smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]cnc4c2ccn4C(C)C)CC3)cs1 ZINC001164692629 719812621 /nfs/dbraw/zinc/81/26/21/719812621.db2.gz PSNYKXROKGVUAH-UHFFFAOYSA-N 2 2 410.591 4.412 20 0 HIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]cnc4c2ccn4C(C)C)CC3)cs1 ZINC001164692629 719812622 /nfs/dbraw/zinc/81/26/22/719812622.db2.gz PSNYKXROKGVUAH-UHFFFAOYSA-N 2 2 410.591 4.412 20 0 HIADLP COc1ccc2cc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164696686 719896279 /nfs/dbraw/zinc/89/62/79/719896279.db2.gz HJFAKGLCQBZJLG-UHFFFAOYSA-N 2 2 409.555 4.176 20 0 HIADLP COc1ccc2cc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164696686 719896280 /nfs/dbraw/zinc/89/62/80/719896280.db2.gz HJFAKGLCQBZJLG-UHFFFAOYSA-N 2 2 409.555 4.176 20 0 HIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4c(C)cccc43)C2)C1 ZINC001164777853 721351812 /nfs/dbraw/zinc/35/18/12/721351812.db2.gz JDNNLFFEQMJMNE-VWLOTQADSA-N 2 2 420.557 4.267 20 0 HIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4c(C)cccc43)C2)C1 ZINC001164777853 721351813 /nfs/dbraw/zinc/35/18/13/721351813.db2.gz JDNNLFFEQMJMNE-VWLOTQADSA-N 2 2 420.557 4.267 20 0 HIADLP COc1ccc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164904971 721717728 /nfs/dbraw/zinc/71/77/28/721717728.db2.gz GAFFYMGKCWUUHA-QHCPKHFHSA-N 2 2 424.495 4.376 20 0 HIADLP COc1ccc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164904971 721717729 /nfs/dbraw/zinc/71/77/29/721717729.db2.gz GAFFYMGKCWUUHA-QHCPKHFHSA-N 2 2 424.495 4.376 20 0 HIADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750469 849264674 /nfs/dbraw/zinc/26/46/74/849264674.db2.gz FWEUFZDLMQVKFD-HSZRJFAPSA-N 2 2 418.541 4.114 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)CC1 ZINC000215979337 853841478 /nfs/dbraw/zinc/84/14/78/853841478.db2.gz VOEPCDUSXMYQFD-UHFFFAOYSA-N 2 2 418.891 4.039 20 0 HIADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)C1 ZINC000236822807 853926668 /nfs/dbraw/zinc/92/66/68/853926668.db2.gz RRGAWYRQIAQWGL-AWEZNQCLSA-N 2 2 400.876 4.284 20 0 HIADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)C1 ZINC000236822807 853926673 /nfs/dbraw/zinc/92/66/73/853926673.db2.gz RRGAWYRQIAQWGL-AWEZNQCLSA-N 2 2 400.876 4.284 20 0 HIADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000237207829 853982430 /nfs/dbraw/zinc/98/24/30/853982430.db2.gz AOFGXIKVBBMZRY-UHFFFAOYSA-N 2 2 407.352 4.300 20 0 HIADLP Cc1ccc(-c2ccc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)o2)cc1 ZINC000237727545 854084738 /nfs/dbraw/zinc/08/47/38/854084738.db2.gz JVYKSCMKHUXAJB-UHFFFAOYSA-N 2 2 406.526 4.256 20 0 HIADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)cc2)n1 ZINC000237756421 854089594 /nfs/dbraw/zinc/08/95/94/854089594.db2.gz OBEZDTTUBPANAB-UHFFFAOYSA-N 2 2 411.431 4.426 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000301130340 854306507 /nfs/dbraw/zinc/30/65/07/854306507.db2.gz XMNJZORWUWSEIP-LJQANCHMSA-N 2 2 421.614 4.485 20 0 HIADLP Cc1cc(N2CCC(Nc3cc[nH+]c4cc(Br)ccc34)CC2)nc(C)[nH+]1 ZINC000301587508 854425246 /nfs/dbraw/zinc/42/52/46/854425246.db2.gz WNDSNYTYADYPPL-UHFFFAOYSA-N 2 2 412.335 4.485 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000303126267 854773873 /nfs/dbraw/zinc/77/38/73/854773873.db2.gz BBJYHCCCOYMHQC-RRQZXNHTSA-N 2 2 423.576 4.413 20 0 HIADLP COc1cc(Br)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000312016475 855371382 /nfs/dbraw/zinc/37/13/82/855371382.db2.gz TWFCBMTVHISMPR-QGZVFWFLSA-N 2 2 419.363 4.078 20 0 HIADLP COc1cc(Br)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000312016475 855371384 /nfs/dbraw/zinc/37/13/84/855371384.db2.gz TWFCBMTVHISMPR-QGZVFWFLSA-N 2 2 419.363 4.078 20 0 HIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC000387509924 855445334 /nfs/dbraw/zinc/44/53/34/855445334.db2.gz YQJJGQJGBUPRFB-RTWAWAEBSA-N 2 2 401.595 4.467 20 0 HIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC000387509924 855445336 /nfs/dbraw/zinc/44/53/36/855445336.db2.gz YQJJGQJGBUPRFB-RTWAWAEBSA-N 2 2 401.595 4.467 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccco1 ZINC000426316109 856241060 /nfs/dbraw/zinc/24/10/60/856241060.db2.gz BECVTXPHOBGMTG-MQSCRBSSSA-N 2 2 421.545 4.087 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccco1 ZINC000426316112 856241388 /nfs/dbraw/zinc/24/13/88/856241388.db2.gz BECVTXPHOBGMTG-XPNTWCBSSA-N 2 2 421.545 4.087 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000427853325 856982621 /nfs/dbraw/zinc/98/26/21/856982621.db2.gz WPYHWYDVYTWEKQ-CVDCTZTESA-N 2 2 415.603 4.154 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000427853325 856982627 /nfs/dbraw/zinc/98/26/27/856982627.db2.gz WPYHWYDVYTWEKQ-CVDCTZTESA-N 2 2 415.603 4.154 20 0 HIADLP Fc1cc(Br)ccc1[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427886086 856993647 /nfs/dbraw/zinc/99/36/47/856993647.db2.gz YIDWFDIEDMSTPC-OXQOHEQNSA-N 2 2 400.295 4.479 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428076832 857064197 /nfs/dbraw/zinc/06/41/97/857064197.db2.gz NVOFYPOJJNRTLT-GOSISDBHSA-N 2 2 417.479 4.138 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428076832 857064202 /nfs/dbraw/zinc/06/42/02/857064202.db2.gz NVOFYPOJJNRTLT-GOSISDBHSA-N 2 2 417.479 4.138 20 0 HIADLP CC(C)O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000428409277 857195348 /nfs/dbraw/zinc/19/53/48/857195348.db2.gz MBNVSZISWORPGX-ZCYQVOJMSA-N 2 2 422.617 4.082 20 0 HIADLP CC(C)O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000428409277 857195361 /nfs/dbraw/zinc/19/53/61/857195361.db2.gz MBNVSZISWORPGX-ZCYQVOJMSA-N 2 2 422.617 4.082 20 0 HIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C)ccc2OC(F)F)[C@@H]1c1cnn(C)c1 ZINC000428433410 857202267 /nfs/dbraw/zinc/20/22/67/857202267.db2.gz TWASQNBGYMCEMZ-LAUBAEHRSA-N 2 2 406.521 4.235 20 0 HIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C)ccc2OC(F)F)[C@@H]1c1cnn(C)c1 ZINC000428433410 857202278 /nfs/dbraw/zinc/20/22/78/857202278.db2.gz TWASQNBGYMCEMZ-LAUBAEHRSA-N 2 2 406.521 4.235 20 0 HIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(C)ccc2OC(F)F)[C@@H]1c1cnn(C)c1 ZINC000428433410 857202293 /nfs/dbraw/zinc/20/22/93/857202293.db2.gz TWASQNBGYMCEMZ-LAUBAEHRSA-N 2 2 406.521 4.235 20 0 HIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(C)ccc2OC(F)F)[C@@H]1c1cnn(C)c1 ZINC000428433410 857202308 /nfs/dbraw/zinc/20/23/08/857202308.db2.gz TWASQNBGYMCEMZ-LAUBAEHRSA-N 2 2 406.521 4.235 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccccc1Cl ZINC000428676333 857295092 /nfs/dbraw/zinc/29/50/92/857295092.db2.gz YGGFSZTWERLBCM-HXUWFJFHSA-N 2 2 417.985 4.097 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000428679950 857295491 /nfs/dbraw/zinc/29/54/91/857295491.db2.gz MIJUEGVOGMKVGU-UHFFFAOYSA-N 2 2 403.615 4.056 20 0 HIADLP CC(C)C[C@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000428777470 857333171 /nfs/dbraw/zinc/33/31/71/857333171.db2.gz IMVQBEYSXKMGIF-PZJWPPBQSA-N 2 2 411.594 4.126 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000429232463 857565296 /nfs/dbraw/zinc/56/52/96/857565296.db2.gz BJHFLIKKKSQGAA-UHFFFAOYSA-N 2 2 404.356 4.007 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000429232463 857565301 /nfs/dbraw/zinc/56/53/01/857565301.db2.gz BJHFLIKKKSQGAA-UHFFFAOYSA-N 2 2 404.356 4.007 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000429247464 857572738 /nfs/dbraw/zinc/57/27/38/857572738.db2.gz VXPHUJQDEATMNH-MRXNPFEDSA-N 2 2 410.518 4.134 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000429247464 857572748 /nfs/dbraw/zinc/57/27/48/857572748.db2.gz VXPHUJQDEATMNH-MRXNPFEDSA-N 2 2 410.518 4.134 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000429248363 857573020 /nfs/dbraw/zinc/57/30/20/857573020.db2.gz YXYOIUXNOXYCDT-UHFFFAOYSA-N 2 2 418.339 4.170 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000429248363 857573025 /nfs/dbraw/zinc/57/30/25/857573025.db2.gz YXYOIUXNOXYCDT-UHFFFAOYSA-N 2 2 418.339 4.170 20 0 HIADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000429428480 857662664 /nfs/dbraw/zinc/66/26/64/857662664.db2.gz PDAWYOGCHIEYLD-NFBKMPQASA-N 2 2 409.530 4.111 20 0 HIADLP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000429428480 857662667 /nfs/dbraw/zinc/66/26/67/857662667.db2.gz PDAWYOGCHIEYLD-NFBKMPQASA-N 2 2 409.530 4.111 20 0 HIADLP Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cs2)c1 ZINC000429860139 857915161 /nfs/dbraw/zinc/91/51/61/857915161.db2.gz RWEBGYQOVMZIBH-UHFFFAOYSA-N 2 2 409.559 4.044 20 0 HIADLP Cc1ccc([C@@H](OC[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc2)cc1 ZINC000430813850 858314091 /nfs/dbraw/zinc/31/40/91/858314091.db2.gz GERQKEMARUECAT-ZEQRLZLVSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccccc1[C@@H](OC[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000430832456 858322322 /nfs/dbraw/zinc/32/23/22/858322322.db2.gz ZBJJBHBXWONSEW-VWNXMTODSA-N 2 2 405.542 4.065 20 0 HIADLP CCSc1ccc(Cl)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000437702835 863035876 /nfs/dbraw/zinc/03/58/76/863035876.db2.gz NSELQZMBFRTMRZ-UHFFFAOYSA-N 2 2 410.027 4.132 20 0 HIADLP COc1ccccc1-c1noc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000433019140 859482333 /nfs/dbraw/zinc/48/23/33/859482333.db2.gz IDTHDGCZLIFFLZ-UHFFFAOYSA-N 2 2 415.497 4.311 20 0 HIADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(F)c(Cl)c1 ZINC000433244473 859587779 /nfs/dbraw/zinc/58/77/79/859587779.db2.gz HMBQPFGGUDDQRN-UHFFFAOYSA-N 2 2 421.969 4.098 20 0 HIADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(F)c(Cl)c1 ZINC000433244473 859587786 /nfs/dbraw/zinc/58/77/86/859587786.db2.gz HMBQPFGGUDDQRN-UHFFFAOYSA-N 2 2 421.969 4.098 20 0 HIADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434185326 860175455 /nfs/dbraw/zinc/17/54/55/860175455.db2.gz XWOFLQSTTYUZJI-LJQANCHMSA-N 2 2 415.626 4.009 20 0 HIADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434185326 860175460 /nfs/dbraw/zinc/17/54/60/860175460.db2.gz XWOFLQSTTYUZJI-LJQANCHMSA-N 2 2 415.626 4.009 20 0 HIADLP CC(C)C[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000434309993 860270928 /nfs/dbraw/zinc/27/09/28/860270928.db2.gz WDMLIINIDMRGPP-IEIRFRATSA-N 2 2 410.562 4.010 20 0 HIADLP COc1ccc(C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)cc1Br ZINC000434495416 860373304 /nfs/dbraw/zinc/37/33/04/860373304.db2.gz VQDOFBYOJBSJJJ-INIZCTEOSA-N 2 2 404.352 4.288 20 0 HIADLP COc1ccc(C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)cc1Br ZINC000434495416 860373311 /nfs/dbraw/zinc/37/33/11/860373311.db2.gz VQDOFBYOJBSJJJ-INIZCTEOSA-N 2 2 404.352 4.288 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cc2ccccc2o1 ZINC000434685071 860459563 /nfs/dbraw/zinc/45/95/63/860459563.db2.gz MGCYMKRDZUKIEF-ROUUACIJSA-N 2 2 420.557 4.411 20 0 HIADLP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc2ccccc2c1 ZINC000434688675 860461658 /nfs/dbraw/zinc/46/16/58/860461658.db2.gz ORCVBJJEWUTTLW-LJQANCHMSA-N 2 2 416.569 4.429 20 0 HIADLP C[C@@H]1CCN(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccccc2S1 ZINC000434690248 860463146 /nfs/dbraw/zinc/46/31/46/860463146.db2.gz FPZRDCCJCRASIZ-GOSISDBHSA-N 2 2 424.614 4.316 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(OC)c1OCc1ccccc1 ZINC000435053844 860617144 /nfs/dbraw/zinc/61/71/44/860617144.db2.gz WSUPOPNLGWPDBV-JOCHJYFZSA-N 2 2 420.509 4.331 20 0 HIADLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(OC)c1OCc1ccccc1 ZINC000435053844 860617145 /nfs/dbraw/zinc/61/71/45/860617145.db2.gz WSUPOPNLGWPDBV-JOCHJYFZSA-N 2 2 420.509 4.331 20 0 HIADLP CCc1cc(C)cc(CC)c1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000435171379 860676380 /nfs/dbraw/zinc/67/63/80/860676380.db2.gz PLVNLONNFSONGW-UHFFFAOYSA-N 2 2 400.611 4.192 20 0 HIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000435533509 860848214 /nfs/dbraw/zinc/84/82/14/860848214.db2.gz JETQCRQZAACARW-OUJSJNLKSA-N 2 2 408.586 4.021 20 0 HIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000435533509 860848216 /nfs/dbraw/zinc/84/82/16/860848216.db2.gz JETQCRQZAACARW-OUJSJNLKSA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000435533509 860848225 /nfs/dbraw/zinc/84/82/25/860848225.db2.gz JETQCRQZAACARW-OUJSJNLKSA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000435533509 860848230 /nfs/dbraw/zinc/84/82/30/860848230.db2.gz JETQCRQZAACARW-OUJSJNLKSA-N 2 2 408.586 4.021 20 0 HIADLP Cc1ccccc1COc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000438178137 863602420 /nfs/dbraw/zinc/60/24/20/863602420.db2.gz OMUSQIFGFWEZCH-UHFFFAOYSA-N 2 2 424.589 4.064 20 0 HIADLP Cc1ccccc1COc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000438178137 863602429 /nfs/dbraw/zinc/60/24/29/863602429.db2.gz OMUSQIFGFWEZCH-UHFFFAOYSA-N 2 2 424.589 4.064 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000440815230 865932612 /nfs/dbraw/zinc/93/26/12/865932612.db2.gz HSVCAJLRSPONQL-GMAHTHKFSA-N 2 2 411.594 4.195 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000440815230 865932617 /nfs/dbraw/zinc/93/26/17/865932617.db2.gz HSVCAJLRSPONQL-GMAHTHKFSA-N 2 2 411.594 4.195 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N2CCCc3ccccc32)c(C)c1 ZINC000441361280 866431277 /nfs/dbraw/zinc/43/12/77/866431277.db2.gz FSCYTOQTWWSLEJ-REWPJTCUSA-N 2 2 402.542 4.199 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)c(C)c1 ZINC000441364843 866434621 /nfs/dbraw/zinc/43/46/21/866434621.db2.gz NRHOZAREEGXIIS-YADARESESA-N 2 2 413.525 4.406 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)c(C)c1 ZINC000441381485 866452294 /nfs/dbraw/zinc/45/22/94/866452294.db2.gz ISWHFNLFFQQLNH-AUSIDOKSSA-N 2 2 408.521 4.017 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000441394258 866465798 /nfs/dbraw/zinc/46/57/98/866465798.db2.gz KCONQVOOPDISHZ-SKBVVQJISA-N 2 2 417.597 4.035 20 0 HIADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000441394258 866465808 /nfs/dbraw/zinc/46/58/08/866465808.db2.gz KCONQVOOPDISHZ-SKBVVQJISA-N 2 2 417.597 4.035 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000441394258 866465814 /nfs/dbraw/zinc/46/58/14/866465814.db2.gz KCONQVOOPDISHZ-SKBVVQJISA-N 2 2 417.597 4.035 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000441394258 866465824 /nfs/dbraw/zinc/46/58/24/866465824.db2.gz KCONQVOOPDISHZ-SKBVVQJISA-N 2 2 417.597 4.035 20 0 HIADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394609 866468534 /nfs/dbraw/zinc/46/85/34/866468534.db2.gz LLWAYVGYRXNPMM-NBQZKYEYSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394609 866468540 /nfs/dbraw/zinc/46/85/40/866468540.db2.gz LLWAYVGYRXNPMM-NBQZKYEYSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394609 866468548 /nfs/dbraw/zinc/46/85/48/866468548.db2.gz LLWAYVGYRXNPMM-NBQZKYEYSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394609 866468556 /nfs/dbraw/zinc/46/85/56/866468556.db2.gz LLWAYVGYRXNPMM-NBQZKYEYSA-N 2 2 410.389 4.119 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441398668 866474095 /nfs/dbraw/zinc/47/40/95/866474095.db2.gz WFGWUTBDIDJEFB-MBSDFSHPSA-N 2 2 407.558 4.169 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441398668 866474098 /nfs/dbraw/zinc/47/40/98/866474098.db2.gz WFGWUTBDIDJEFB-MBSDFSHPSA-N 2 2 407.558 4.169 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441398668 866474101 /nfs/dbraw/zinc/47/41/01/866474101.db2.gz WFGWUTBDIDJEFB-MBSDFSHPSA-N 2 2 407.558 4.169 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441398668 866474104 /nfs/dbraw/zinc/47/41/04/866474104.db2.gz WFGWUTBDIDJEFB-MBSDFSHPSA-N 2 2 407.558 4.169 20 0 HIADLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416663 866492710 /nfs/dbraw/zinc/49/27/10/866492710.db2.gz PLPQTOPIVRQLBH-ILBGXUMGSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416663 866492714 /nfs/dbraw/zinc/49/27/14/866492714.db2.gz