 20 0 GGADHO C[C@@H](CCN1CC[C@@H](C)[C@H](n2ccnc2)C1)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271217730 1434808844 /nfs/dbraw/zinc/80/88/44/1434808844.db2.gz JEFXBRUQUOUFRN-CDJZJNNCSA-N 1 3 384.572 3.324 20 0 GGADHO CC(CN1CC[C@H](C)[C@H](n2ccnc2)C1)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271288627 1434813400 /nfs/dbraw/zinc/81/34/00/1434813400.db2.gz MDPNOPJLMFCCMR-FNAHDJPLSA-N 1 3 384.572 3.182 20 0 GGADHO CC(CN1CC[C@H](C)[C@H](n2ccnc2)C1)C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271288627 1434813402 /nfs/dbraw/zinc/81/34/02/1434813402.db2.gz MDPNOPJLMFCCMR-FNAHDJPLSA-N 1 3 384.572 3.182 20 0 GGADHO COCCc1nc(C)c([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)s1 ZINC000271314811 1434815382 /nfs/dbraw/zinc/81/53/82/1434815382.db2.gz JJXICJIJUSWKMX-OAHLLOKOSA-N 1 3 377.554 3.432 20 0 GGADHO COCCc1nc(C)c([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)s1 ZINC000271314809 1434815463 /nfs/dbraw/zinc/81/54/63/1434815463.db2.gz JJXICJIJUSWKMX-HNNXBMFYSA-N 1 3 377.554 3.432 20 0 GGADHO C[C@@H]1C[C@H](NCCNC(=O)c2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000271470503 1434827431 /nfs/dbraw/zinc/82/74/31/1434827431.db2.gz LUYKONXWGUVUIK-SJLPKXTDSA-N 1 3 387.474 3.337 20 0 GGADHO C[C@@H]1C[C@H](NCCNC(=O)c2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000271470503 1434827432 /nfs/dbraw/zinc/82/74/32/1434827432.db2.gz LUYKONXWGUVUIK-SJLPKXTDSA-N 1 3 387.474 3.337 20 0 GGADHO C[C@H]1C[C@@H](NCCNC(=O)c2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000271470507 1434827444 /nfs/dbraw/zinc/82/74/44/1434827444.db2.gz LUYKONXWGUVUIK-WMZOPIPTSA-N 1 3 387.474 3.337 20 0 GGADHO C[C@H]1C[C@@H](NCCNC(=O)c2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000271470507 1434827445 /nfs/dbraw/zinc/82/74/45/1434827445.db2.gz LUYKONXWGUVUIK-WMZOPIPTSA-N 1 3 387.474 3.337 20 0 GGADHO CC[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000271483756 1434828654 /nfs/dbraw/zinc/82/86/54/1434828654.db2.gz KTCZCQHARSKARC-FQEVSTJZSA-N 1 3 399.535 3.236 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000271508070 1434830456 /nfs/dbraw/zinc/83/04/56/1434830456.db2.gz MVQMPYHSTQUEQL-QGZVFWFLSA-N 1 3 399.539 3.403 20 0 GGADHO COC(=O)c1ccc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000271773349 1434849501 /nfs/dbraw/zinc/84/95/01/1434849501.db2.gz CAGNYEHMPQULLJ-UHFFFAOYSA-N 1 3 386.492 3.227 20 0 GGADHO C[NH+]1CCC(O)(CN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000272242678 1434881071 /nfs/dbraw/zinc/88/10/71/1434881071.db2.gz AVXPNHCTSGBZMS-IBGZPJMESA-N 1 3 376.447 3.424 20 0 GGADHO COc1c(O)cccc1CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000272332605 1434887795 /nfs/dbraw/zinc/88/77/95/1434887795.db2.gz WVMCOPNOTJSPLF-QFIPXVFZSA-N 1 3 384.520 3.278 