PLPQTOPIVRQLBH-ILBGXUMGSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416663 866492726 /nfs/dbraw/zinc/49/27/26/866492726.db2.gz PLPQTOPIVRQLBH-ILBGXUMGSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416663 866492731 /nfs/dbraw/zinc/49/27/31/866492731.db2.gz PLPQTOPIVRQLBH-ILBGXUMGSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)Nc1nc(C2CCC2)cs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000442039350 867079807 /nfs/dbraw/zinc/07/98/07/867079807.db2.gz AWXUOOMFWWURBC-PMACEKPBSA-N 2 2 419.639 4.212 20 0 HIADLP CN(C(=O)Nc1nc(C2CCC2)cs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000442039350 867079820 /nfs/dbraw/zinc/07/98/20/867079820.db2.gz AWXUOOMFWWURBC-PMACEKPBSA-N 2 2 419.639 4.212 20 0 HIADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000442868413 867705133 /nfs/dbraw/zinc/70/51/33/867705133.db2.gz NQZAMYPGRQUGLC-LJQANCHMSA-N 2 2 417.594 4.057 20 0 HIADLP CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000442886013 867717344 /nfs/dbraw/zinc/71/73/44/867717344.db2.gz PKOMEFFCRJEEGH-UHFFFAOYSA-N 2 2 410.488 4.141 20 0 HIADLP CC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000442886013 867717356 /nfs/dbraw/zinc/71/73/56/867717356.db2.gz PKOMEFFCRJEEGH-UHFFFAOYSA-N 2 2 410.488 4.141 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444791349 869007966 /nfs/dbraw/zinc/00/79/66/869007966.db2.gz BAIKZTLOYWRPQJ-ZNMIVQPWSA-N 2 2 409.361 4.172 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444791349 869007980 /nfs/dbraw/zinc/00/79/80/869007980.db2.gz BAIKZTLOYWRPQJ-ZNMIVQPWSA-N 2 2 409.361 4.172 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000444807271 869020937 /nfs/dbraw/zinc/02/09/37/869020937.db2.gz WIXBHAMFIMULAA-OAHLLOKOSA-N 2 2 401.308 4.217 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000444807271 869020947 /nfs/dbraw/zinc/02/09/47/869020947.db2.gz WIXBHAMFIMULAA-OAHLLOKOSA-N 2 2 401.308 4.217 20 0 HIADLP CCC[N@H+](C)Cc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000445227864 869286363 /nfs/dbraw/zinc/28/63/63/869286363.db2.gz JBBULUUULIBFIG-UHFFFAOYSA-N 2 2 406.530 4.078 20 0 HIADLP CCC[N@@H+](C)Cc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000445227864 869286375 /nfs/dbraw/zinc/28/63/75/869286375.db2.gz JBBULUUULIBFIG-UHFFFAOYSA-N 2 2 406.530 4.078 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2C)cc1 ZINC000468395859 882338077 /nfs/dbraw/zinc/33/80/77/882338077.db2.gz RYKOJKNIAJZFHV-OFVILXPXSA-N 2 2 408.590 4.006 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2C)cc1 ZINC000468395859 882338096 /nfs/dbraw/zinc/33/80/96/882338096.db2.gz RYKOJKNIAJZFHV-OFVILXPXSA-N 2 2 408.590 4.006 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2C)cc1 ZINC000468395859 882338114 /nfs/dbraw/zinc/33/81/14/882338114.db2.gz RYKOJKNIAJZFHV-OFVILXPXSA-N 2 2 408.590 4.006 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2C)cc1 ZINC000468395859 882338133 /nfs/dbraw/zinc/33/81/33/882338133.db2.gz RYKOJKNIAJZFHV-OFVILXPXSA-N 2 2 408.590 4.006 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2ccccc2CC[NH+](C)C)c(C)c1 ZINC000446565857 870478956 /nfs/dbraw/zinc/47/89/56/870478956.db2.gz QFDBDGUCHVFRCK-HSZRJFAPSA-N 2 2 405.546 4.167 20 0 HIADLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)ccc1OCC(F)(F)F ZINC000447070464 870951491 /nfs/dbraw/zinc/95/14/91/870951491.db2.gz WFILKMMVKVCHJV-UHFFFAOYSA-N 2 2 410.436 4.383 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000460486054 873172887 /nfs/dbraw/zinc/17/28/87/873172887.db2.gz FLLQOKJTVILKAC-UXHICEINSA-N 2 2 424.416 4.163 20 0 HIADLP C[NH+]1CCC(CNC(=O)C2(Sc3ccccc3)CCCC2)([NH+]2CCCCC2)CC1 ZINC000460492713 873178451 /nfs/dbraw/zinc/17/84/51/873178451.db2.gz QQUSWWLGXSUDNM-UHFFFAOYSA-N 2 2 415.647 4.158 20 0 HIADLP CCC(CC)(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000460510654 873198533 /nfs/dbraw/zinc/19/85/33/873198533.db2.gz ZPSZRZCYUSUFHG-UHFFFAOYSA-N 2 2 420.041 4.464 20 0 HIADLP Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)c1C ZINC000462763506 875825920 /nfs/dbraw/zinc/82/59/20/875825920.db2.gz DLHDQDYXTRPFND-HDICACEKSA-N 2 2 418.541 4.351 20 0 HIADLP Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)c1C ZINC000462763506 875825922 /nfs/dbraw/zinc/82/59/22/875825922.db2.gz DLHDQDYXTRPFND-HDICACEKSA-N 2 2 418.541 4.351 20 0 HIADLP Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(C[NH+]4CCSCC4)cc3)cc2)c1C ZINC000462767231 875827580 /nfs/dbraw/zinc/82/75/80/875827580.db2.gz ZHMJJPNJONHLBG-UHFFFAOYSA-N 2 2 406.555 4.290 20 0 HIADLP CCOc1ccc(C2(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)CCOCC2)cc1 ZINC000463073389 876104171 /nfs/dbraw/zinc/10/41/71/876104171.db2.gz VAHYUDHEFQGCRR-UHFFFAOYSA-N 2 2 414.512 4.140 20 0 HIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H](c3ccc(F)cc3)[C@@H]3CCCO3)CC2)cc1 ZINC000463113436 876153348 /nfs/dbraw/zinc/15/33/48/876153348.db2.gz YNFQIVYKDBVOLN-ZEQRLZLVSA-N 2 2 400.513 4.482 20 0 HIADLP COc1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000463131193 876177095 /nfs/dbraw/zinc/17/70/95/876177095.db2.gz KAVOWUXVRDJAJU-KRWDZBQOSA-N 2 2 416.537 4.209 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CCCC1 ZINC000463136382 876184729 /nfs/dbraw/zinc/18/47/29/876184729.db2.gz DJMDGDSBGUFQEW-VTZPFEBOSA-N 2 2 407.602 4.475 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CCCC1 ZINC000463136382 876184737 /nfs/dbraw/zinc/18/47/37/876184737.db2.gz DJMDGDSBGUFQEW-VTZPFEBOSA-N 2 2 407.602 4.475 20 0 HIADLP COc1cccc([C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N2CCCC2)c1 ZINC000463140578 876191939 /nfs/dbraw/zinc/19/19/39/876191939.db2.gz LOXCOOHPMXZQJE-AREMUKBSSA-N 2 2 407.602 4.129 20 0 HIADLP CN(C(=O)NCc1ccc(C(F)F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000463219817 876279057 /nfs/dbraw/zinc/27/90/57/876279057.db2.gz AJGPESJTHZKOSQ-RTWAWAEBSA-N 2 2 422.564 4.103 20 0 HIADLP CN(C(=O)NCc1ccc(C(F)F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000463219817 876279070 /nfs/dbraw/zinc/27/90/70/876279070.db2.gz AJGPESJTHZKOSQ-RTWAWAEBSA-N 2 2 422.564 4.103 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464832081 878090927 /nfs/dbraw/zinc/09/09/27/878090927.db2.gz LUYYFJTZGVIYSS-ZVDOUQERSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464832081 878090952 /nfs/dbraw/zinc/09/09/52/878090952.db2.gz LUYYFJTZGVIYSS-ZVDOUQERSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464832081 878090975 /nfs/dbraw/zinc/09/09/75/878090975.db2.gz LUYYFJTZGVIYSS-ZVDOUQERSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464832081 878090997 /nfs/dbraw/zinc/09/09/97/878090997.db2.gz LUYYFJTZGVIYSS-ZVDOUQERSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503370670 912348807 /nfs/dbraw/zinc/34/88/07/912348807.db2.gz AIODXGQJNDKKHG-OFNKIYASSA-N 2 2 420.601 4.226 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503370670 912348826 /nfs/dbraw/zinc/34/88/26/912348826.db2.gz AIODXGQJNDKKHG-OFNKIYASSA-N 2 2 420.601 4.226 20 0 HIADLP C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503372087 912351730 /nfs/dbraw/zinc/35/17/30/912351730.db2.gz JCWLSEOIRSCYGL-LRXVAGHRSA-N 2 2 417.981 4.191 20 0 HIADLP C[C@H](OC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503372087 912351750 /nfs/dbraw/zinc/35/17/50/912351750.db2.gz JCWLSEOIRSCYGL-LRXVAGHRSA-N 2 2 417.981 4.191 20 0 HIADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503407453 912386741 /nfs/dbraw/zinc/38/67/41/912386741.db2.gz DWXGPPOMVLMKRS-CNNODRBYSA-N 2 2 408.590 4.227 20 0 HIADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503407453 912386764 /nfs/dbraw/zinc/38/67/64/912386764.db2.gz DWXGPPOMVLMKRS-CNNODRBYSA-N 2 2 408.590 4.227 20 0 HIADLP CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503430446 912427615 /nfs/dbraw/zinc/42/76/15/912427615.db2.gz CWATYLRZMCICNY-SIKLNZKXSA-N 2 2 411.590 4.136 20 0 HIADLP CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503430446 912427640 /nfs/dbraw/zinc/42/76/40/912427640.db2.gz CWATYLRZMCICNY-SIKLNZKXSA-N 2 2 411.590 4.136 20 0 HIADLP CCN(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@H](C)c1ccc(F)cc1 ZINC000503430280 912428972 /nfs/dbraw/zinc/42/89/72/912428972.db2.gz KMGUMNLTJBTDRU-QUCCMNQESA-N 2 2 412.553 4.148 20 0 HIADLP CCN(C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@H](C)c1ccc(F)cc1 ZINC000503430280 912428978 /nfs/dbraw/zinc/42/89/78/912428978.db2.gz KMGUMNLTJBTDRU-QUCCMNQESA-N 2 2 412.553 4.148 20 0 HIADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C2)n2c1CCCC2 ZINC000503434227 912440210 /nfs/dbraw/zinc/44/02/10/912440210.db2.gz DXIRGEFYQPLMKB-LJQANCHMSA-N 2 2 401.558 4.273 20 0 HIADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C2)n2c1CCCC2 ZINC000503434227 912440223 /nfs/dbraw/zinc/44/02/23/912440223.db2.gz DXIRGEFYQPLMKB-LJQANCHMSA-N 2 2 401.558 4.273 20 0 HIADLP CCC[C@H](CCc1ccccc1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466059556 879753647 /nfs/dbraw/zinc/75/36/47/879753647.db2.gz RZGDASMJICWXQD-HSZRJFAPSA-N 2 2 414.638 4.037 20 0 HIADLP C[NH+]1CCC(CNC(=O)N2CCCCC[C@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000466134579 879846659 /nfs/dbraw/zinc/84/66/59/879846659.db2.gz AKQHLCRTKSJMOM-QHCPKHFHSA-N 2 2 412.622 4.264 20 0 HIADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000466145956 879855068 /nfs/dbraw/zinc/85/50/68/879855068.db2.gz NRZPJMCHYNGRBW-NRFANRHFSA-N 2 2 419.013 4.137 20 0 HIADLP Cc1ccc([C@@H]2CCCCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000466153198 879858527 /nfs/dbraw/zinc/85/85/27/879858527.db2.gz IFPMVZXYFAJIFJ-NRFANRHFSA-N 2 2 416.610 4.165 20 0 HIADLP CCCn1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000469368097 883492315 /nfs/dbraw/zinc/49/23/15/883492315.db2.gz UZOCMMHXJMTBIM-RPWUZVMVSA-N 2 2 424.633 4.461 20 0 HIADLP CCCn1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000469368097 883492340 /nfs/dbraw/zinc/49/23/40/883492340.db2.gz UZOCMMHXJMTBIM-RPWUZVMVSA-N 2 2 424.633 4.461 20 0 HIADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000469630574 883840979 /nfs/dbraw/zinc/84/09/79/883840979.db2.gz KLINJYVECQZMNH-INIZCTEOSA-N 2 2 421.372 4.261 20 0 HIADLP CCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000469683666 883868861 /nfs/dbraw/zinc/86/88/61/883868861.db2.gz YCHOUMOOPYNXMH-UHFFFAOYSA-N 2 2 423.605 4.101 20 0 HIADLP CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000469775272 883950553 /nfs/dbraw/zinc/95/05/53/883950553.db2.gz KALQNWQIOWRFTH-KKSHJYNMSA-N 2 2 411.594 4.241 20 0 HIADLP C[C@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469778092 883952700 /nfs/dbraw/zinc/95/27/00/883952700.db2.gz YPPXUZQBBZMEII-MGPUTAFESA-N 2 2 414.431 4.347 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000469858781 884044653 /nfs/dbraw/zinc/04/46/53/884044653.db2.gz JBDHGDWYBUIHKF-OOICKAIWSA-N 2 2 423.605 4.154 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000469858781 884044669 /nfs/dbraw/zinc/04/46/69/884044669.db2.gz JBDHGDWYBUIHKF-OOICKAIWSA-N 2 2 423.605 4.154 20 0 HIADLP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2cccs2)CC1 ZINC000469863824 884052041 /nfs/dbraw/zinc/05/20/41/884052041.db2.gz SYJYWSBUGMXJME-AQNXPRMDSA-N 2 2 415.607 4.010 20 0 HIADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cc2ccccc2o1 ZINC000472275649 887091934 /nfs/dbraw/zinc/09/19/34/887091934.db2.gz KDHAKGUNFYLZHU-UHFFFAOYSA-N 2 2 409.555 4.052 20 0 HIADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cc2ccccc2o1 ZINC000472275649 887091943 /nfs/dbraw/zinc/09/19/43/887091943.db2.gz KDHAKGUNFYLZHU-UHFFFAOYSA-N 2 2 409.555 4.052 20 0 HIADLP CC(C)Sc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000473846807 888694268 /nfs/dbraw/zinc/69/42/68/888694268.db2.gz AOGNHEUQZFCHLS-UHFFFAOYSA-N 2 2 404.624 4.259 20 0 HIADLP CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474063374 888896652 /nfs/dbraw/zinc/89/66/52/888896652.db2.gz ZPECSBVWQKAJSK-YKSBVNFPSA-N 2 2 417.557 4.239 20 0 HIADLP CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474063374 888896656 /nfs/dbraw/zinc/89/66/56/888896656.db2.gz ZPECSBVWQKAJSK-YKSBVNFPSA-N 2 2 417.557 4.239 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C2 ZINC000474909507 889769462 /nfs/dbraw/zinc/76/94/62/889769462.db2.gz IPWSBAIFUQAJGQ-OALUTQOASA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C2 ZINC000474909507 889769476 /nfs/dbraw/zinc/76/94/76/889769476.db2.gz IPWSBAIFUQAJGQ-OALUTQOASA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000474909507 889769492 /nfs/dbraw/zinc/76/94/92/889769492.db2.gz IPWSBAIFUQAJGQ-OALUTQOASA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)CC2 ZINC000474909507 889769500 /nfs/dbraw/zinc/76/95/00/889769500.db2.gz IPWSBAIFUQAJGQ-OALUTQOASA-N 2 2 408.590 4.186 20 0 HIADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475333794 890254356 /nfs/dbraw/zinc/25/43/56/890254356.db2.gz NZPGJFYJNICOBN-UHFFFAOYSA-N 2 2 406.496 4.384 20 0 HIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)CC1 ZINC000475345233 890267568 /nfs/dbraw/zinc/26/75/68/890267568.db2.gz HNOBMIRHLJYSQA-GRERDSQWSA-N 2 2 412.496 4.139 20 0 HIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)C2)CC1 ZINC000475345890 890268325 /nfs/dbraw/zinc/26/83/25/890268325.db2.gz DYEXOHFXTKMXJN-UHFFFAOYSA-N 2 2 418.887 4.396 20 0 HIADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000475463667 890373484 /nfs/dbraw/zinc/37/34/84/890373484.db2.gz WDNLZFDOKSIYSE-GOSISDBHSA-N 2 2 412.603 4.134 20 0 HIADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475725257 890663359 /nfs/dbraw/zinc/66/33/59/890663359.db2.gz BPPVEQDDHFPGIY-NBGIEHNGSA-N 2 2 423.626 4.009 20 0 HIADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475725257 890663361 /nfs/dbraw/zinc/66/33/61/890663361.db2.gz BPPVEQDDHFPGIY-NBGIEHNGSA-N 2 2 423.626 4.009 20 0 HIADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475725257 890663363 /nfs/dbraw/zinc/66/33/63/890663363.db2.gz BPPVEQDDHFPGIY-NBGIEHNGSA-N 2 2 423.626 4.009 20 0 HIADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475725257 890663367 /nfs/dbraw/zinc/66/33/67/890663367.db2.gz BPPVEQDDHFPGIY-NBGIEHNGSA-N 2 2 423.626 4.009 20 0 HIADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000476575341 891497772 /nfs/dbraw/zinc/49/77/72/891497772.db2.gz LGAOHHUAJRJOOC-UTKZUKDTSA-N 2 2 424.416 4.465 20 0 HIADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000476575341 891497786 /nfs/dbraw/zinc/49/77/86/891497786.db2.gz LGAOHHUAJRJOOC-UTKZUKDTSA-N 2 2 424.416 4.465 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000478221326 893381612 /nfs/dbraw/zinc/38/16/12/893381612.db2.gz QSPCJBBWBSIJHZ-UHFFFAOYSA-N 2 2 417.395 4.475 20 0 HIADLP C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H](c1ccccc1)[NH+](C)C ZINC000479062995 894323505 /nfs/dbraw/zinc/32/35/05/894323505.db2.gz YYLVQGCCDQZHAU-HOYKHHGWSA-N 2 2 415.541 4.415 20 0 HIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c(Br)cc(Br)cc21 ZINC000479329936 894621551 /nfs/dbraw/zinc/62/15/51/894621551.db2.gz HUNYJVGMZIPERG-ZBEGNZNMSA-N 2 2 413.157 4.464 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479402305 894706829 /nfs/dbraw/zinc/70/68/29/894706829.db2.gz NJRYMSVPBWEKHJ-NTKDMRAZSA-N 2 2 401.558 4.460 20 0 HIADLP C[C@@H]1CN(c2ccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c[nH+]2)C[C@H](C)O1 ZINC000479476451 894800035 /nfs/dbraw/zinc/80/00/35/894800035.db2.gz QMXKYGJGSYPACO-PYKUMBDDSA-N 2 2 406.574 4.303 20 0 HIADLP C[C@@H]1CN(c2ccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c[nH+]2)C[C@H](C)O1 ZINC000479476451 894800041 /nfs/dbraw/zinc/80/00/41/894800041.db2.gz QMXKYGJGSYPACO-PYKUMBDDSA-N 2 2 406.574 4.303 20 0 HIADLP COc1cc(C)c([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OC ZINC000479491170 894811775 /nfs/dbraw/zinc/81/17/75/894811775.db2.gz SFWSFTUZMOIJIM-ODIFPOPNSA-N 2 2 400.485 4.468 20 0 HIADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000479565560 894861720 /nfs/dbraw/zinc/86/17/20/894861720.db2.gz KSCDTAJLMUAJGN-UHFFFAOYSA-N 2 2 408.995 4.264 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CCCC1 ZINC000479877817 895221065 /nfs/dbraw/zinc/22/10/65/895221065.db2.gz YTKKRCFLCMKOHE-ZODMCCGTSA-N 2 2 407.602 4.332 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCCC1 ZINC000479877817 895221085 /nfs/dbraw/zinc/22/10/85/895221085.db2.gz YTKKRCFLCMKOHE-ZODMCCGTSA-N 2 2 407.602 4.332 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N1CCCC1 ZINC000479877649 895221209 /nfs/dbraw/zinc/22/12/09/895221209.db2.gz YTKKRCFLCMKOHE-GPUOULLFSA-N 2 2 407.602 4.332 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N1CCCC1 ZINC000479877649 895221224 /nfs/dbraw/zinc/22/12/24/895221224.db2.gz YTKKRCFLCMKOHE-GPUOULLFSA-N 2 2 407.602 4.332 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Br)ccc1F ZINC000479898411 895245943 /nfs/dbraw/zinc/24/59/43/895245943.db2.gz HBHGYHDCGDOJFI-OAHLLOKOSA-N 2 2 407.327 4.271 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCCC2)cc1 ZINC000480086226 895446291 /nfs/dbraw/zinc/44/62/91/895446291.db2.gz AHAXIZBDSIWHFL-BYXVTNLJSA-N 2 2 407.602 4.332 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCCC2)cc1 ZINC000480086226 895446311 /nfs/dbraw/zinc/44/63/11/895446311.db2.gz AHAXIZBDSIWHFL-BYXVTNLJSA-N 2 2 407.602 4.332 20 0 HIADLP C[C@H](c1cccc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1)[NH+]1CCOCC1 ZINC000480542105 895904225 /nfs/dbraw/zinc/90/42/25/895904225.db2.gz RQZPRFLWEVXEQK-HXUWFJFHSA-N 2 2 416.610 4.246 20 0 HIADLP Cc1c([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)nnn1-c1cccc(Cl)c1 ZINC000480547319 895907868 /nfs/dbraw/zinc/90/78/68/895907868.db2.gz CBEVDLYACWLZFD-KRWDZBQOSA-N 2 2 420.948 4.367 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000480612360 895978710 /nfs/dbraw/zinc/97/87/10/895978710.db2.gz LQCYVTJIFXSIQP-XLGIIRLISA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000480612360 895978715 /nfs/dbraw/zinc/97/87/15/895978715.db2.gz LQCYVTJIFXSIQP-XLGIIRLISA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000480612360 895978720 /nfs/dbraw/zinc/97/87/20/895978720.db2.gz LQCYVTJIFXSIQP-XLGIIRLISA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000480612360 895978725 /nfs/dbraw/zinc/97/87/25/895978725.db2.gz LQCYVTJIFXSIQP-XLGIIRLISA-N 3 2 406.618 4.456 20 0 HIADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(-c4cccc(F)c4F)o3)cc2)CC1 ZINC000480633992 896004515 /nfs/dbraw/zinc/00/45/15/896004515.db2.gz HHDOQXHNCPJRRW-UHFFFAOYSA-N 2 2 411.496 4.262 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1I ZINC000480787239 896152618 /nfs/dbraw/zinc/15/26/18/896152618.db2.gz QWCIQXXJDYIBKX-OAHLLOKOSA-N 2 2 417.294 4.387 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000481005629 896336243 /nfs/dbraw/zinc/33/62/43/896336243.db2.gz FSNOLUOMDDBEPL-DHIUTWEWSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000481005629 896336257 /nfs/dbraw/zinc/33/62/57/896336257.db2.gz FSNOLUOMDDBEPL-DHIUTWEWSA-N 2 2 400.611 4.358 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481177478 896515208 /nfs/dbraw/zinc/51/52/08/896515208.db2.gz ZXIOKAQFQGUCKB-FUHIMQAGSA-N 2 2 415.965 4.176 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481177478 896515227 /nfs/dbraw/zinc/51/52/27/896515227.db2.gz ZXIOKAQFQGUCKB-FUHIMQAGSA-N 2 2 415.965 4.176 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000481178865 896517671 /nfs/dbraw/zinc/51/76/71/896517671.db2.gz XEWYKDBZVGCEQU-KEXUJGGDSA-N 2 2 413.993 4.406 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000481178865 896517687 /nfs/dbraw/zinc/51/76/87/896517687.db2.gz XEWYKDBZVGCEQU-KEXUJGGDSA-N 2 2 413.993 4.406 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000481182631 896523793 /nfs/dbraw/zinc/52/37/93/896523793.db2.gz YTQKPAMCWZBRSW-CRAIPNDOSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000481182631 896523809 /nfs/dbraw/zinc/52/38/09/896523809.db2.gz YTQKPAMCWZBRSW-CRAIPNDOSA-N 2 2 406.357 4.432 20 0 HIADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCCO2 ZINC000481206734 896559889 /nfs/dbraw/zinc/55/98/89/896559889.db2.gz PFEQOBWFZFDXDK-QHCPKHFHSA-N 2 2 410.558 4.018 20 0 HIADLP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481319821 896673136 /nfs/dbraw/zinc/67/31/36/896673136.db2.gz HDKGLHGQOXAQKD-NRFANRHFSA-N 2 2 419.338 4.198 20 0 HIADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000481395485 896802799 /nfs/dbraw/zinc/80/27/99/896802799.db2.gz BSNFSILKOXSQQP-HNAYVOBHSA-N 2 2 408.384 4.020 20 0 HIADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481418848 896821785 /nfs/dbraw/zinc/82/17/85/896821785.db2.gz UTZLGEDPSSJNPT-QGZVFWFLSA-N 2 2 403.592 4.137 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(I)cc1 ZINC000481569386 896948263 /nfs/dbraw/zinc/94/82/63/896948263.db2.gz UFZYBZDYDMTZLJ-AWEZNQCLSA-N 2 2 403.267 4.328 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481572872 896951879 /nfs/dbraw/zinc/95/18/79/896951879.db2.gz NFTNCMDTGYIQKF-SFHVURJKSA-N 2 2 409.555 4.439 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000482120263 897574655 /nfs/dbraw/zinc/57/46/55/897574655.db2.gz AWHYGXNCDVDGGY-INMHGKMJSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000482120263 897574669 /nfs/dbraw/zinc/57/46/69/897574669.db2.gz AWHYGXNCDVDGGY-INMHGKMJSA-N 2 2 416.393 4.047 20 0 HIADLP COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)o2)cc1 ZINC000482195581 897669302 /nfs/dbraw/zinc/66/93/02/897669302.db2.gz ATRJWOMPYGVZDZ-UHFFFAOYSA-N 2 2 401.466 4.268 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(Cl)sc1Cl ZINC000482236130 897716431 /nfs/dbraw/zinc/71/64/31/897716431.db2.gz BBOGVJWOHVQMFQ-LBPRGKRZSA-N 2 2 400.375 4.197 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1)C1CC1 ZINC000505528141 914221711 /nfs/dbraw/zinc/22/17/11/914221711.db2.gz YVXHECXTKUXZRL-FQEVSTJZSA-N 2 2 421.585 4.199 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1)C1CC1 ZINC000505528141 914221737 /nfs/dbraw/zinc/22/17/37/914221737.db2.gz YVXHECXTKUXZRL-FQEVSTJZSA-N 2 2 421.585 4.199 20 0 HIADLP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1OC ZINC000482558433 898150719 /nfs/dbraw/zinc/15/07/19/898150719.db2.gz SVXAZGXSORINRS-HOTGVXAUSA-N 2 2 419.516 4.146 20 0 HIADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000482570828 898165612 /nfs/dbraw/zinc/16/56/12/898165612.db2.gz DAHPMHZHMGHXQJ-UHFFFAOYSA-N 2 2 412.622 4.208 20 0 HIADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1OC1CCCC1 ZINC000482951323 898579161 /nfs/dbraw/zinc/57/91/61/898579161.db2.gz UCPPGNXMKLDEQJ-XXBNENTESA-N 2 2 409.574 4.412 20 0 HIADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1OC1CCCC1 ZINC000482951323 898579177 /nfs/dbraw/zinc/57/91/77/898579177.db2.gz UCPPGNXMKLDEQJ-XXBNENTESA-N 2 2 409.574 4.412 20 0 HIADLP Cc1cc[nH+]c(N2CCN(C(=O)Nc3cccc(Cn4cc[nH+]c4C(C)C)c3)CC2)c1 ZINC000483021067 898679771 /nfs/dbraw/zinc/67/97/71/898679771.db2.gz BYUQLIANUTYVPP-UHFFFAOYSA-N 2 2 418.545 4.112 20 0 HIADLP CN(C(=O)c1ccc(F)c2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000484074988 899707869 /nfs/dbraw/zinc/70/78/69/899707869.db2.gz QVYWZBGLPNJILE-RPWUZVMVSA-N 2 2 411.565 4.388 20 0 HIADLP CN(C(=O)c1ccc(F)c2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000484074988 899707887 /nfs/dbraw/zinc/70/78/87/899707887.db2.gz QVYWZBGLPNJILE-RPWUZVMVSA-N 2 2 411.565 4.388 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000484146706 899766833 /nfs/dbraw/zinc/76/68/33/899766833.db2.gz ZFKGNSRYRNUUOP-CUWPLCDZSA-N 2 2 404.501 4.130 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000484146706 899766840 /nfs/dbraw/zinc/76/68/40/899766840.db2.gz ZFKGNSRYRNUUOP-CUWPLCDZSA-N 2 2 404.501 4.130 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000484148994 899769881 /nfs/dbraw/zinc/76/98/81/899769881.db2.gz SNNXDGKHOVKRPE-HOYKHHGWSA-N 2 2 424.976 4.122 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000484148994 899769890 /nfs/dbraw/zinc/76/98/90/899769890.db2.gz SNNXDGKHOVKRPE-HOYKHHGWSA-N 2 2 424.976 4.122 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000484156113 899776707 /nfs/dbraw/zinc/77/67/07/899776707.db2.gz BYQXYGMPWZTAIN-WMQCIHAUSA-N 2 2 402.991 4.350 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000484156113 899776717 /nfs/dbraw/zinc/77/67/17/899776717.db2.gz BYQXYGMPWZTAIN-WMQCIHAUSA-N 2 2 402.991 4.350 20 0 HIADLP COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000484508172 899999483 /nfs/dbraw/zinc/99/94/83/899999483.db2.gz ZPLVENFKRPCRBT-MOPGFXCFSA-N 2 2 406.530 4.067 20 0 HIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000484646402 900091459 /nfs/dbraw/zinc/09/14/59/900091459.db2.gz XSYOHWZEURKNKE-YLJYHZDGSA-N 2 2 407.480 4.331 20 0 HIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000484646402 900091468 /nfs/dbraw/zinc/09/14/68/900091468.db2.gz XSYOHWZEURKNKE-YLJYHZDGSA-N 2 2 407.480 4.331 20 0 HIADLP CCCc1nc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000486356698 901527237 /nfs/dbraw/zinc/52/72/37/901527237.db2.gz XCGDQOHDCHDRRQ-RTBURBONSA-N 2 2 421.655 4.205 20 0 HIADLP CCCc1nc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000486356698 901527247 /nfs/dbraw/zinc/52/72/47/901527247.db2.gz XCGDQOHDCHDRRQ-RTBURBONSA-N 2 2 421.655 4.205 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486506691 901657342 /nfs/dbraw/zinc/65/73/42/901657342.db2.gz OKAONBCJPHRNPC-VXKWHMMOSA-N 2 2 404.574 4.189 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486506691 901657350 /nfs/dbraw/zinc/65/73/50/901657350.db2.gz OKAONBCJPHRNPC-VXKWHMMOSA-N 2 2 404.574 4.189 20 0 HIADLP CC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000487398096 902181127 /nfs/dbraw/zinc/18/11/27/902181127.db2.gz PHCNKADMARXWDF-UHFFFAOYSA-N 2 2 413.472 4.148 20 0 HIADLP CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000487398096 902181137 /nfs/dbraw/zinc/18/11/37/902181137.db2.gz PHCNKADMARXWDF-UHFFFAOYSA-N 2 2 413.472 4.148 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000489354498 903343331 /nfs/dbraw/zinc/34/33/31/903343331.db2.gz AHJQNXOIXGFASJ-IBGZPJMESA-N 2 2 424.614 4.147 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000489354498 903343347 /nfs/dbraw/zinc/34/33/47/903343347.db2.gz AHJQNXOIXGFASJ-IBGZPJMESA-N 2 2 424.614 4.147 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000489419303 903375844 /nfs/dbraw/zinc/37/58/44/903375844.db2.gz CCFKHRHZDQYLFU-KRWDZBQOSA-N 2 2 400.954 4.301 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000489419303 903375858 /nfs/dbraw/zinc/37/58/58/903375858.db2.gz CCFKHRHZDQYLFU-KRWDZBQOSA-N 2 2 400.954 4.301 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000489424327 903377420 /nfs/dbraw/zinc/37/74/20/903377420.db2.gz RHZLQTGCYJTOAX-JOCHJYFZSA-N 2 2 422.617 4.446 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000489424327 903377434 /nfs/dbraw/zinc/37/74/34/903377434.db2.gz RHZLQTGCYJTOAX-JOCHJYFZSA-N 2 2 422.617 4.446 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)c(F)c1 ZINC000489565769 903468175 /nfs/dbraw/zinc/46/81/75/903468175.db2.gz GDFOYAXMUZFRDL-HNNXBMFYSA-N 2 2 407.327 4.271 20 0 HIADLP COCC[NH+]1CCC([NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000490117820 903774883 /nfs/dbraw/zinc/77/48/83/903774883.db2.gz IJOIEQBPJJDRNW-OAQYLSRUSA-N 2 2 421.354 4.378 20 0 HIADLP OC1CC[NH+](CCC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000490163701 903804224 /nfs/dbraw/zinc/80/42/24/903804224.db2.gz GFAJTRVLVUNJKA-OAQYLSRUSA-N 2 2 421.354 4.114 20 0 HIADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000490168445 903806744 /nfs/dbraw/zinc/80/67/44/903806744.db2.gz VRIPSZYJSKZSFJ-ZHRRBRCNSA-N 2 2 407.936 4.323 20 0 HIADLP Cc1nc([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490632579 904147703 /nfs/dbraw/zinc/14/77/03/904147703.db2.gz WWKUMPVIUMSAKE-DJPFJPOOSA-N 2 2 416.997 4.322 20 0 HIADLP Cc1nc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490632579 904147717 /nfs/dbraw/zinc/14/77/17/904147717.db2.gz WWKUMPVIUMSAKE-DJPFJPOOSA-N 2 2 416.997 4.322 20 0 HIADLP C[C@@H]1C[N@H+](CCSc2cc(Cl)ccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490957111 904336061 /nfs/dbraw/zinc/33/60/61/904336061.db2.gz CMAPYXIRHXLSRY-QAPCUYQASA-N 2 2 402.435 4.043 20 0 HIADLP C[C@@H]1C[N@@H+](CCSc2cc(Cl)ccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490957111 904336072 /nfs/dbraw/zinc/33/60/72/904336072.db2.gz CMAPYXIRHXLSRY-QAPCUYQASA-N 2 2 402.435 4.043 20 0 HIADLP COc1ccc(-c2nc(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)no2)cc1 ZINC000491029539 904381409 /nfs/dbraw/zinc/38/14/09/904381409.db2.gz SMFXMJCUYIPHTQ-UHFFFAOYSA-N 2 2 406.530 4.089 20 0 HIADLP COc1ccc(-c2nc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)no2)cc1 ZINC000491029539 904381425 /nfs/dbraw/zinc/38/14/25/904381425.db2.gz SMFXMJCUYIPHTQ-UHFFFAOYSA-N 2 2 406.530 4.089 20 0 HIADLP CC(C)C[C@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000491875138 904717821 /nfs/dbraw/zinc/71/78/21/904717821.db2.gz JLSVYJALKPDWMJ-SIKLNZKXSA-N 2 2 420.561 4.213 20 0 HIADLP C[C@@H]([NH2+]C1(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCCC1)c1ccccc1 ZINC000492236970 904822149 /nfs/dbraw/zinc/82/21/49/904822149.db2.gz OICMJIPXPOIOKM-LJQANCHMSA-N 2 2 418.545 4.112 20 0 HIADLP COc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000493252796 905070400 /nfs/dbraw/zinc/07/04/00/905070400.db2.gz WPMAYZJDDYDLHN-FTJBHMTQSA-N 2 2 402.538 4.011 20 0 HIADLP COc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000493252796 905070418 /nfs/dbraw/zinc/07/04/18/905070418.db2.gz WPMAYZJDDYDLHN-FTJBHMTQSA-N 2 2 402.538 4.011 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Br)cs1 ZINC000493914451 905265243 /nfs/dbraw/zinc/26/52/43/905265243.db2.gz AEBVQFXBGDMCSB-ZVZYQTTQSA-N 2 2 409.393 4.044 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Br)cs1 ZINC000493914451 905265258 /nfs/dbraw/zinc/26/52/58/905265258.db2.gz AEBVQFXBGDMCSB-ZVZYQTTQSA-N 2 2 409.393 4.044 20 0 HIADLP Brc1ccc(OCc2ccccc2)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494395010 905689960 /nfs/dbraw/zinc/68/99/60/905689960.db2.gz WTPXYEPEGVZVBU-IBGZPJMESA-N 2 2 412.331 4.329 20 0 HIADLP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000495023415 906182880 /nfs/dbraw/zinc/18/28/80/906182880.db2.gz GVKSMFTWWCGNNP-RPWUZVMVSA-N 2 2 423.605 4.169 20 0 HIADLP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000495023412 906183068 /nfs/dbraw/zinc/18/30/68/906183068.db2.gz GVKSMFTWWCGNNP-DNQXCXABSA-N 2 2 423.605 4.169 20 0 HIADLP COc1ccc([C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c2ccccc2)cc1 ZINC000495069852 906220607 /nfs/dbraw/zinc/22/06/07/906220607.db2.gz UYLQQPOIUMYCIY-RCZVLFRGSA-N 2 2 402.542 4.432 20 0 HIADLP CC[NH+](CC)Cc1cccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000495380060 906416138 /nfs/dbraw/zinc/41/61/38/906416138.db2.gz QIKYFXYFEIOJQE-UHFFFAOYSA-N 2 2 410.587 4.034 20 0 HIADLP Cc1nc2sc3c(c2c(NC2CC[NH+](C4CC[NH+](C)CC4)CC2)n1)CCCCC3 ZINC000496222308 906630654 /nfs/dbraw/zinc/63/06/54/906630654.db2.gz MIVSRBXJSCVTCP-UHFFFAOYSA-N 2 2 413.635 4.239 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC000512618656 921263731 /nfs/dbraw/zinc/26/37/31/921263731.db2.gz JMTWMQWDCAKYEF-GSDHBNRESA-N 3 2 414.597 4.364 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC000512618656 921263742 /nfs/dbraw/zinc/26/37/42/921263742.db2.gz JMTWMQWDCAKYEF-GSDHBNRESA-N 3 2 414.597 4.364 20 0 HIADLP CC[C@H](c1ccc(Br)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497491681 906973888 /nfs/dbraw/zinc/97/38/88/906973888.db2.gz GFCQCDHLMAJYLL-JGUMPVPUSA-N 2 2 406.412 4.143 20 0 HIADLP CC[C@H](c1ccc(Br)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497491681 