20 0 GGADHO CN1CC[C@H]2CCN(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000272449714 1434897168 /nfs/dbraw/zinc/89/71/68/1434897168.db2.gz PLOGFYPPXJBGNS-GHTZIAJQSA-N 1 3 386.540 3.109 20 0 GGADHO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272553216 1434907396 /nfs/dbraw/zinc/90/73/96/1434907396.db2.gz SWTQIEULIJWCBK-ZWCUEREDSA-N 1 3 384.520 3.237 20 0 GGADHO CCNC(=O)COc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000272762068 1434929085 /nfs/dbraw/zinc/92/90/85/1434929085.db2.gz LTRDNKFNUNGJGV-DENIHFKCSA-N 1 3 395.547 3.202 20 0 GGADHO CS[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@H]1[NH+]1CCCC1 ZINC000273532602 1434994928 /nfs/dbraw/zinc/99/49/28/1434994928.db2.gz RKVLNNOBRVNBFG-IEBWSBKVSA-N 1 3 387.549 3.146 20 0 GGADHO CS[C@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@H]1[NH+]1CCCC1 ZINC000273532603 1434995001 /nfs/dbraw/zinc/99/50/01/1434995001.db2.gz RKVLNNOBRVNBFG-MJGOQNOKSA-N 1 3 387.549 3.146 20 0 GGADHO CCCN(CC[NH+](CC)CC)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000274118797 1435045123 /nfs/dbraw/zinc/04/51/23/1435045123.db2.gz MQMYSLRNMCVCNV-LJQANCHMSA-N 1 3 389.588 3.370 20 0 GGADHO Cc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1NC(=O)CC[NH+](C)C ZINC000274425729 1435070185 /nfs/dbraw/zinc/07/01/85/1435070185.db2.gz PHRPGJNXOIMZMO-FQEVSTJZSA-N 1 3 386.540 3.231 20 0 GGADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)c2)CC1 ZINC000274776980 1435091627 /nfs/dbraw/zinc/09/16/27/1435091627.db2.gz DXVXFALXHCWKMX-HXUWFJFHSA-N 1 3 399.583 3.024 20 0 GGADHO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1OCCO ZINC000274872520 1435099679 /nfs/dbraw/zinc/09/96/79/1435099679.db2.gz FXUYMQCAJHIJRE-GHTZIAJQSA-N 1 3 384.520 3.067 20 0 GGADHO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274872579 1435100088 /nfs/dbraw/zinc/10/00/88/1435100088.db2.gz GAQFUJFSMGCHGW-XMSQKQJNSA-N 1 3 386.561 3.231 20 0 GGADHO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274892442 1435101524 /nfs/dbraw/zinc/10/15/24/1435101524.db2.gz JPHSBFPRKKCBMV-UGKGYDQZSA-N 1 3 395.547 3.154 20 0 GGADHO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274892433 1435101630 /nfs/dbraw/zinc/10/16/30/1435101630.db2.gz JPHSBFPRKKCBMV-DENIHFKCSA-N 1 3 395.547 3.154 20 0 GGADHO C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274903689 1435102462 /nfs/dbraw/zinc/10/24/62/1435102462.db2.gz LSBYODIMVDCEFO-GCJKJVERSA-N 1 3 386.561 3.231 20 0 GGADHO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000274927832 1435104015 /nfs/dbraw/zinc/10/40/15/1435104015.db2.gz QFMRSGQCVFQHMV-WCAVRKLYSA-N 1 3 384.520 3.237 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000274927832 1435104016 /nfs/dbraw/zinc/10/40/16/1435104016.db2.gz QFMRSGQCVFQHMV-WCAVRKLYSA-N 1 3 384.520 