906973909 /nfs/dbraw/zinc/97/39/09/906973909.db2.gz GFCQCDHLMAJYLL-JGUMPVPUSA-N 2 2 406.412 4.143 20 0 HIADLP C[C@H](C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1cccc(Br)c1 ZINC000512697718 921291189 /nfs/dbraw/zinc/29/11/89/921291189.db2.gz USDRVJZSVBLNPW-GUDVDZBRSA-N 2 2 408.428 4.043 20 0 HIADLP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000500010144 909462540 /nfs/dbraw/zinc/46/25/40/909462540.db2.gz SUJOQAUQRWRBTQ-RDPSFJRHSA-N 2 2 402.542 4.229 20 0 HIADLP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000500010144 909462558 /nfs/dbraw/zinc/46/25/58/909462558.db2.gz SUJOQAUQRWRBTQ-RDPSFJRHSA-N 2 2 402.542 4.229 20 0 HIADLP CC1(C)CC(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC(C)(C)[NH2+]1 ZINC000501050945 910260783 /nfs/dbraw/zinc/26/07/83/910260783.db2.gz CBWRUWLKBOJYHU-SFHVURJKSA-N 2 2 424.992 4.224 20 0 HIADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000502320820 911294582 /nfs/dbraw/zinc/29/45/82/911294582.db2.gz MNJIDZBVAZVJNM-QHCPKHFHSA-N 3 2 421.633 4.131 20 0 HIADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000502320820 911294604 /nfs/dbraw/zinc/29/46/04/911294604.db2.gz MNJIDZBVAZVJNM-QHCPKHFHSA-N 3 2 421.633 4.131 20 0 HIADLP Clc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc2c1OCCCO2 ZINC000502343478 911322438 /nfs/dbraw/zinc/32/24/38/911322438.db2.gz FJTBLCACEHJQEY-QGZVFWFLSA-N 2 2 401.938 4.414 20 0 HIADLP Clc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc2c1OCCCO2 ZINC000502343478 911322456 /nfs/dbraw/zinc/32/24/56/911322456.db2.gz FJTBLCACEHJQEY-QGZVFWFLSA-N 2 2 401.938 4.414 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000503074495 912043239 /nfs/dbraw/zinc/04/32/39/912043239.db2.gz LJIDVKHXGNBVCT-YSZBQJHXSA-N 2 2 404.514 4.155 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000503074495 912043250 /nfs/dbraw/zinc/04/32/50/912043250.db2.gz LJIDVKHXGNBVCT-YSZBQJHXSA-N 2 2 404.514 4.155 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503075493 912045906 /nfs/dbraw/zinc/04/59/06/912045906.db2.gz VCZKVDPDQKSCTE-DVECYGJZSA-N 2 2 415.541 4.099 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503075493 912045920 /nfs/dbraw/zinc/04/59/20/912045920.db2.gz VCZKVDPDQKSCTE-DVECYGJZSA-N 2 2 415.541 4.099 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503088729 912059001 /nfs/dbraw/zinc/05/90/01/912059001.db2.gz UUCWMCHAEWRNLO-WIOPSUGQSA-N 2 2 416.569 4.038 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503088729 912059016 /nfs/dbraw/zinc/05/90/16/912059016.db2.gz UUCWMCHAEWRNLO-WIOPSUGQSA-N 2 2 416.569 4.038 20 0 HIADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000513338987 921725622 /nfs/dbraw/zinc/72/56/22/921725622.db2.gz URCPKYRKGKFHIB-QGZVFWFLSA-N 2 2 420.956 4.335 20 0 HIADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000513338987 921725654 /nfs/dbraw/zinc/72/56/54/921725654.db2.gz URCPKYRKGKFHIB-QGZVFWFLSA-N 2 2 420.956 4.335 20 0 HIADLP C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506939337 915743933 /nfs/dbraw/zinc/74/39/33/915743933.db2.gz YWJPOYOSPJDHCM-QGZVFWFLSA-N 2 2 401.551 4.006 20 0 HIADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506939337 915743939 /nfs/dbraw/zinc/74/39/39/915743939.db2.gz YWJPOYOSPJDHCM-QGZVFWFLSA-N 2 2 401.551 4.006 20 0 HIADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507065050 915849733 /nfs/dbraw/zinc/84/97/33/915849733.db2.gz OJYVEHCIHRAZOA-QFIPXVFZSA-N 2 2 423.605 4.150 20 0 HIADLP CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[NH+]1CCCC1 ZINC000507090446 915863739 /nfs/dbraw/zinc/86/37/39/915863739.db2.gz YMTBSEXBCFZLQM-IFMALSPDSA-N 2 2 415.626 4.009 20 0 HIADLP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000507462660 916230719 /nfs/dbraw/zinc/23/07/19/916230719.db2.gz ZTCNAGPAEGRESW-UHFFFAOYSA-N 2 2 422.617 4.214 20 0 HIADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000507462660 916230740 /nfs/dbraw/zinc/23/07/40/916230740.db2.gz ZTCNAGPAEGRESW-UHFFFAOYSA-N 2 2 422.617 4.214 20 0 HIADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000507483565 916251850 /nfs/dbraw/zinc/25/18/50/916251850.db2.gz HQEUSZDCMBMLFM-HYBUGGRVSA-N 2 2 420.601 4.235 20 0 HIADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000507483565 916251871 /nfs/dbraw/zinc/25/18/71/916251871.db2.gz HQEUSZDCMBMLFM-HYBUGGRVSA-N 2 2 420.601 4.235 20 0 HIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(c3ccccc3Br)CC2)CC1 ZINC000507504963 916270401 /nfs/dbraw/zinc/27/04/01/916270401.db2.gz DAGPDBDKUOKBRD-UHFFFAOYSA-N 2 2 405.302 4.487 20 0 HIADLP Cn1ccnc1[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1Cl ZINC000507887156 916733718 /nfs/dbraw/zinc/73/37/18/916733718.db2.gz FGJGZFBDSFVPER-QFIPXVFZSA-N 2 2 424.980 4.200 20 0 HIADLP Brc1ccc2oc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)nc2c1 ZINC000509021654 917774973 /nfs/dbraw/zinc/77/49/73/917774973.db2.gz KZSLFCIPWQWKHW-UHFFFAOYSA-N 2 2 403.324 4.479 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC(C)C ZINC000509860424 918463381 /nfs/dbraw/zinc/46/33/81/918463381.db2.gz QZEDSHURDBLSIM-VWPQPMDRSA-N 2 2 418.626 4.174 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC(C)C ZINC000509860424 918463384 /nfs/dbraw/zinc/46/33/84/918463384.db2.gz QZEDSHURDBLSIM-VWPQPMDRSA-N 2 2 418.626 4.174 20 0 HIADLP COc1ccc([C@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+]2CCCCC2)cc1 ZINC000510183563 918732111 /nfs/dbraw/zinc/73/21/11/918732111.db2.gz VGGANPQRZMWNPJ-DEOSSOPVSA-N 2 2 418.541 4.146 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000510524809 918970891 /nfs/dbraw/zinc/97/08/91/918970891.db2.gz QVQIEVIWUUXJBA-MRXNPFEDSA-N 2 2 414.351 4.354 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000510524809 918970898 /nfs/dbraw/zinc/97/08/98/918970898.db2.gz QVQIEVIWUUXJBA-MRXNPFEDSA-N 2 2 414.351 4.354 20 0 HIADLP C[N@H+](Cc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000510719702 919163294 /nfs/dbraw/zinc/16/32/94/919163294.db2.gz LGHXKXJXDKRRED-HXUWFJFHSA-N 2 2 407.562 4.247 20 0 HIADLP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000510719702 919163307 /nfs/dbraw/zinc/16/33/07/919163307.db2.gz LGHXKXJXDKRRED-HXUWFJFHSA-N 2 2 407.562 4.247 20 0 HIADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccccc2-c2ccnn2C)CCOCC1)c1ccccc1 ZINC000511168933 919790181 /nfs/dbraw/zinc/79/01/81/919790181.db2.gz JFMDWCHENYBQBO-FQEVSTJZSA-N 2 2 404.558 4.077 20 0 HIADLP CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C[N@H+](CC)C4CC4)cc3)CC2)cc1 ZINC000511325329 919916881 /nfs/dbraw/zinc/91/68/81/919916881.db2.gz YWIWPXBEMQTSFJ-UHFFFAOYSA-N 2 2 421.585 4.028 20 0 HIADLP CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C[N@@H+](CC)C4CC4)cc3)CC2)cc1 ZINC000511325329 919916897 /nfs/dbraw/zinc/91/68/97/919916897.db2.gz YWIWPXBEMQTSFJ-UHFFFAOYSA-N 2 2 421.585 4.028 20 0 HIADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000512007191 920778414 /nfs/dbraw/zinc/77/84/14/920778414.db2.gz IRHVMNCLDXNBHW-PXAZEXFGSA-N 2 2 423.932 4.103 20 0 HIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1C ZINC000513563813 921897552 /nfs/dbraw/zinc/89/75/52/921897552.db2.gz NJEURISKRWZWQM-UHFFFAOYSA-N 2 2 418.585 4.045 20 0 HIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C2CC[NH+](CCO)CC2)cc1C ZINC000513563813 921897559 /nfs/dbraw/zinc/89/75/59/921897559.db2.gz NJEURISKRWZWQM-UHFFFAOYSA-N 2 2 418.585 4.045 20 0 HIADLP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)C1CC[NH+](CCO)CC1 ZINC000513570692 921902945 /nfs/dbraw/zinc/90/29/45/921902945.db2.gz DGEYDLXXMFNJMZ-UHFFFAOYSA-N 2 2 424.976 4.081 20 0 HIADLP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)C1CC[NH+](CCO)CC1 ZINC000513570692 921902951 /nfs/dbraw/zinc/90/29/51/921902951.db2.gz DGEYDLXXMFNJMZ-UHFFFAOYSA-N 2 2 424.976 4.081 20 0 HIADLP CCC1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000514046382 922366440 /nfs/dbraw/zinc/36/64/40/922366440.db2.gz QXCRLTVLQWTBCE-UHFFFAOYSA-N 2 2 416.569 4.354 20 0 HIADLP COC(=O)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(Br)c1 ZINC000514891217 922834694 /nfs/dbraw/zinc/83/46/94/922834694.db2.gz QLFWHNZPCLIEDM-UHFFFAOYSA-N 2 2 420.351 4.125 20 0 HIADLP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1OC ZINC000516559641 923795287 /nfs/dbraw/zinc/79/52/87/923795287.db2.gz KDPUBOITGNALSB-AZUAARDMSA-N 2 2 400.950 4.311 20 0 HIADLP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1OC ZINC000516559641 923795292 /nfs/dbraw/zinc/79/52/92/923795292.db2.gz KDPUBOITGNALSB-AZUAARDMSA-N 2 2 400.950 4.311 20 0 HIADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1OC ZINC000516559641 923795304 /nfs/dbraw/zinc/79/53/04/923795304.db2.gz KDPUBOITGNALSB-AZUAARDMSA-N 2 2 400.950 4.311 20 0 HIADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)c1OC ZINC000516559641 923795314 /nfs/dbraw/zinc/79/53/14/923795314.db2.gz KDPUBOITGNALSB-AZUAARDMSA-N 2 2 400.950 4.311 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000517686946 926789774 /nfs/dbraw/zinc/78/97/74/926789774.db2.gz MTPWACYOVLMPDC-HXUWFJFHSA-N 2 2 417.557 4.104 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000517686946 926789788 /nfs/dbraw/zinc/78/97/88/926789788.db2.gz MTPWACYOVLMPDC-HXUWFJFHSA-N 2 2 417.557 4.104 20 0 HIADLP CC(C)C[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000517714398 926810146 /nfs/dbraw/zinc/81/01/46/926810146.db2.gz KYZFQAXJNCZGQA-YKSBVNFPSA-N 2 2 404.558 4.427 20 0 HIADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000520177592 928369213 /nfs/dbraw/zinc/36/92/13/928369213.db2.gz HUYZIWWMGDVWJF-HSZRJFAPSA-N 2 2 409.599 4.401 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000521008065 928924948 /nfs/dbraw/zinc/92/49/48/928924948.db2.gz POCVSUISDXWZKL-NHCUHLMSSA-N 2 2 421.585 4.147 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(Cc4cccc(Cl)c4)CCCC3)CC2)CC1 ZINC000524647715 929760820 /nfs/dbraw/zinc/76/08/20/929760820.db2.gz QYRDYDKIQQCGJF-UHFFFAOYSA-N 2 2 418.025 4.118 20 0 HIADLP C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000524829649 929848831 /nfs/dbraw/zinc/84/88/31/929848831.db2.gz VOEIRPIMRZWNCD-IBGZPJMESA-N 2 2 421.545 4.213 20 0 HIADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000524884190 929872021 /nfs/dbraw/zinc/87/20/21/929872021.db2.gz VYHSQLFRYXYVQD-GCJKJVERSA-N 2 2 412.480 4.197 20 0 HIADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000524884190 929872022 /nfs/dbraw/zinc/87/20/22/929872022.db2.gz VYHSQLFRYXYVQD-GCJKJVERSA-N 2 2 412.480 4.197 20 0 HIADLP C[NH+](C)CCOc1ccc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)cc1 ZINC000526120231 930539731 /nfs/dbraw/zinc/53/97/31/930539731.db2.gz WMWOCMUMTWHFJU-OAQYLSRUSA-N 2 2 410.493 4.153 20 0 HIADLP C[NH+](C)CCOc1ccc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)cc1 ZINC000526120231 930539735 /nfs/dbraw/zinc/53/97/35/930539735.db2.gz WMWOCMUMTWHFJU-OAQYLSRUSA-N 2 2 410.493 4.153 20 0 HIADLP CC[NH+](CC)CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000530282367 930675618 /nfs/dbraw/zinc/67/56/18/930675618.db2.gz HIVIILSVKNRQPR-UHFFFAOYSA-N 2 2 405.587 4.216 20 0 HIADLP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1c(F)cccc1Cl ZINC000531204595 930964829 /nfs/dbraw/zinc/96/48/29/930964829.db2.gz KCYABKRUOMFIBY-SJORKVTESA-N 2 2 417.956 4.299 20 0 HIADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000531691443 931156046 /nfs/dbraw/zinc/15/60/46/931156046.db2.gz BCIUCKWRYXAJMM-OAHLLOKOSA-N 2 2 406.452 4.076 20 0 HIADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc(Br)ccc1F ZINC000531703586 931165931 /nfs/dbraw/zinc/16/59/31/931165931.db2.gz MAVXPXVMJKIETJ-KKSFZXQISA-N 2 2 420.370 4.228 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000531959356 931265840 /nfs/dbraw/zinc/26/58/40/931265840.db2.gz YTQBTUWUKDTGMZ-RBUKOAKNSA-N 3 2 421.564 4.483 20 0 HIADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(F)cc1Br ZINC000531965886 931268493 /nfs/dbraw/zinc/26/84/93/931268493.db2.gz RCDCTZZCKAZMST-KKSFZXQISA-N 2 2 420.370 4.228 20 0 HIADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000532196199 931345344 /nfs/dbraw/zinc/34/53/44/931345344.db2.gz MLYPISJTFXJIDM-INIZCTEOSA-N 2 2 416.447 4.457 20 0 HIADLP Fc1cccc(Cl)c1[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)N1CCCC1 ZINC000532198081 931346363 /nfs/dbraw/zinc/34/63/63/931346363.db2.gz XXRMAPMHKBNGNN-FQEVSTJZSA-N 2 2 402.945 4.270 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(C(F)(F)F)c1 ZINC000532345686 931402084 /nfs/dbraw/zinc/40/20/84/931402084.db2.gz IFVAUICLZPFFAV-DBVUQKKJSA-N 2 2 422.495 4.395 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000532461741 931445898 /nfs/dbraw/zinc/44/58/98/931445898.db2.gz QNXDIZZOTZSHDW-VEXUSMLFSA-N 2 2 413.009 4.372 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000532461741 931445900 /nfs/dbraw/zinc/44/59/00/931445900.db2.gz QNXDIZZOTZSHDW-VEXUSMLFSA-N 2 2 413.009 4.372 20 0 HIADLP CC[N@H+](CC(=O)N(CC(C)C)C(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532734164 931617039 /nfs/dbraw/zinc/61/70/39/931617039.db2.gz HEGNARPHLLQNEG-UHFFFAOYSA-N 2 2 417.642 4.092 20 0 HIADLP CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532734164 931617046 /nfs/dbraw/zinc/61/70/46/931617046.db2.gz HEGNARPHLLQNEG-UHFFFAOYSA-N 2 2 417.642 4.092 20 0 HIADLP C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000533240627 931816759 /nfs/dbraw/zinc/81/67/59/931816759.db2.gz YARJFEBXGUYRJP-UHFFFAOYSA-N 4 2 404.687 4.057 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccc(C[NH+](C)[C@H]3CC[N@@H+](CC)[C@@H](C)C3)cc2)C[C@H]1C ZINC000533447510 931871950 /nfs/dbraw/zinc/87/19/50/931871950.db2.gz NFDOTPGOVLCRNK-MNHALERFSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccc(C[NH+](C)[C@H]3CC[N@H+](CC)[C@@H](C)C3)cc2)C[C@H]1C ZINC000533447510 931871954 /nfs/dbraw/zinc/87/19/54/931871954.db2.gz NFDOTPGOVLCRNK-MNHALERFSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccc(C[N@@H+](C)[C@H]3CC[NH+](CC)[C@@H](C)C3)cc2)C[C@H]1C ZINC000533447510 931871956 /nfs/dbraw/zinc/87/19/56/931871956.db2.gz NFDOTPGOVLCRNK-MNHALERFSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccc(C[N@H+](C)[C@H]3CC[NH+](CC)[C@@H](C)C3)cc2)C[C@H]1C ZINC000533447510 931871958 /nfs/dbraw/zinc/87/19/58/931871958.db2.gz NFDOTPGOVLCRNK-MNHALERFSA-N 4 2 414.682 4.296 20 0 HIADLP CN(C(=O)[C@H]1CCSc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646847 931943266 /nfs/dbraw/zinc/94/32/66/931943266.db2.gz DOEGDCGDMBVQJI-BHDDXSALSA-N 2 2 415.647 4.062 20 0 HIADLP CN(C(=O)[C@H]1CCSc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646847 931943268 /nfs/dbraw/zinc/94/32/68/931943268.db2.gz DOEGDCGDMBVQJI-BHDDXSALSA-N 2 2 415.647 4.062 20 0 HIADLP CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650304 931946522 /nfs/dbraw/zinc/94/65/22/931946522.db2.gz WBDAIIZBEJKVTK-VQTJNVASSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650304 931946528 /nfs/dbraw/zinc/94/65/28/931946528.db2.gz WBDAIIZBEJKVTK-VQTJNVASSA-N 2 2 411.512 4.115 20 0 HIADLP CC(C)[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000533663238 931956321 /nfs/dbraw/zinc/95/63/21/931956321.db2.gz WKWAYJVJJZFCLD-HJOGWXRNSA-N 2 2 414.638 4.362 20 0 HIADLP CC(C)[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000533663238 931956327 /nfs/dbraw/zinc/95/63/27/931956327.db2.gz WKWAYJVJJZFCLD-HJOGWXRNSA-N 2 2 414.638 4.362 20 0 HIADLP CC(C)c1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533672912 931962835 /nfs/dbraw/zinc/96/28/35/931962835.db2.gz YZXODIYJPCAUGP-RPWUZVMVSA-N 2 2 414.638 4.289 20 0 HIADLP CC(C)c1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533672912 931962841 /nfs/dbraw/zinc/96/28/41/931962841.db2.gz YZXODIYJPCAUGP-RPWUZVMVSA-N 2 2 414.638 4.289 20 0 HIADLP Cc1ccccc1-c1cnc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000533816880 932044773 /nfs/dbraw/zinc/04/47/73/932044773.db2.gz CIEJVSKNKIYBBP-UHFFFAOYSA-N 3 2 410.606 4.278 20 0 HIADLP Cc1ccccc1-c1cnc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000533816880 932044778 /nfs/dbraw/zinc/04/47/78/932044778.db2.gz CIEJVSKNKIYBBP-UHFFFAOYSA-N 3 2 410.606 4.278 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000534360692 932394027 /nfs/dbraw/zinc/39/40/27/932394027.db2.gz PDVYRFRCSONNPB-SZMVWBNQSA-N 2 2 412.043 4.301 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000534360692 932394031 /nfs/dbraw/zinc/39/40/31/932394031.db2.gz PDVYRFRCSONNPB-SZMVWBNQSA-N 2 2 412.043 4.301 20 0 HIADLP Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360825 932394122 /nfs/dbraw/zinc/39/41/22/932394122.db2.gz QNENXAHGHUBCAP-YADHBBJMSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360825 932394129 /nfs/dbraw/zinc/39/41/29/932394129.db2.gz QNENXAHGHUBCAP-YADHBBJMSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1ccc2nc(C)c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000534361473 932394882 /nfs/dbraw/zinc/39/48/82/932394882.db2.gz ZRMCFBZHPIHTAR-JWQCQUIFSA-N 2 2 422.617 4.261 20 0 HIADLP Cc1ccc2nc(C)c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000534361473 932394895 /nfs/dbraw/zinc/39/48/95/932394895.db2.gz ZRMCFBZHPIHTAR-JWQCQUIFSA-N 2 2 422.617 4.261 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000534384441 932410680 /nfs/dbraw/zinc/41/06/80/932410680.db2.gz IJIPSLQJGJETDD-WNXIRNOKSA-N 2 2 414.638 4.157 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000534384441 932410687 /nfs/dbraw/zinc/41/06/87/932410687.db2.gz IJIPSLQJGJETDD-WNXIRNOKSA-N 2 2 414.638 4.157 20 0 HIADLP CN(C(=O)NCc1cccc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534385710 932412196 /nfs/dbraw/zinc/41/21/96/932412196.db2.gz STDKCYOMYOVVRL-RPBOFIJWSA-N 2 2 422.617 4.318 20 0 HIADLP CN(C(=O)NCc1cccc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534385710 932412199 /nfs/dbraw/zinc/41/21/99/932412199.db2.gz STDKCYOMYOVVRL-RPBOFIJWSA-N 2 2 422.617 4.318 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534932319 932844290 /nfs/dbraw/zinc/84/42/90/932844290.db2.gz YDNQCZPVWJVBBQ-PMACEKPBSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534932319 932844295 /nfs/dbraw/zinc/84/42/95/932844295.db2.gz YDNQCZPVWJVBBQ-PMACEKPBSA-N 2 2 410.965 4.280 20 0 HIADLP COC(=O)c1c(C[N@H+](C)CCCn2cc[nH+]c2)nc2ccccc2c1-c1ccccc1 ZINC000534954438 932857064 /nfs/dbraw/zinc/85/70/64/932857064.db2.gz ZDNGBTXNIOGDLI-UHFFFAOYSA-N 2 2 414.509 4.407 20 0 HIADLP COC(=O)c1c(C[N@@H+](C)CCCn2cc[nH+]c2)nc2ccccc2c1-c1ccccc1 ZINC000534954438 932857066 /nfs/dbraw/zinc/85/70/66/932857066.db2.gz ZDNGBTXNIOGDLI-UHFFFAOYSA-N 2 2 414.509 4.407 20 0 HIADLP CN(C(=O)CCc1cc2ccccc2o1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096133 932911446 /nfs/dbraw/zinc/91/14/46/932911446.db2.gz PEULYKHARDWXHR-GOTSBHOMSA-N 2 2 411.590 4.161 20 0 HIADLP CN(C(=O)CCc1cc2ccccc2o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096133 932911455 /nfs/dbraw/zinc/91/14/55/932911455.db2.gz PEULYKHARDWXHR-GOTSBHOMSA-N 2 2 411.590 4.161 20 0 HIADLP CCOc1cc(C)ccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535643555 933283645 /nfs/dbraw/zinc/28/36/45/933283645.db2.gz ZSQZKKNZMJESQF-FCHUYYIVSA-N 2 2 416.610 4.195 20 0 HIADLP CCOc1cc(C)ccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535643555 933283659 /nfs/dbraw/zinc/28/36/59/933283659.db2.gz ZSQZKKNZMJESQF-FCHUYYIVSA-N 2 2 416.610 4.195 20 0 HIADLP CN(C(=O)Nc1cccc(Cl)c1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535647055 933286610 /nfs/dbraw/zinc/28/66/10/933286610.db2.gz OBCWJWMGEODWNH-RTBURBONSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cccc(Cl)c1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535647055 933286624 /nfs/dbraw/zinc/28/66/24/933286624.db2.gz OBCWJWMGEODWNH-RTBURBONSA-N 2 2 410.965 4.280 20 0 HIADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000535839375 933424587 /nfs/dbraw/zinc/42/45/87/933424587.db2.gz YGJDJIKXEYFKEB-UXHICEINSA-N 2 2 404.917 4.108 20 0 HIADLP CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848988 933430068 /nfs/dbraw/zinc/43/00/68/933430068.db2.gz JEELNPPSYZOZOB-MOPGFXCFSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848988 933430076 /nfs/dbraw/zinc/43/00/76/933430076.db2.gz JEELNPPSYZOZOB-MOPGFXCFSA-N 2 2 412.405 4.403 20 0 HIADLP Cc1nc(-c2ccco2)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850889 933434228 /nfs/dbraw/zinc/43/42/28/933434228.db2.gz UXWUPQWIYFSULU-PKTZIBPZSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1nc(-c2ccco2)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850889 933434233 /nfs/dbraw/zinc/43/42/33/933434233.db2.gz UXWUPQWIYFSULU-PKTZIBPZSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851976 933436004 /nfs/dbraw/zinc/43/60/04/933436004.db2.gz ZDNPTBHIYCERDG-RTWAWAEBSA-N 2 2 415.553 4.290 20 0 HIADLP Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851976 933436008 /nfs/dbraw/zinc/43/60/08/933436008.db2.gz ZDNPTBHIYCERDG-RTWAWAEBSA-N 2 2 415.553 4.290 20 0 HIADLP CSc1cccc([C@@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2cc(F)ccc2F)c1 ZINC000537607082 938332441 /nfs/dbraw/zinc/33/24/41/938332441.db2.gz ONYUFZPKXMSNQS-HSZRJFAPSA-N 2 2 419.585 4.393 20 0 HIADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000537748509 938368755 /nfs/dbraw/zinc/36/87/55/938368755.db2.gz IXDMXJTXCWBTRM-UHFFFAOYSA-N 3 2 415.025 4.223 20 0 HIADLP COCc1cnc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000537867211 938394700 /nfs/dbraw/zinc/39/47/00/938394700.db2.gz HBVOWKMSNCHLBB-UHFFFAOYSA-N 2 2 404.539 4.491 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054957 938487284 /nfs/dbraw/zinc/48/72/84/938487284.db2.gz ZHGGZPBMLLSKFV-UXHICEINSA-N 2 2 424.992 4.177 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054957 938487287 /nfs/dbraw/zinc/48/72/87/938487287.db2.gz ZHGGZPBMLLSKFV-UXHICEINSA-N 2 2 424.992 4.177 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4c3cc(Br)cc4F)[nH+]c2)C1 ZINC000538559166 938649261 /nfs/dbraw/zinc/64/92/61/938649261.db2.gz BEEKFIWATVUWIC-DNVCBOLYSA-N 2 2 419.342 4.223 20 0 HIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000538588215 938656416 /nfs/dbraw/zinc/65/64/16/938656416.db2.gz MXHHEZROLCEQKO-MRXNPFEDSA-N 2 2 407.562 4.015 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(Br)cs1 ZINC000538722435 938691163 /nfs/dbraw/zinc/69/11/63/938691163.db2.gz PXXXBWCWWJZOBI-UHFFFAOYSA-N 3 2 414.457 4.139 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(Br)cs1 ZINC000538722435 938691166 /nfs/dbraw/zinc/69/11/66/938691166.db2.gz PXXXBWCWWJZOBI-UHFFFAOYSA-N 3 2 414.457 4.139 20 0 HIADLP CC[N@H+](Cc1ccc(N2CCCC2)nc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538729339 938694477 /nfs/dbraw/zinc/69/44/77/938694477.db2.gz ICWMXPKDWZVESD-UHFFFAOYSA-N 2 2 422.621 4.395 20 0 HIADLP CC[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538729339 938694479 /nfs/dbraw/zinc/69/44/79/938694479.db2.gz ICWMXPKDWZVESD-UHFFFAOYSA-N 2 2 422.621 4.395 20 0 HIADLP CC[N@H+](Cc1cnc2cccc(C)n12)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538730253 938694975 /nfs/dbraw/zinc/69/49/75/938694975.db2.gz URWVGDCTMSQIQB-UHFFFAOYSA-N 2 2 406.578 4.355 20 0 HIADLP CC[N@@H+](Cc1cnc2cccc(C)n12)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538730253 938694977 /nfs/dbraw/zinc/69/49/77/938694977.db2.gz URWVGDCTMSQIQB-UHFFFAOYSA-N 2 2 406.578 4.355 20 0 HIADLP COCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000538732938 938696065 /nfs/dbraw/zinc/69/60/65/938696065.db2.gz DJCZLFQNUBXXTF-REWPJTCUSA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000538732938 938696066 /nfs/dbraw/zinc/69/60/66/938696066.db2.gz DJCZLFQNUBXXTF-REWPJTCUSA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000538732938 938696067 /nfs/dbraw/zinc/69/60/67/938696067.db2.gz DJCZLFQNUBXXTF-REWPJTCUSA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000538732938 938696068 /nfs/dbraw/zinc/69/60/68/938696068.db2.gz DJCZLFQNUBXXTF-REWPJTCUSA-N 2 2 412.574 4.205 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)c2)CC1 ZINC000538808602 938718291 /nfs/dbraw/zinc/71/82/91/938718291.db2.gz FIGWRTFVKHYNAO-UHFFFAOYSA-N 2 2 402.542 4.458 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c(C)c1 ZINC000539050227 938783338 /nfs/dbraw/zinc/78/33/38/938783338.db2.gz HLANKYXSOHJUAP-UTKZUKDTSA-N 2 2 415.534 4.135 20 0 HIADLP Cc1ccc(Cl)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539457843 938863796 /nfs/dbraw/zinc/86/37/96/938863796.db2.gz OANFBBCAUZKXCR-RTWAWAEBSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1ccc(Cl)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539457843 938863797 /nfs/dbraw/zinc/86/37/97/938863797.db2.gz OANFBBCAUZKXCR-RTWAWAEBSA-N 2 2 407.002 4.449 20 0 HIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)c(Br)c1 ZINC000539658284 938895516 /nfs/dbraw/zinc/89/55/16/938895516.db2.gz ULMUTRFJVZHTJR-CJNGLKHVSA-N 2 2 407.331 4.297 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000539818392 938942471 /nfs/dbraw/zinc/94/24/71/938942471.db2.gz YVJQSCBPQOYIOD-VQIMIIECSA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000539818392 938942476 /nfs/dbraw/zinc/94/24/76/938942476.db2.gz YVJQSCBPQOYIOD-VQIMIIECSA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000539818392 938942483 /nfs/dbraw/zinc/94/24/83/938942483.db2.gz YVJQSCBPQOYIOD-VQIMIIECSA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000539818392 938942488 /nfs/dbraw/zinc/94/24/88/938942488.db2.gz YVJQSCBPQOYIOD-VQIMIIECSA-N 2 2 413.400 4.027 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(OC)c1OCc1ccccc1 ZINC000539819981 938943662 /nfs/dbraw/zinc/94/36/62/938943662.db2.gz VDRDAKAHCJJGDC-NRFANRHFSA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc(OC)c1OCc1ccccc1 ZINC000539819981 938943663 /nfs/dbraw/zinc/94/36/63/938943663.db2.gz VDRDAKAHCJJGDC-NRFANRHFSA-N 2 2 410.558 4.201 20 0 HIADLP CCc1nn(C)c(CC)c1C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539830213 938949724 /nfs/dbraw/zinc/94/97/24/938949724.db2.gz UTWQHBUUBUDOJY-UHFFFAOYSA-N 2 2 412.626 4.258 20 0 HIADLP CCc1nn(C)c(CC)c1C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539830213 938949733 /nfs/dbraw/zinc/94/97/33/938949733.db2.gz UTWQHBUUBUDOJY-UHFFFAOYSA-N 2 2 412.626 4.258 20 0 HIADLP C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540754653 939360673 /nfs/dbraw/zinc/36/06/73/939360673.db2.gz WGXMZTVVTAAMFM-QFQXNSOFSA-N 2 2 424.548 4.451 20 0 HIADLP C[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000540908567 939415276 /nfs/dbraw/zinc/41/52/76/939415276.db2.gz OAOJJLDQUMDQQU-JOCHJYFZSA-N 2 2 416.407 4.156 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203905 939485560 /nfs/dbraw/zinc/48/55/60/939485560.db2.gz LEURJEDBNMLFSK-UHFFFAOYSA-N 2 2 419.367 4.085 20 0 HIADLP C[NH+](C)CCN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCCC1 ZINC000541423237 939512329 /nfs/dbraw/zinc/51/23/29/939512329.db2.gz QIXAVRYGIGTIRL-FQEVSTJZSA-N 2 2 400.611 4.216 20 0 HIADLP Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Sc2ccccc2)c1 ZINC000541429529 939514357 /nfs/dbraw/zinc/51/43/57/939514357.db2.gz WNPHCGPELHIEAV-UHFFFAOYSA-N 2 2 411.615 4.244 20 0 HIADLP Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Sc2ccccc2)c1 ZINC000541429529 939514361 /nfs/dbraw/zinc/51/43/61/939514361.db2.gz WNPHCGPELHIEAV-UHFFFAOYSA-N 2 2 411.615 4.244 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000541454465 939520857 /nfs/dbraw/zinc/52/08/57/939520857.db2.gz NBBOZEODVXITAT-ACIOBRDBSA-N 2 2 406.574 4.055 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000541454465 939520864 /nfs/dbraw/zinc/52/08/64/939520864.db2.gz NBBOZEODVXITAT-ACIOBRDBSA-N 2 2 406.574 4.055 20 0 HIADLP C[C@@H]1C[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000542113679 939718494 /nfs/dbraw/zinc/71/84/94/939718494.db2.gz XNTHCCRDDKRNQG-QPPBQGQZSA-N 2 2 423.605 4.138 20 0 HIADLP C[C@@H]1C[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000542113679 939718495 /nfs/dbraw/zinc/71/84/95/939718495.db2.gz XNTHCCRDDKRNQG-QPPBQGQZSA-N 2 2 423.605 4.138 20 0 HIADLP FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000542321968 939800026 /nfs/dbraw/zinc/80/00/26/939800026.db2.gz QZZYLJLFYPAEHR-AWEZNQCLSA-N 2 2 408.449 4.201 20 0 HIADLP Cn1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C2CCCCC2)n1 ZINC000542466344 939827886 /nfs/dbraw/zinc/82/78/86/939827886.db2.gz BRIOBIYBOHVVQA-UHFFFAOYSA-N 3 2 415.670 4.096 20 0 HIADLP Cn1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C2CCCCC2)n1 ZINC000542466344 939827887 /nfs/dbraw/zinc/82/78/87/939827887.db2.gz BRIOBIYBOHVVQA-UHFFFAOYSA-N 3 2 415.670 4.096 20 0 HIADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000542471406 939828601 /nfs/dbraw/zinc/82/86/01/939828601.db2.gz BKAIBHYERSZBOU-JCTONOIOSA-N 2 2 413.631 4.103 20 0 HIADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000542471406 939828604 /nfs/dbraw/zinc/82/86/04/939828604.db2.gz BKAIBHYERSZBOU-JCTONOIOSA-N 2 2 413.631 4.103 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542936199 939881790 /nfs/dbraw/zinc/88/17/90/939881790.db2.gz MIXTXFLXFRQONW-TZIWHRDSSA-N 2 2 420.479 4.123 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542936199 939881793 /nfs/dbraw/zinc/88/17/93/939881793.db2.gz MIXTXFLXFRQONW-TZIWHRDSSA-N 2 2 420.479 4.123 20 0 HIADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1 ZINC000542944961 939883308 /nfs/dbraw/zinc/88/33/08/939883308.db2.gz ICLSTHGSFJIHSM-UHFFFAOYSA-N 2 2 402.608 4.220 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)co2)cc1 ZINC000543060684 939914055 /nfs/dbraw/zinc/91/40/55/939914055.db2.gz NEACKYPFEBNRKB-UHFFFAOYSA-N 2 2 408.502 4.017 20 0 HIADLP C[C@H](Cc1ccccc1Cl)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543108258 939948688 /nfs/dbraw/zinc/94/86/88/939948688.db2.gz QPSDWUIBXDDDBH-YFXJRYMSSA-N 2 2 420.041 4.314 20 0 HIADLP C[C@H](Cc1ccccc1Cl)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543108258 939948705 /nfs/dbraw/zinc/94/87/05/939948705.db2.gz QPSDWUIBXDDDBH-YFXJRYMSSA-N 2 2 420.041 4.314 20 0 HIADLP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543277442 940015973 /nfs/dbraw/zinc/01/59/73/940015973.db2.gz GGTMFQFAHDBLEU-LJQANCHMSA-N 2 2 414.619 4.145 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000543406807 940054749 /nfs/dbraw/zinc/05/47/49/940054749.db2.gz LVOYHNOQDMKHPT-AREMUKBSSA-N 2 2 418.560 4.237 20 0 HIADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC1 ZINC000543423800 940060461 /nfs/dbraw/zinc/06/04/61/940060461.db2.gz ABZRUXGZMYIFQV-TWJOJJKGSA-N 2 2 419.544 4.431 20 0 HIADLP CC[N@H+](C[C@@H](O)COc1cc(C)ccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000543436555 940063629 /nfs/dbraw/zinc/06/36/29/940063629.db2.gz RAIUIIRVSYWVPS-HXUWFJFHSA-N 2 2 417.981 4.022 20 0 HIADLP CC[N@@H+](C[C@@H](O)COc1cc(C)ccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000543436555 940063632 /nfs/dbraw/zinc/06/36/32/940063632.db2.gz RAIUIIRVSYWVPS-HXUWFJFHSA-N 2 2 417.981 4.022 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)c1ccccc1 ZINC000543500827 940086555 /nfs/dbraw/zinc/08/65/55/940086555.db2.gz QGIWJPUGZKZKFS-HSZRJFAPSA-N 2 2 417.557 4.210 20 0 HIADLP CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000543611390 940130758 /nfs/dbraw/zinc/13/07/58/940130758.db2.gz FSYUHSRVWYWENS-UHFFFAOYSA-N 2 2 423.605 4.371 20 0 HIADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000563787784 945302205 /nfs/dbraw/zinc/30/22/05/945302205.db2.gz GPLLTWMIUKLDQL-UHFFFAOYSA-N 2 2 416.569 4.166 20 0 HIADLP CN(C(=O)c1ccc(SC2CC2)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544031963 940304923 /nfs/dbraw/zinc/30/49/23/940304923.db2.gz OHRVBXVJOAZMAW-XZOQPEGZSA-N 2 2 415.647 4.350 20 0 HIADLP