3.237 20 0 GGADHO COc1cc(OC)cc([C@H](O)CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000274927832 1435104017 /nfs/dbraw/zinc/10/40/17/1435104017.db2.gz QFMRSGQCVFQHMV-WCAVRKLYSA-N 1 3 384.520 3.237 20 0 GGADHO Cc1ccc([C@@H](CCn2cncn2)NCc2ccccc2OCC[NH+](C)C)cc1 ZINC000275886039 1435177178 /nfs/dbraw/zinc/17/71/78/1435177178.db2.gz QBGOWTAGJRQNBV-JOCHJYFZSA-N 1 3 393.535 3.448 20 0 GGADHO Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]34)CC2)n[nH]1 ZINC000275928005 1435180335 /nfs/dbraw/zinc/18/03/35/1435180335.db2.gz QZZGRNXGGRNHJN-BAGYTPMASA-N 1 3 379.552 3.187 20 0 GGADHO CN1CCC(N(Cc2ccco2)C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000276307629 1435203873 /nfs/dbraw/zinc/20/38/73/1435203873.db2.gz SCGFVKUIQUZMHL-UHFFFAOYSA-N 1 3 398.551 3.190 20 0 GGADHO COCCN(C)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000276658645 1435223195 /nfs/dbraw/zinc/22/31/95/1435223195.db2.gz VPQGOWGAYKPNEF-SIKLNZKXSA-N 1 3 382.552 3.164 20 0 GGADHO COCCN(C)c1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000276658646 1435223261 /nfs/dbraw/zinc/22/32/61/1435223261.db2.gz VPQGOWGAYKPNEF-UGKGYDQZSA-N 1 3 382.552 3.164 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)NCC(C)(C)C[NH+]2CCCC2)c(OC)c1 ZINC000276919676 1435243117 /nfs/dbraw/zinc/24/31/17/1435243117.db2.gz QPCQAOYLNRUVCZ-MRXNPFEDSA-N 1 3 377.529 3.133 20 0 GGADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CN2CCCC2)c(OC)c1 ZINC000276919676 1435243118 /nfs/dbraw/zinc/24/31/18/1435243118.db2.gz QPCQAOYLNRUVCZ-MRXNPFEDSA-N 1 3 377.529 3.133 20 0 GGADHO CN(C)Cc1cccc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)c1 ZINC000277556986 1435312601 /nfs/dbraw/zinc/31/26/01/1435312601.db2.gz WUAAARUKKNDVQP-UHFFFAOYSA-N 1 3 391.519 3.426 20 0 GGADHO CC[NH+]1CCN(Cc2ccccc2CN[C@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000278341319 1435381530 /nfs/dbraw/zinc/38/15/30/1435381530.db2.gz XORJWTADHCEMKL-QGZVFWFLSA-N 1 3 385.508 3.055 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278516121 1435396485 /nfs/dbraw/zinc/39/64/85/1435396485.db2.gz MLVHANQLINYVCT-QZTJIDSGSA-N 1 3 376.545 3.368 20 0 GGADHO CC(C)NC(=O)Nc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278516121 1435396488 /nfs/dbraw/zinc/39/64/88/1435396488.db2.gz MLVHANQLINYVCT-QZTJIDSGSA-N 1 3 376.545 3.368 20 0 GGADHO COc1cc2c(cc1OC)[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2 ZINC000279961707 1435570029 /nfs/dbraw/zinc/57/00/29/1435570029.db2.gz CIDRXHOIBVXLHC-UNMCSNQZSA-N 1 3 396.531 3.438 20 0 GGADHO COc1cc2c(cc1OC)[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2 ZINC000279961707 1435570033 /nfs/dbraw/zinc/57/00/33/1435570033.db2.gz CIDRXHOIBVXLHC-UNMCSNQZSA-N 1 3 396.531 3.438 20 0 GGADHO [NH3+]CC[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000281611020 