CN(C(=O)c1ccc(SC2CC2)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544031963 940304928 /nfs/dbraw/zinc/30/49/28/940304928.db2.gz OHRVBXVJOAZMAW-XZOQPEGZSA-N 2 2 415.647 4.350 20 0 HIADLP CCC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000544171644 940343271 /nfs/dbraw/zinc/34/32/71/940343271.db2.gz MEESYRGGNFAQEM-QFIPXVFZSA-N 2 2 423.586 4.431 20 0 HIADLP C[C@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000544278098 940377176 /nfs/dbraw/zinc/37/71/76/940377176.db2.gz LZJXKSJCWWLBGJ-RDPSFJRHSA-N 2 2 402.542 4.238 20 0 HIADLP C[C@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000544278098 940377180 /nfs/dbraw/zinc/37/71/80/940377180.db2.gz LZJXKSJCWWLBGJ-RDPSFJRHSA-N 2 2 402.542 4.238 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3cccnc3)c3ccc(F)cc3F)[nH+]c2)C1 ZINC000544384583 940407618 /nfs/dbraw/zinc/40/76/18/940407618.db2.gz XOIHZDLCJNLUMF-AUSIDOKSSA-N 2 2 409.484 4.097 20 0 HIADLP C[C@@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000545866978 940644458 /nfs/dbraw/zinc/64/44/58/940644458.db2.gz IXQGZGIWHCWGCJ-UZUQRXQVSA-N 2 2 412.965 4.454 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000547508462 941066375 /nfs/dbraw/zinc/06/63/75/941066375.db2.gz IMLBTRYNXKRUDD-KXBFYZLASA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000547508462 941066377 /nfs/dbraw/zinc/06/63/77/941066377.db2.gz IMLBTRYNXKRUDD-KXBFYZLASA-N 2 2 406.357 4.432 20 0 HIADLP O=C(c1ccc(C[NH+]2CCCC2)cc1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000549088684 941155644 /nfs/dbraw/zinc/15/56/44/941155644.db2.gz FGOKYIMAUFFULZ-UHFFFAOYSA-N 2 2 422.960 4.475 20 0 HIADLP COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3C)CCN2C2CC2)c1 ZINC000549117556 941161678 /nfs/dbraw/zinc/16/16/78/941161678.db2.gz MZNMRXZAFGTBMJ-LOSJGSFVSA-N 2 2 402.542 4.257 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000549806877 941207870 /nfs/dbraw/zinc/20/78/70/941207870.db2.gz XZKAALFEKMOUHH-ZRCGQRJVSA-N 2 2 401.570 4.076 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000549806877 941207869 /nfs/dbraw/zinc/20/78/69/941207869.db2.gz XZKAALFEKMOUHH-ZRCGQRJVSA-N 2 2 401.570 4.076 20 0 HIADLP c1c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000550657557 941351003 /nfs/dbraw/zinc/35/10/03/941351003.db2.gz PZPCZXHVUZPJKN-DEOSSOPVSA-N 2 2 416.569 4.226 20 0 HIADLP c1c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000550657557 941351007 /nfs/dbraw/zinc/35/10/07/941351007.db2.gz PZPCZXHVUZPJKN-DEOSSOPVSA-N 2 2 416.569 4.226 20 0 HIADLP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000550887639 941380045 /nfs/dbraw/zinc/38/00/45/941380045.db2.gz XUKILHHSSZQTOP-DHIUTWEWSA-N 2 2 423.582 4.044 20 0 HIADLP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)c2nnc[nH]2)cc1 ZINC000551030511 941397520 /nfs/dbraw/zinc/39/75/20/941397520.db2.gz SELWOWIKOLUGLM-OAQYLSRUSA-N 2 2 413.928 4.188 20 0 HIADLP CC[N@H+](CCC1CC[NH+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1)CC1CC1 ZINC000551391956 941467976 /nfs/dbraw/zinc/46/79/76/941467976.db2.gz UTWJLMWLJHABHT-SANMLTNESA-N 3 2 413.650 4.112 20 0 HIADLP CC[N@@H+](CCC1CC[NH+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1)CC1CC1 ZINC000551391956 941467979 /nfs/dbraw/zinc/46/79/79/941467979.db2.gz UTWJLMWLJHABHT-SANMLTNESA-N 3 2 413.650 4.112 20 0 HIADLP CC[NH+](CCC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1)CC1CC1 ZINC000551391956 941467982 /nfs/dbraw/zinc/46/79/82/941467982.db2.gz UTWJLMWLJHABHT-SANMLTNESA-N 3 2 413.650 4.112 20 0 HIADLP CC[NH+](CCC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1)CC1CC1 ZINC000551391956 941467984 /nfs/dbraw/zinc/46/79/84/941467984.db2.gz UTWJLMWLJHABHT-SANMLTNESA-N 3 2 413.650 4.112 20 0 HIADLP Clc1ccc([C@H]2CCCCC[C@H]2[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000551811960 941550331 /nfs/dbraw/zinc/55/03/31/941550331.db2.gz ISSKMKXFSGMVJY-DNQXCXABSA-N 2 2 420.041 4.143 20 0 HIADLP C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554385606 942121500 /nfs/dbraw/zinc/12/15/00/942121500.db2.gz FNQJGNQRNCBJIP-UWVAXJGDSA-N 2 2 415.607 4.188 20 0 HIADLP C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554385606 942121503 /nfs/dbraw/zinc/12/15/03/942121503.db2.gz FNQJGNQRNCBJIP-UWVAXJGDSA-N 2 2 415.607 4.188 20 0 HIADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+](C)C ZINC000554441573 942144415 /nfs/dbraw/zinc/14/44/15/942144415.db2.gz YSDGLFRZOPLRLQ-AUSIDOKSSA-N 2 2 421.545 4.083 20 0 HIADLP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554840907 942278679 /nfs/dbraw/zinc/27/86/79/942278679.db2.gz HWXRZIPDDIUFLW-QHCPKHFHSA-N 2 2 411.565 4.065 20 0 HIADLP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554840907 942278693 /nfs/dbraw/zinc/27/86/93/942278693.db2.gz HWXRZIPDDIUFLW-QHCPKHFHSA-N 2 2 411.565 4.065 20 0 HIADLP CCCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OCC ZINC000554889092 942308912 /nfs/dbraw/zinc/30/89/12/942308912.db2.gz FZVPSNLSPAHGKH-MAUKXSAKSA-N 2 2 413.400 4.409 20 0 HIADLP CCCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OCC ZINC000554889092 942308919 /nfs/dbraw/zinc/30/89/19/942308919.db2.gz FZVPSNLSPAHGKH-MAUKXSAKSA-N 2 2 413.400 4.409 20 0 HIADLP CCCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OCC ZINC000554889092 942308929 /nfs/dbraw/zinc/30/89/29/942308929.db2.gz FZVPSNLSPAHGKH-MAUKXSAKSA-N 2 2 413.400 4.409 20 0 HIADLP CCCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OCC ZINC000554889092 942308937 /nfs/dbraw/zinc/30/89/37/942308937.db2.gz FZVPSNLSPAHGKH-MAUKXSAKSA-N 2 2 413.400 4.409 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000554960735 942335034 /nfs/dbraw/zinc/33/50/34/942335034.db2.gz ROVGBXSGIBWVEY-KRWDZBQOSA-N 2 2 401.938 4.106 20 0 HIADLP CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555510702 942614131 /nfs/dbraw/zinc/61/41/31/942614131.db2.gz WHAJEPGWKWIORR-PRTQVNTJSA-N 2 2 418.025 4.239 20 0 HIADLP CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555510702 942614147 /nfs/dbraw/zinc/61/41/47/942614147.db2.gz WHAJEPGWKWIORR-PRTQVNTJSA-N 2 2 418.025 4.239 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1=O ZINC000556224627 942821304 /nfs/dbraw/zinc/82/13/04/942821304.db2.gz OVHJBTUNTZDUQG-TWJGJSOSSA-N 2 2 409.549 4.303 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1=O ZINC000556224627 942821307 /nfs/dbraw/zinc/82/13/07/942821307.db2.gz OVHJBTUNTZDUQG-TWJGJSOSSA-N 2 2 409.549 4.303 20 0 HIADLP Cn1ccc([C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c2ccc(Cl)cc2)n1 ZINC000556609228 942913699 /nfs/dbraw/zinc/91/36/99/942913699.db2.gz WZZCJKZINBBYSB-DEOSSOPVSA-N 2 2 424.976 4.426 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000556914632 942964057 /nfs/dbraw/zinc/96/40/57/942964057.db2.gz LTRIOFOWZKDADL-GBXCKJPGSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000556914632 942964061 /nfs/dbraw/zinc/96/40/61/942964061.db2.gz LTRIOFOWZKDADL-GBXCKJPGSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@H](Cn1ccc2ccccc21)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000556936636 942972824 /nfs/dbraw/zinc/97/28/24/942972824.db2.gz AGCKWRFKWZIWAH-YNJKOYDBSA-N 2 2 424.633 4.073 20 0 HIADLP C[C@H](Cn1ccc2ccccc21)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556936636 942972827 /nfs/dbraw/zinc/97/28/27/942972827.db2.gz AGCKWRFKWZIWAH-YNJKOYDBSA-N 2 2 424.633 4.073 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000557334232 943074419 /nfs/dbraw/zinc/07/44/19/943074419.db2.gz SXBHAYWWXHIAFF-JOCHJYFZSA-N 2 2 410.949 4.398 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000557334232 943074432 /nfs/dbraw/zinc/07/44/32/943074432.db2.gz SXBHAYWWXHIAFF-JOCHJYFZSA-N 2 2 410.949 4.398 20 0 HIADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000557541144 943200230 /nfs/dbraw/zinc/20/02/30/943200230.db2.gz NBOBWCCTULCIPN-QHCPKHFHSA-N 2 2 402.542 4.021 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000557617612 943233035 /nfs/dbraw/zinc/23/30/35/943233035.db2.gz AOGKLFAWFFQRPJ-UHFFFAOYSA-N 2 2 421.994 4.013 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](COC)c2cccc(Cl)c2F)CC1 ZINC000558225898 943445088 /nfs/dbraw/zinc/44/50/88/943445088.db2.gz KYJJSYXEKFVQQP-JOCHJYFZSA-N 2 2 419.972 4.094 20 0 HIADLP C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000558722286 943632887 /nfs/dbraw/zinc/63/28/87/943632887.db2.gz ASRSEGADLFGGOX-KRWDZBQOSA-N 2 2 418.582 4.230 20 0 HIADLP Brc1cccc2c1C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC2 ZINC000559244697 943885245 /nfs/dbraw/zinc/88/52/45/943885245.db2.gz UBLQLXBWCOXXBL-IBGZPJMESA-N 2 2 410.359 4.384 20 0 HIADLP Brc1cc2c(s1)CC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000559739563 944041297 /nfs/dbraw/zinc/04/12/97/944041297.db2.gz KSDZXINPUFIYEH-QGZVFWFLSA-N 2 2 407.377 4.120 20 0 HIADLP C[C@H]([NH2+][C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000559878520 944072978 /nfs/dbraw/zinc/07/29/78/944072978.db2.gz PIGUNDXDZYGYJF-IUKKYPGJSA-N 2 2 406.505 4.414 20 0 HIADLP CN(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1nc2ccccc2s1 ZINC000560979051 944383570 /nfs/dbraw/zinc/38/35/70/944383570.db2.gz VDGGOHXEIINXNP-OAQYLSRUSA-N 2 2 422.598 4.149 20 0 HIADLP CN(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1nc2ccccc2s1 ZINC000560979051 944383578 /nfs/dbraw/zinc/38/35/78/944383578.db2.gz VDGGOHXEIINXNP-OAQYLSRUSA-N 2 2 422.598 4.149 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nc2ccccc2n1C(F)F ZINC000561009332 944395103 /nfs/dbraw/zinc/39/51/03/944395103.db2.gz GGMPDGQBASUSAK-MRXNPFEDSA-N 2 2 400.473 4.114 20 0 HIADLP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccco1 ZINC000564678466 945725953 /nfs/dbraw/zinc/72/59/53/945725953.db2.gz BMEZKXZRNIZRGN-FBBABVLZSA-N 2 2 412.578 4.332 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000565369421 945817758 /nfs/dbraw/zinc/81/77/58/945817758.db2.gz XHQXHFMVHXSWTB-BJKOFHAPSA-N 2 2 423.582 4.115 20 0 HIADLP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc(Cl)c1OC ZINC000567408485 946327206 /nfs/dbraw/zinc/32/72/06/946327206.db2.gz QGWBAGHGFXQYCF-UXHICEINSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc(Cl)c1OC ZINC000567408485 946327220 /nfs/dbraw/zinc/32/72/20/946327220.db2.gz QGWBAGHGFXQYCF-UXHICEINSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc(Cl)c1OC ZINC000567408485 946327235 /nfs/dbraw/zinc/32/72/35/946327235.db2.gz QGWBAGHGFXQYCF-UXHICEINSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(Cl)c1OC ZINC000567408485 946327251 /nfs/dbraw/zinc/32/72/51/946327251.db2.gz QGWBAGHGFXQYCF-UXHICEINSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc(Cl)c1OC ZINC000567408484 946327989 /nfs/dbraw/zinc/32/79/89/946327989.db2.gz QGWBAGHGFXQYCF-PMACEKPBSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc(Cl)c1OC ZINC000567408484 946328005 /nfs/dbraw/zinc/32/80/05/946328005.db2.gz QGWBAGHGFXQYCF-PMACEKPBSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc(Cl)c1OC ZINC000567408484 946328021 /nfs/dbraw/zinc/32/80/21/946328021.db2.gz QGWBAGHGFXQYCF-PMACEKPBSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(Cl)c1OC ZINC000567408484 946328033 /nfs/dbraw/zinc/32/80/33/946328033.db2.gz QGWBAGHGFXQYCF-PMACEKPBSA-N 2 2 400.950 4.311 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000567973918 946436298 /nfs/dbraw/zinc/43/62/98/946436298.db2.gz CHVQPPVLLYFQKC-QUCCMNQESA-N 2 2 408.496 4.309 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000567973918 946436304 /nfs/dbraw/zinc/43/63/04/946436304.db2.gz CHVQPPVLLYFQKC-QUCCMNQESA-N 2 2 408.496 4.309 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000567973918 946436307 /nfs/dbraw/zinc/43/63/07/946436307.db2.gz CHVQPPVLLYFQKC-QUCCMNQESA-N 2 2 408.496 4.309 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000567973918 946436311 /nfs/dbraw/zinc/43/63/11/946436311.db2.gz CHVQPPVLLYFQKC-QUCCMNQESA-N 2 2 408.496 4.309 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000569055021 946812312 /nfs/dbraw/zinc/81/23/12/946812312.db2.gz WNIFSOSYGQJYNJ-YLJYHZDGSA-N 2 2 404.938 4.025 20 0 HIADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000569837922 947015743 /nfs/dbraw/zinc/01/57/43/947015743.db2.gz MBPVAXRVFYYJMK-NHCUHLMSSA-N 2 2 416.610 4.026 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](COC)c3cccc(Cl)c3F)cc2)CC1 ZINC000572164850 947853959 /nfs/dbraw/zinc/85/39/59/947853959.db2.gz BSVAWYGDYFLVIJ-JOCHJYFZSA-N 2 2 419.972 4.094 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323776 947884897 /nfs/dbraw/zinc/88/48/97/947884897.db2.gz ZAAQEQCKZRVOAN-GUDVDZBRSA-N 2 2 417.594 4.215 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323776 947884898 /nfs/dbraw/zinc/88/48/98/947884898.db2.gz ZAAQEQCKZRVOAN-GUDVDZBRSA-N 2 2 417.594 4.215 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323776 947884904 /nfs/dbraw/zinc/88/49/04/947884904.db2.gz ZAAQEQCKZRVOAN-GUDVDZBRSA-N 2 2 417.594 4.215 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323776 947884905 /nfs/dbraw/zinc/88/49/05/947884905.db2.gz ZAAQEQCKZRVOAN-GUDVDZBRSA-N 2 2 417.594 4.215 20 0 HIADLP Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000572884331 948029029 /nfs/dbraw/zinc/02/90/29/948029029.db2.gz ZXSWYPAYRNCHAK-UHFFFAOYSA-N 2 2 409.440 4.317 20 0 HIADLP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)c2)CC1 ZINC000572996340 948054901 /nfs/dbraw/zinc/05/49/01/948054901.db2.gz SQNPBOIJRSLZJQ-DEOSSOPVSA-N 2 2 416.569 4.480 20 0 HIADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000573306130 948154049 /nfs/dbraw/zinc/15/40/49/948154049.db2.gz VCEPDEMRDDUAPY-GOTSBHOMSA-N 2 2 403.526 4.245 20 0 HIADLP CCn1c(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)nc2ccccc21 ZINC000575239599 948639619 /nfs/dbraw/zinc/63/96/19/948639619.db2.gz KWTLWWAANRMPFR-UHFFFAOYSA-N 2 2 421.589 4.173 20 0 HIADLP CCn1c(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)nc2ccccc21 ZINC000575239599 948639626 /nfs/dbraw/zinc/63/96/26/948639626.db2.gz KWTLWWAANRMPFR-UHFFFAOYSA-N 2 2 421.589 4.173 20 0 HIADLP CC(C)C[NH+]1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC000216458397 719338886 /nfs/dbraw/zinc/33/88/86/719338886.db2.gz KUTKPKOKVWGVHG-UHFFFAOYSA-N 2 2 409.603 4.198 20 0 HIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)CC3)cs1 ZINC001164697853 719816424 /nfs/dbraw/zinc/81/64/24/719816424.db2.gz BGDOPYWWLIWWJT-UHFFFAOYSA-N 2 2 407.587 4.452 20 0 HIADLP Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]ccc4c5c([nH]c42)CCC5)CC3)cs1 ZINC001164697853 719816427 /nfs/dbraw/zinc/81/64/27/719816427.db2.gz BGDOPYWWLIWWJT-UHFFFAOYSA-N 2 2 407.587 4.452 20 0 HIADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c(C)cccc31)CC2 ZINC001164717452 720118894 /nfs/dbraw/zinc/11/88/94/720118894.db2.gz PBKFMCAPVZNHPI-QFIPXVFZSA-N 2 2 416.569 4.446 20 0 HIADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c(C)cccc31)CC2 ZINC001164717452 720118899 /nfs/dbraw/zinc/11/88/99/720118899.db2.gz PBKFMCAPVZNHPI-QFIPXVFZSA-N 2 2 416.569 4.446 20 0 HIADLP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436022500 861316541 /nfs/dbraw/zinc/31/65/41/861316541.db2.gz SABYRCMYVMYUEB-HXUWFJFHSA-N 2 2 414.981 4.220 20 0 HIADLP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436022500 861316554 /nfs/dbraw/zinc/31/65/54/861316554.db2.gz SABYRCMYVMYUEB-HXUWFJFHSA-N 2 2 414.981 4.220 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c(C)c1 ZINC000436289398 861596528 /nfs/dbraw/zinc/59/65/28/861596528.db2.gz IAEYQQJJBRPUIT-DEOSSOPVSA-N 2 2 403.505 4.415 20 0 HIADLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OCc1cccnc1 ZINC000030651541 847752060 /nfs/dbraw/zinc/75/20/60/847752060.db2.gz NNRLLKSOBDGUJJ-UHFFFAOYSA-N 2 2 414.509 4.204 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000046281290 848816121 /nfs/dbraw/zinc/81/61/21/848816121.db2.gz JPWQJGFETNKSOX-UHFFFAOYSA-N 2 2 417.557 4.235 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000046281290 848816127 /nfs/dbraw/zinc/81/61/27/848816127.db2.gz JPWQJGFETNKSOX-UHFFFAOYSA-N 2 2 417.557 4.235 20 0 HIADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000047978674 849146545 /nfs/dbraw/zinc/14/65/45/849146545.db2.gz HNDOGFIMDZFNGF-UHFFFAOYSA-N 2 2 405.892 4.351 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC2)CC1 ZINC000051272510 849451163 /nfs/dbraw/zinc/45/11/63/849451163.db2.gz SUZMWEWAJOFJFI-XMMPIXPASA-N 2 2 412.622 4.166 20 0 HIADLP CC[NH+](CC)C1CC[NH+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000052049877 849544366 /nfs/dbraw/zinc/54/43/66/849544366.db2.gz NBKCAOQIMXJYKN-UIOOFZCWSA-N 2 2 410.602 4.268 20 0 HIADLP O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056727028 850453657 /nfs/dbraw/zinc/45/36/57/850453657.db2.gz GUKXPTCEONAAKR-UHFFFAOYSA-N 2 2 403.530 4.222 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437044349 862236674 /nfs/dbraw/zinc/23/66/74/862236674.db2.gz LOSWOVMANGBERV-XMMPIXPASA-N 2 2 420.601 4.059 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437044349 862236693 /nfs/dbraw/zinc/23/66/93/862236693.db2.gz LOSWOVMANGBERV-XMMPIXPASA-N 2 2 420.601 4.059 20 0 HIADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1C ZINC000065304332 852102721 /nfs/dbraw/zinc/10/27/21/852102721.db2.gz PFVWSYRITOUNSA-GOSISDBHSA-N 2 2 410.562 4.081 20 0 HIADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1C ZINC000065304332 852102724 /nfs/dbraw/zinc/10/27/24/852102724.db2.gz PFVWSYRITOUNSA-GOSISDBHSA-N 2 2 410.562 4.081 20 0 HIADLP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2Cl)CC1 ZINC000066050932 852365187 /nfs/dbraw/zinc/36/51/87/852365187.db2.gz UBNSWYVXJSFAOY-JOCHJYFZSA-N 2 2 414.981 4.113 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227374366 853885834 /nfs/dbraw/zinc/88/58/34/853885834.db2.gz YTENFLPUFZLTQW-SMDDNHRTSA-N 2 2 420.189 4.183 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227374366 853885839 /nfs/dbraw/zinc/88/58/39/853885839.db2.gz YTENFLPUFZLTQW-SMDDNHRTSA-N 2 2 420.189 4.183 20 0 HIADLP c1cn(-c2ccccc2C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)c[nH+]1 ZINC000236583004 853899370 /nfs/dbraw/zinc/89/93/70/853899370.db2.gz PHAOMHPWPGQMGA-UHFFFAOYSA-N 2 2 406.493 4.410 20 0 HIADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000237088989 853962987 /nfs/dbraw/zinc/96/29/87/853962987.db2.gz JRBYLFBWJUNKOG-GOSISDBHSA-N 2 2 404.986 4.159 20 0 HIADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000237088989 853962990 /nfs/dbraw/zinc/96/29/90/853962990.db2.gz JRBYLFBWJUNKOG-GOSISDBHSA-N 2 2 404.986 4.159 20 0 HIADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000237094841 853963053 /nfs/dbraw/zinc/96/30/53/853963053.db2.gz JRBYLFBWJUNKOG-SFHVURJKSA-N 2 2 404.986 4.159 20 0 HIADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000237094841 853963057 /nfs/dbraw/zinc/96/30/57/853963057.db2.gz JRBYLFBWJUNKOG-SFHVURJKSA-N 2 2 404.986 4.159 20 0 HIADLP COC(=O)c1cc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c[nH]1 ZINC000237126386 853968626 /nfs/dbraw/zinc/96/86/26/853968626.db2.gz WXEYATUHCVGCTF-UHFFFAOYSA-N 2 2 400.482 4.003 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000237686018 854076075 /nfs/dbraw/zinc/07/60/75/854076075.db2.gz KTFQOYBHPPLXRL-LIRRHRJNSA-N 2 2 408.771 4.498 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000237686018 854076078 /nfs/dbraw/zinc/07/60/78/854076078.db2.gz KTFQOYBHPPLXRL-LIRRHRJNSA-N 2 2 408.771 4.498 20 0 HIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000237723973 854084010 /nfs/dbraw/zinc/08/40/10/854084010.db2.gz JALISQQUAOSNKQ-UHFFFAOYSA-N 2 2 424.976 4.265 20 0 HIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000261471660 854274267 /nfs/dbraw/zinc/27/42/67/854274267.db2.gz XXTDSCKWYOVVSI-XMMPIXPASA-N 2 2 407.533 4.472 20 0 HIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H](Cc4[nH+]ccn4C)C3)c2c1C ZINC000301705912 854448873 /nfs/dbraw/zinc/44/88/73/854448873.db2.gz IGQQVKHIOSJWLE-SFHVURJKSA-N 2 2 424.618 4.097 20 0 HIADLP C[NH+](C)C1CC[NH+](CCNc2ccnc3c(Cl)cc(Br)cc23)CC1 ZINC000302722196 854612502 /nfs/dbraw/zinc/61/25/02/854612502.db2.gz IBHUXKMEJIFUEQ-UHFFFAOYSA-N 2 2 411.775 4.089 20 0 HIADLP COc1cc(Br)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000312016464 855371025 /nfs/dbraw/zinc/37/10/25/855371025.db2.gz TWFCBMTVHISMPR-KRWDZBQOSA-N 2 2 419.363 4.078 20 0 HIADLP COc1cc(Br)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000312016464 855371033 /nfs/dbraw/zinc/37/10/33/855371033.db2.gz TWFCBMTVHISMPR-KRWDZBQOSA-N 2 2 419.363 4.078 20 0 HIADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(Br)c1O ZINC000379625130 855424233 /nfs/dbraw/zinc/42/42/33/855424233.db2.gz KDAXGUWVSHMGFO-YJBOKZPZSA-N 2 2 419.363 4.306 20 0 HIADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(Br)c1O ZINC000379625130 855424237 /nfs/dbraw/zinc/42/42/37/855424237.db2.gz KDAXGUWVSHMGFO-YJBOKZPZSA-N 2 2 419.363 4.306 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426019540 856050706 /nfs/dbraw/zinc/05/07/06/856050706.db2.gz FLIRQINVZISSRE-PTUXOGIPSA-N 2 2 409.578 4.066 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426019540 856050716 /nfs/dbraw/zinc/05/07/16/856050716.db2.gz FLIRQINVZISSRE-PTUXOGIPSA-N 2 2 409.578 4.066 20 0 HIADLP C[N@H+](CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CCCCC1 ZINC000426037915 856063714 /nfs/dbraw/zinc/06/37/14/856063714.db2.gz XBIHZAOVYCUFHB-PKTZIBPZSA-N 2 2 409.578 4.066 20 0 HIADLP C[N@@H+](CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CCCCC1 ZINC000426037915 856063724 /nfs/dbraw/zinc/06/37/24/856063724.db2.gz XBIHZAOVYCUFHB-PKTZIBPZSA-N 2 2 409.578 4.066 20 0 HIADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000426292617 856226551 /nfs/dbraw/zinc/22/65/51/856226551.db2.gz FLMWKLNNFCNSLU-RPWUZVMVSA-N 2 2 417.557 4.063 20 0 HIADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000426292617 856226565 /nfs/dbraw/zinc/22/65/65/856226565.db2.gz FLMWKLNNFCNSLU-RPWUZVMVSA-N 2 2 417.557 4.063 20 0 HIADLP COCC[N@H+](Cc1cc(Br)cs1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000426389426 856270796 /nfs/dbraw/zinc/27/07/96/856270796.db2.gz LCZJYIOULWRWSM-UHFFFAOYSA-N 2 2 421.364 4.048 20 0 HIADLP COCC[N@@H+](Cc1cc(Br)cs1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000426389426 856270805 /nfs/dbraw/zinc/27/08/05/856270805.db2.gz LCZJYIOULWRWSM-UHFFFAOYSA-N 2 2 421.364 4.048 20 0 HIADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(Cl)c1 ZINC000426777842 856473290 /nfs/dbraw/zinc/47/32/90/856473290.db2.gz RBKJNUGDUYPNMS-RTBURBONSA-N 2 2 422.013 4.107 20 0 HIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ncc(Br)cc1F ZINC000427606322 856886417 /nfs/dbraw/zinc/88/64/17/856886417.db2.gz JNIVXFHEKGXXRE-CQSZACIVSA-N 2 2 403.299 4.121 20 0 HIADLP Fc1cc(Br)ccc1[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427886084 856993618 /nfs/dbraw/zinc/99/36/18/856993618.db2.gz YIDWFDIEDMSTPC-JXFKEZNVSA-N 2 2 400.295 4.479 20 0 HIADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)n2)CC1 ZINC000428494299 857225475 /nfs/dbraw/zinc/22/54/75/857225475.db2.gz NYNZUOWRNSQJJL-LEWJYISDSA-N 2 2 412.603 4.239 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429402064 857644485 /nfs/dbraw/zinc/64/44/85/857644485.db2.gz BOJGSYPOTYLZDS-GBXCKJPGSA-N 2 2 424.589 4.158 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429402064 857644491 /nfs/dbraw/zinc/64/44/91/857644491.db2.gz BOJGSYPOTYLZDS-GBXCKJPGSA-N 2 2 424.589 4.158 20 0 HIADLP c1ccc(C[N@H+](CC2CCOCC2)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000429681733 857832390 /nfs/dbraw/zinc/83/23/90/857832390.db2.gz LFTBGAQMTSPBPN-SANMLTNESA-N 2 2 408.586 4.206 20 0 HIADLP c1ccc(C[N@@H+](CC2CCOCC2)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000429681733 857832393 /nfs/dbraw/zinc/83/23/93/857832393.db2.gz LFTBGAQMTSPBPN-SANMLTNESA-N 2 2 408.586 4.206 20 0 HIADLP c1ccc(C[NH+](CC2CCOCC2)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429681733 857832398 /nfs/dbraw/zinc/83/23/98/857832398.db2.gz LFTBGAQMTSPBPN-SANMLTNESA-N 2 2 408.586 4.206 20 0 HIADLP c1ccc(C[NH+](CC2CCOCC2)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429681733 857832401 /nfs/dbraw/zinc/83/24/01/857832401.db2.gz LFTBGAQMTSPBPN-SANMLTNESA-N 2 2 408.586 4.206 20 0 HIADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000429955826 857968456 /nfs/dbraw/zinc/96/84/56/857968456.db2.gz ZECATCCKJSTIDN-UHFFFAOYSA-N 2 2 417.557 4.482 20 0 HIADLP Clc1ccc(OCC2CC2)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000430016140 857997965 /nfs/dbraw/zinc/99/79/65/857997965.db2.gz OYHQHRTVIHOXAQ-UHFFFAOYSA-N 2 2 400.950 4.251 20 0 HIADLP C[NH+](C)Cc1cccc(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000430389908 858143092 /nfs/dbraw/zinc/14/30/92/858143092.db2.gz RGVNIYZZORCFOX-UHFFFAOYSA-N 2 2 411.937 4.332 20 0 HIADLP C[NH+](C)CC[C@H](NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C(C)(C)C ZINC000430681608 858267450 /nfs/dbraw/zinc/26/74/50/858267450.db2.gz VWEJHJYWNZSIIJ-FQEVSTJZSA-N 2 2 420.001 4.115 20 0 HIADLP Cc1ccc([C@H](OC[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc2)cc1 ZINC000430813843 858314066 /nfs/dbraw/zinc/31/40/66/858314066.db2.gz GERQKEMARUECAT-BJKOFHAPSA-N 2 2 405.542 4.065 20 0 HIADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430974141 858388231 /nfs/dbraw/zinc/38/82/31/858388231.db2.gz XAQGFMFOMXYQNA-IBGZPJMESA-N 2 2 417.985 4.013 20 0 HIADLP C[NH+]1CCC(CNC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000431696693 858745292 /nfs/dbraw/zinc/74/52/92/858745292.db2.gz ZMKBRLKJZNMEQY-XMMPIXPASA-N 2 2 424.633 4.188 20 0 HIADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCCO1 ZINC000432422196 859157897 /nfs/dbraw/zinc/15/78/97/859157897.db2.gz SJBDGLNDRVGKOR-XMSQKQJNSA-N 2 2 404.501 4.468 20 0 HIADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCCO1 ZINC000432422196 859157901 /nfs/dbraw/zinc/15/79/01/859157901.db2.gz SJBDGLNDRVGKOR-XMSQKQJNSA-N 2 2 404.501 4.468 20 0 HIADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCCO1 ZINC000432422192 859157933 /nfs/dbraw/zinc/15/79/33/859157933.db2.gz SJBDGLNDRVGKOR-GCJKJVERSA-N 2 2 404.501 4.468 20 0 HIADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCCO1 ZINC000432422192 859157937 /nfs/dbraw/zinc/15/79/37/859157937.db2.gz SJBDGLNDRVGKOR-GCJKJVERSA-N 2 2 404.501 4.468 20 0 HIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433371904 859661690 /nfs/dbraw/zinc/66/16/90/859661690.db2.gz CIYQFWYAOVJMSG-GHTZIAJQSA-N 2 2 413.537 4.488 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000434291313 860256708 /nfs/dbraw/zinc/25/67/08/860256708.db2.gz BROIFABGJJZTEE-JOCHJYFZSA-N 2 2 421.029 4.239 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000434291313 860256719 /nfs/dbraw/zinc/25/67/19/860256719.db2.gz BROIFABGJJZTEE-JOCHJYFZSA-N 2 2 421.029 4.239 20 0 HIADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@H](C)c3nc(Cc4ccc(F)cc4)no3)C1)CCCC2 ZINC000434501920 860376949 /nfs/dbraw/zinc/37/69/49/860376949.db2.gz IFTRSKJTGMAVTH-BEFAXECRSA-N 2 2 409.509 4.191 20 0 HIADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@H](C)c3nc(Cc4ccc(F)cc4)no3)C1)CCCC2 ZINC000434501920 860376956 /nfs/dbraw/zinc/37/69/56/860376956.db2.gz IFTRSKJTGMAVTH-BEFAXECRSA-N 2 2 409.509 4.191 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000434681583 860458135 /nfs/dbraw/zinc/45/81/35/860458135.db2.gz QDAIHVBZUJTXSI-UHFFFAOYSA-N 2 2 407.345 4.344 20 0 HIADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686606 860460471 /nfs/dbraw/zinc/46/04/71/860460471.db2.gz AFPQVCGPWXCMLF-MRXNPFEDSA-N 2 2 400.954 4.388 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(Cl)cc1 ZINC000434751233 860480778 /nfs/dbraw/zinc/48/07/78/860480778.db2.gz CUUHZBQCOCDYFC-IRXDYDNUSA-N 2 2 414.981 4.318 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc2c(c1)CCCC2 ZINC000434760202 860484121 /nfs/dbraw/zinc/48/41/21/860484121.db2.gz YPBSIZOGKWMCLU-IBGZPJMESA-N 2 2 420.601 4.155 20 0 HIADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)cc1C ZINC000434906341 860549116 /nfs/dbraw/zinc/54/91/16/860549116.db2.gz UBBSPDQTSJXCSY-FGZHOGPDSA-N 2 2 416.610 4.113 20 0 HIADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)cc1C ZINC000434906341 860549119 /nfs/dbraw/zinc/54/91/19/860549119.db2.gz UBBSPDQTSJXCSY-FGZHOGPDSA-N 2 2 416.610 4.113 20 0 HIADLP CCC[N@H+](Cc1ncc(C(F)(F)F)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000435124044 860651824 /nfs/dbraw/zinc/65/18/24/860651824.db2.gz LCYIVXOIVYUEFW-UHFFFAOYSA-N 2 2 413.513 4.450 20 0 HIADLP CCC[N@@H+](Cc1ncc(C(F)(F)F)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000435124044 860651831 /nfs/dbraw/zinc/65/18/31/860651831.db2.gz LCYIVXOIVYUEFW-UHFFFAOYSA-N 2 2 413.513 4.450 20 0 HIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000435533508 860848522 /nfs/dbraw/zinc/84/85/22/860848522.db2.gz JETQCRQZAACARW-DDRRAVBJSA-N 2 2 408.586 4.021 20 0 HIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000435533508 860848523 /nfs/dbraw/zinc/84/85/23/860848523.db2.gz JETQCRQZAACARW-DDRRAVBJSA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000435533508 860848533 /nfs/dbraw/zinc/84/85/33/860848533.db2.gz JETQCRQZAACARW-DDRRAVBJSA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000435533508 860848539 /nfs/dbraw/zinc/84/85/39/860848539.db2.gz JETQCRQZAACARW-DDRRAVBJSA-N 2 2 408.586 4.021 20 0 HIADLP CC(C)Sc1ccc(Cl)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000438012128 863372329 /nfs/dbraw/zinc/37/23/29/863372329.db2.gz MNDPGFKKIPSVOL-UHFFFAOYSA-N 2 2 413.031 4.330 20 0 HIADLP CC(C)Sc1ccc(Cl)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000438012128 863372343 /nfs/dbraw/zinc/37/23/43/863372343.db2.gz MNDPGFKKIPSVOL-UHFFFAOYSA-N 2 2 413.031 4.330 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000438210218 863641564 /nfs/dbraw/zinc/64/15/64/863641564.db2.gz UCYDRKKNAWMTQA-UHFFFAOYSA-N 2 2 416.610 4.135 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000438210218 863641583 /nfs/dbraw/zinc/64/15/83/863641583.db2.gz UCYDRKKNAWMTQA-UHFFFAOYSA-N 2 2 416.610 4.135 20 0 HIADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000438999964 864454571 /nfs/dbraw/zinc/45/45/71/864454571.db2.gz MVOILEKGPUUURG-LBUQITIBSA-N 2 2 401.576 4.449 20 0 HIADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000438999964 864454579 /nfs/dbraw/zinc/45/45/79/864454579.db2.gz MVOILEKGPUUURG-LBUQITIBSA-N 2 2 401.576 4.449 20 0 HIADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3cccc(-c4ccncc4)c3)CC2)cc1 ZINC000439473023 864844879 /nfs/dbraw/zinc/84/48/79/864844879.db2.gz KWKLDUXMHOYRRN-UHFFFAOYSA-N 2 2 414.597 4.436 20 0 HIADLP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000439998254 865303520 /nfs/dbraw/zinc/30/35/20/865303520.db2.gz KSFJLJSEXOEDJF-KRWDZBQOSA-N 2 2 423.388 4.123 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc2c1 ZINC000441327240 866398075 /nfs/dbraw/zinc/39/80/75/866398075.db2.gz GKNOBYARVCANMI-CVDCTZTESA-N 2 2 411.590 4.002 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc2c1 ZINC000441327240 866398088 /nfs/dbraw/zinc/39/80/88/866398088.db2.gz GKNOBYARVCANMI-CVDCTZTESA-N 2 2 411.590 4.002 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)ccc2c1 ZINC000441327240 866398089 /nfs/dbraw/zinc/39/80/89/866398089.db2.gz GKNOBYARVCANMI-CVDCTZTESA-N 2 2 411.590 4.002 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+](C)CC[C@@H]3CCCC[N@H+]3C)ccc2c1 ZINC000441327240 866398090 /nfs/dbraw/zinc/39/80/90/866398090.db2.gz GKNOBYARVCANMI-CVDCTZTESA-N 2 2 411.590 4.002 20 0 HIADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441376429 866444225 /nfs/dbraw/zinc/44/42/25/866444225.db2.gz KEOARWROEWVGAM-MBSDFSHPSA-N 2 2 404.514 4.061 