1435815508 /nfs/dbraw/zinc/81/55/08/1435815508.db2.gz BFFJHSUGVAMFHP-HKUYNNGSSA-N 1 3 383.458 3.028 20 0 GGADHO Cn1cc(-c2ccc(C[NH2+]Cc3ccc(CN4CCN(C)CC4)cc3)s2)cn1 ZINC000282329804 1435843360 /nfs/dbraw/zinc/84/33/60/1435843360.db2.gz UWKUNMQTDVOAKW-UHFFFAOYSA-N 1 3 395.576 3.186 20 0 GGADHO O=C(c1ccccc1)N1CC[C@H](CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000282411994 1435846267 /nfs/dbraw/zinc/84/62/67/1435846267.db2.gz GALFJZPBXDDOBN-JRFVFWCSSA-N 1 3 389.543 3.213 20 0 GGADHO O=C(c1ccccc1)N1CC[C@H](CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000282411994 1435846269 /nfs/dbraw/zinc/84/62/69/1435846269.db2.gz GALFJZPBXDDOBN-JRFVFWCSSA-N 1 3 389.543 3.213 20 0 GGADHO Cc1nc(-c2ccc(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)cc2)cs1 ZINC000282541748 1435850830 /nfs/dbraw/zinc/85/08/30/1435850830.db2.gz XPRKXFLJCGQWKO-UHFFFAOYSA-N 1 3 398.576 3.407 20 0 GGADHO CCOC(=O)[C@H]1CC[C@@H](NCC2([NH+]3CCCC3)CCOCC2)c2ccccc21 ZINC000283189466 1435878532 /nfs/dbraw/zinc/87/85/32/1435878532.db2.gz KLKHDXBMGSRYEZ-LEWJYISDSA-N 1 3 386.536 3.403 20 0 GGADHO C[NH+]1CCC(Oc2ccc(CNCc3ccccc3N3CCOCC3)cc2)CC1 ZINC000283887241 1435945439 /nfs/dbraw/zinc/94/54/39/1435945439.db2.gz HIRGUELEWWGKQW-UHFFFAOYSA-N 1 3 395.547 3.286 20 0 GGADHO COCCOc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000284160970 1436000715 /nfs/dbraw/zinc/00/07/15/1436000715.db2.gz WISSINLDYMDOAQ-UHFFFAOYSA-N 1 3 384.520 3.475 20 0 GGADHO CN(C)Cc1ccnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164840956 720720709 /nfs/dbraw/zinc/72/07/09/720720709.db2.gz SXSFIBYPYRJMJY-QFIPXVFZSA-N 1 3 394.563 3.403 20 0 GGADHO CN(C)Cc1ccnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164840956 720720718 /nfs/dbraw/zinc/72/07/18/720720718.db2.gz SXSFIBYPYRJMJY-QFIPXVFZSA-N 1 3 394.563 3.403 20 0 GGADHO CN(C)Cc1ccnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164796959 721502038 /nfs/dbraw/zinc/50/20/38/721502038.db2.gz ZYUUNSBQTYXVDD-UHFFFAOYSA-N 1 3 379.552 3.419 20 0 GGADHO CN(C)Cc1ccnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164796959 721502040 /nfs/dbraw/zinc/50/20/40/721502040.db2.gz ZYUUNSBQTYXVDD-UHFFFAOYSA-N 1 3 379.552 3.419 20 0 GGADHO Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CCN3C2)c1 ZINC001164906775 721545147 /nfs/dbraw/zinc/54/51/47/721545147.db2.gz LHOVFLXVXYIMRQ-PZJWPPBQSA-N 1 3 382.483 3.163 20 0 GGADHO CN(Cc1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)C1CC1 ZINC001164908721 721557609 /nfs/dbraw/zinc/55/76/09/721557609.db2.gz RTIWCLSPQQSVHJ-UNMCSNQZSA-N 1 3 396.510 3.157 20 0 GGADHO CN(Cc1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)C1CC1 ZINC001164908721 721557612 /nfs/dbraw/zinc/55/76/12/721557612.db2.gz RTIWCLSPQQSVHJ-UNMCSNQZSA-N 1 3 396.510 3.157 20 0 GGADHO