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)c(C)c1 ZINC000441381788 866452372 /nfs/dbraw/zinc/45/23/72/866452372.db2.gz JPAMGQYHPYEGSA-SFTDATJTSA-N 2 2 408.933 4.290 20 0 HIADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394611 866467932 /nfs/dbraw/zinc/46/79/32/866467932.db2.gz LLWAYVGYRXNPMM-YYFZDKIDSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394611 866467944 /nfs/dbraw/zinc/46/79/44/866467944.db2.gz LLWAYVGYRXNPMM-YYFZDKIDSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394611 866467954 /nfs/dbraw/zinc/46/79/54/866467954.db2.gz LLWAYVGYRXNPMM-YYFZDKIDSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394611 866467963 /nfs/dbraw/zinc/46/79/63/866467963.db2.gz LLWAYVGYRXNPMM-YYFZDKIDSA-N 2 2 410.389 4.119 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccco1 ZINC000441522855 866599554 /nfs/dbraw/zinc/59/95/54/866599554.db2.gz RYAFJXSVNBNWGR-FGZHOGPDSA-N 2 2 423.561 4.217 20 0 HIADLP CC[N@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616938 866715910 /nfs/dbraw/zinc/71/59/10/866715910.db2.gz CCBLVSCTUZVSRW-ILBGXUMGSA-N 2 2 423.601 4.075 20 0 HIADLP CC[N@@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616938 866715945 /nfs/dbraw/zinc/71/59/45/866715945.db2.gz CCBLVSCTUZVSRW-ILBGXUMGSA-N 2 2 423.601 4.075 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C)c1 ZINC000442233504 867268677 /nfs/dbraw/zinc/26/86/77/867268677.db2.gz DXRWYAFYDOQGAY-XMMPIXPASA-N 2 2 419.573 4.015 20 0 HIADLP COCCC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000442854396 867698406 /nfs/dbraw/zinc/69/84/06/867698406.db2.gz ANGPAAZAHRLELP-BJKOFHAPSA-N 2 2 400.538 4.174 20 0 HIADLP COCCC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000442854396 867698415 /nfs/dbraw/zinc/69/84/15/867698415.db2.gz ANGPAAZAHRLELP-BJKOFHAPSA-N 2 2 400.538 4.174 20 0 HIADLP C[N@@H+]1CCN(CC[NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1(C)C ZINC000442874813 867710046 /nfs/dbraw/zinc/71/00/46/867710046.db2.gz NYOUOMHUWCBPOY-NRFANRHFSA-N 2 2 407.936 4.323 20 0 HIADLP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1(C)C ZINC000442874813 867710051 /nfs/dbraw/zinc/71/00/51/867710051.db2.gz NYOUOMHUWCBPOY-NRFANRHFSA-N 2 2 407.936 4.323 20 0 HIADLP Cc1cc(C)cc(OCc2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)c1 ZINC000443601663 868157377 /nfs/dbraw/zinc/15/73/77/868157377.db2.gz KHBKUMXNWBCRFQ-UHFFFAOYSA-N 2 2 412.578 4.353 20 0 HIADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444793267 869011738 /nfs/dbraw/zinc/01/17/38/869011738.db2.gz HBFIBKMVHHBJJI-UGKGYDQZSA-N 2 2 402.542 4.218 20 0 HIADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444793267 869011751 /nfs/dbraw/zinc/01/17/51/869011751.db2.gz HBFIBKMVHHBJJI-UGKGYDQZSA-N 2 2 402.542 4.218 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000447093855 870990295 /nfs/dbraw/zinc/99/02/95/870990295.db2.gz NAVLRBRITBRPSM-UHFFFAOYSA-N 2 2 419.525 4.416 20 0 HIADLP C[NH+](C)Cc1ccsc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000447095674 870993790 /nfs/dbraw/zinc/99/37/90/870993790.db2.gz YYKAFJWWFIJWDU-UHFFFAOYSA-N 2 2 412.584 4.077 20 0 HIADLP C[NH+](C)Cc1ccsc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000447095674 870993807 /nfs/dbraw/zinc/99/38/07/870993807.db2.gz YYKAFJWWFIJWDU-UHFFFAOYSA-N 2 2 412.584 4.077 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1Br ZINC000447935958 871817293 /nfs/dbraw/zinc/81/72/93/871817293.db2.gz LCNULLVQUSROQE-OAHLLOKOSA-N 2 2 405.384 4.013 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1Br ZINC000447935958 871817294 /nfs/dbraw/zinc/81/72/94/871817294.db2.gz LCNULLVQUSROQE-OAHLLOKOSA-N 2 2 405.384 4.013 20 0 HIADLP CC(C)c1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c2ccccc2n1 ZINC000460504186 873190316 /nfs/dbraw/zinc/19/03/16/873190316.db2.gz PXOAISSLZGHIIE-UHFFFAOYSA-N 2 2 408.590 4.038 20 0 HIADLP Cc1c([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cnn1C(C)(C)C ZINC000468828059 882879640 /nfs/dbraw/zinc/87/96/40/882879640.db2.gz FBVFLEGINIVPSM-NRFANRHFSA-N 2 2 411.638 4.195 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000462003618 875125013 /nfs/dbraw/zinc/12/50/13/875125013.db2.gz CTKFCNYVJQUTEG-NRFANRHFSA-N 2 2 423.605 4.118 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000462003618 875125018 /nfs/dbraw/zinc/12/50/18/875125018.db2.gz CTKFCNYVJQUTEG-NRFANRHFSA-N 2 2 423.605 4.118 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2sccc2Br)C[C@H](C)O1 ZINC000462537392 875658412 /nfs/dbraw/zinc/65/84/12/875658412.db2.gz VSNDFYYXVNKYBA-GASCZTMLSA-N 2 2 409.393 4.410 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2sccc2Br)C[C@H](C)O1 ZINC000462537392 875658419 /nfs/dbraw/zinc/65/84/19/875658419.db2.gz VSNDFYYXVNKYBA-GASCZTMLSA-N 2 2 409.393 4.410 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462798988 875847061 /nfs/dbraw/zinc/84/70/61/875847061.db2.gz VAIVBVPIFSHSSN-WOJBJXKFSA-N 2 2 412.496 4.349 20 0 HIADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)CC2)cc1 ZINC000463113603 876153565 /nfs/dbraw/zinc/15/35/65/876153565.db2.gz ZMHDDDRJTRFFQQ-NRFANRHFSA-N 3 2 415.622 4.396 20 0 HIADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)cc1 ZINC000463113603 876153570 /nfs/dbraw/zinc/15/35/70/876153570.db2.gz ZMHDDDRJTRFFQQ-NRFANRHFSA-N 3 2 415.622 4.396 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N2CCCC2)cc1 ZINC000463141810 876193170 /nfs/dbraw/zinc/19/31/70/876193170.db2.gz ZZYKNXURAATERF-CVJWPJSTSA-N 2 2 407.602 4.475 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N2CCCC2)cc1 ZINC000463141810 876193176 /nfs/dbraw/zinc/19/31/76/876193176.db2.gz ZZYKNXURAATERF-CVJWPJSTSA-N 2 2 407.602 4.475 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N2CCCC2)cc1 ZINC000463141812 876193677 /nfs/dbraw/zinc/19/36/77/876193677.db2.gz ZZYKNXURAATERF-NZJKTDFXSA-N 2 2 407.602 4.475 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N2CCCC2)cc1 ZINC000463141812 876193679 /nfs/dbraw/zinc/19/36/79/876193679.db2.gz ZZYKNXURAATERF-NZJKTDFXSA-N 2 2 407.602 4.475 20 0 HIADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nc4ccc(Br)cc4o3)C1)CCCC2 ZINC000463199888 876259908 /nfs/dbraw/zinc/25/99/08/876259908.db2.gz ZYBMZQPSNSOSPT-OAHLLOKOSA-N 2 2 415.335 4.421 20 0 HIADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nc4ccc(Br)cc4o3)C1)CCCC2 ZINC000463199888 876259919 /nfs/dbraw/zinc/25/99/19/876259919.db2.gz ZYBMZQPSNSOSPT-OAHLLOKOSA-N 2 2 415.335 4.421 20 0 HIADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)c2ccccc21 ZINC000463253823 876310582 /nfs/dbraw/zinc/31/05/82/876310582.db2.gz AGCVJYGZBQCURU-KRWDZBQOSA-N 2 2 416.997 4.222 20 0 HIADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)c2ccccc21 ZINC000463253823 876310590 /nfs/dbraw/zinc/31/05/90/876310590.db2.gz AGCVJYGZBQCURU-KRWDZBQOSA-N 2 2 416.997 4.222 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc(F)cc1 ZINC000463695001 876814210 /nfs/dbraw/zinc/81/42/10/876814210.db2.gz ANXZYQWWYZBETL-JOCHJYFZSA-N 2 2 421.520 4.450 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H]1c1ccccc1 ZINC000463704399 876823761 /nfs/dbraw/zinc/82/37/61/876823761.db2.gz QGQCZIVJCBORLR-GOTSBHOMSA-N 2 2 415.541 4.453 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H]1c1ccccc1 ZINC000463704399 876823765 /nfs/dbraw/zinc/82/37/65/876823765.db2.gz QGQCZIVJCBORLR-GOTSBHOMSA-N 2 2 415.541 4.453 20 0 HIADLP CC[N@H+](CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)CCC(F)(F)F ZINC000463708005 876826559 /nfs/dbraw/zinc/82/65/59/876826559.db2.gz XOHNOOGOSNEHAG-UHFFFAOYSA-N 2 2 423.483 4.282 20 0 HIADLP CC[N@@H+](CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)CCC(F)(F)F ZINC000463708005 876826563 /nfs/dbraw/zinc/82/65/63/876826563.db2.gz XOHNOOGOSNEHAG-UHFFFAOYSA-N 2 2 423.483 4.282 20 0 HIADLP CCc1ccc(-c2ccc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)o2)cc1 ZINC000463992455 877127647 /nfs/dbraw/zinc/12/76/47/877127647.db2.gz DOVLCYSEFAWIJS-UHFFFAOYSA-N 2 2 409.574 4.189 20 0 HIADLP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)C2=O)ccc1Br ZINC000464066862 877213340 /nfs/dbraw/zinc/21/33/40/877213340.db2.gz IPIFDRUPTBHSCE-LJQANCHMSA-N 2 2 422.411 4.105 20 0 HIADLP CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804741 878048261 /nfs/dbraw/zinc/04/82/61/878048261.db2.gz HTKYHEQUBQGBTO-UHFFFAOYSA-N 2 2 418.944 4.441 20 0 HIADLP CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804741 878048279 /nfs/dbraw/zinc/04/82/79/878048279.db2.gz HTKYHEQUBQGBTO-UHFFFAOYSA-N 2 2 418.944 4.441 20 0 HIADLP CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810460 878060158 /nfs/dbraw/zinc/06/01/58/878060158.db2.gz PJUBGKYPCLEIAM-UHFFFAOYSA-N 2 2 420.479 4.277 20 0 HIADLP CC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810460 878060173 /nfs/dbraw/zinc/06/01/73/878060173.db2.gz PJUBGKYPCLEIAM-UHFFFAOYSA-N 2 2 420.479 4.277 20 0 HIADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837468 878100952 /nfs/dbraw/zinc/10/09/52/878100952.db2.gz LTRGMYGTXXKWRE-IRLDBZIGSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837468 878100954 /nfs/dbraw/zinc/10/09/54/878100954.db2.gz LTRGMYGTXXKWRE-IRLDBZIGSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464837468 878100957 /nfs/dbraw/zinc/10/09/57/878100957.db2.gz LTRGMYGTXXKWRE-IRLDBZIGSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464837468 878100963 /nfs/dbraw/zinc/10/09/63/878100963.db2.gz LTRGMYGTXXKWRE-IRLDBZIGSA-N 2 2 419.569 4.406 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503388449 912371940 /nfs/dbraw/zinc/37/19/40/912371940.db2.gz CNJWJONJRDTMGY-IRLDBZIGSA-N 2 2 408.590 4.225 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503388449 912371962 /nfs/dbraw/zinc/37/19/62/912371962.db2.gz CNJWJONJRDTMGY-IRLDBZIGSA-N 2 2 408.590 4.225 20 0 HIADLP O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCCCC1 ZINC000503407983 912388415 /nfs/dbraw/zinc/38/84/15/912388415.db2.gz GUTGYMQDZDDFBU-GGAORHGYSA-N 2 2 406.574 4.153 20 0 HIADLP O=C([C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCCCC1 ZINC000503407983 912388432 /nfs/dbraw/zinc/38/84/32/912388432.db2.gz GUTGYMQDZDDFBU-GGAORHGYSA-N 2 2 406.574 4.153 20 0 HIADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000465419362 878849282 /nfs/dbraw/zinc/84/92/82/878849282.db2.gz ARNKPWYETJPDCC-HXUWFJFHSA-N 2 2 408.590 4.150 20 0 HIADLP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000503412472 912394943 /nfs/dbraw/zinc/39/49/43/912394943.db2.gz VCFQDAZYYOUGBJ-INIZCTEOSA-N 2 2 416.953 4.090 20 0 HIADLP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000503412472 912394967 /nfs/dbraw/zinc/39/49/67/912394967.db2.gz VCFQDAZYYOUGBJ-INIZCTEOSA-N 2 2 416.953 4.090 20 0 HIADLP CCC(CC)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000465540038 879000933 /nfs/dbraw/zinc/00/09/33/879000933.db2.gz IUWCSNPFWVNWTJ-HSZRJFAPSA-N 2 2 414.638 4.413 20 0 HIADLP CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503430444 912429294 /nfs/dbraw/zinc/42/92/94/912429294.db2.gz CWATYLRZMCICNY-DENIHFKCSA-N 2 2 411.590 4.136 20 0 HIADLP CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503430444 912429308 /nfs/dbraw/zinc/42/93/08/912429308.db2.gz CWATYLRZMCICNY-DENIHFKCSA-N 2 2 411.590 4.136 20 0 HIADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc(C)c1OC(F)F ZINC000512370628 921111595 /nfs/dbraw/zinc/11/15/95/921111595.db2.gz VBXKEHRPVYUHIF-UHFFFAOYSA-N 2 2 403.517 4.439 20 0 HIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc(C)c1OC(F)F ZINC000512370628 921111590 /nfs/dbraw/zinc/11/15/90/921111590.db2.gz VBXKEHRPVYUHIF-UHFFFAOYSA-N 2 2 403.517 4.439 20 0 HIADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000465906205 879568430 /nfs/dbraw/zinc/56/84/30/879568430.db2.gz NKAQWZOXEKWLOM-SFHVURJKSA-N 2 2 414.619 4.212 20 0 HIADLP CC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000465932588 879597221 /nfs/dbraw/zinc/59/72/21/879597221.db2.gz NJZVYTPKHPSXHN-INIZCTEOSA-N 2 2 413.031 4.102 20 0 HIADLP CSc1ccc(Cl)cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466137338 879847429 /nfs/dbraw/zinc/84/74/29/879847429.db2.gz FBKXSOUGRUFMSW-UHFFFAOYSA-N 2 2 411.015 4.134 20 0 HIADLP CC[NH+](CC)CCOC1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000467015202 880818801 /nfs/dbraw/zinc/81/88/01/880818801.db2.gz FUHWIWHXYUJXLE-UHFFFAOYSA-N 2 2 406.368 4.325 20 0 HIADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000467161138 880893664 /nfs/dbraw/zinc/89/36/64/880893664.db2.gz GUHNXAVSQBIEMQ-HNNXBMFYSA-N 2 2 416.393 4.143 20 0 HIADLP Brc1cccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CCOCC2)c1 ZINC000467393935 881178126 /nfs/dbraw/zinc/17/81/26/881178126.db2.gz MWVUDXKKHKRHBG-OAQYLSRUSA-N 2 2 418.379 4.282 20 0 HIADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469778090 883953973 /nfs/dbraw/zinc/95/39/73/883953973.db2.gz YPPXUZQBBZMEII-FOIQADDNSA-N 2 2 414.431 4.347 20 0 HIADLP C[C@@H](CCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000472751406 887597069 /nfs/dbraw/zinc/59/70/69/887597069.db2.gz MJGXOTZJYCLYFE-SFTDATJTSA-N 2 2 424.589 4.112 20 0 HIADLP C[C@@H](CCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472751406 887597080 /nfs/dbraw/zinc/59/70/80/887597080.db2.gz MJGXOTZJYCLYFE-SFTDATJTSA-N 2 2 424.589 4.112 20 0 HIADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000474248648 889097734 /nfs/dbraw/zinc/09/77/34/889097734.db2.gz LPVHDOSZOCODCN-UHFFFAOYSA-N 2 2 413.525 4.062 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C2 ZINC000474909509 889769810 /nfs/dbraw/zinc/76/98/10/889769810.db2.gz IPWSBAIFUQAJGQ-RBUKOAKNSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C2 ZINC000474909509 889769817 /nfs/dbraw/zinc/76/98/17/889769817.db2.gz IPWSBAIFUQAJGQ-RBUKOAKNSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000474909509 889769824 /nfs/dbraw/zinc/76/98/24/889769824.db2.gz IPWSBAIFUQAJGQ-RBUKOAKNSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)CC2 ZINC000474909509 889769836 /nfs/dbraw/zinc/76/98/36/889769836.db2.gz IPWSBAIFUQAJGQ-RBUKOAKNSA-N 2 2 408.590 4.186 20 0 HIADLP COc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1Br ZINC000475356409 890282281 /nfs/dbraw/zinc/28/22/81/890282281.db2.gz SXHOIMDGXLQUAE-UHFFFAOYSA-N 2 2 421.301 4.353 20 0 HIADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000476028407 890960266 /nfs/dbraw/zinc/96/02/66/890960266.db2.gz WRVBATUFCZBSPY-INIZCTEOSA-N 2 2 408.949 4.261 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)C2 ZINC000476461182 891373093 /nfs/dbraw/zinc/37/30/93/891373093.db2.gz RUPUEXRXDLQSIO-SESVDKBCSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)C2 ZINC000476461182 891373109 /nfs/dbraw/zinc/37/31/09/891373109.db2.gz RUPUEXRXDLQSIO-SESVDKBCSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC000476461182 891373124 /nfs/dbraw/zinc/37/31/24/891373124.db2.gz RUPUEXRXDLQSIO-SESVDKBCSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)CC2 ZINC000476461182 891373140 /nfs/dbraw/zinc/37/31/40/891373140.db2.gz RUPUEXRXDLQSIO-SESVDKBCSA-N 2 2 408.590 4.055 20 0 HIADLP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1)CC(C)C ZINC000476593720 891525681 /nfs/dbraw/zinc/52/56/81/891525681.db2.gz AIBZHVIOCBEFHZ-HXUWFJFHSA-N 2 2 402.627 4.245 20 0 HIADLP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1)CC(C)C ZINC000476593720 891525692 /nfs/dbraw/zinc/52/56/92/891525692.db2.gz AIBZHVIOCBEFHZ-HXUWFJFHSA-N 2 2 402.627 4.245 20 0 HIADLP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1)CC(C)C ZINC000476593720 891525704 /nfs/dbraw/zinc/52/57/04/891525704.db2.gz AIBZHVIOCBEFHZ-HXUWFJFHSA-N 2 2 402.627 4.245 20 0 HIADLP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1)CC(C)C ZINC000476593720 891525714 /nfs/dbraw/zinc/52/57/14/891525714.db2.gz AIBZHVIOCBEFHZ-HXUWFJFHSA-N 2 2 402.627 4.245 20 0 HIADLP C[N@H+](Cc1cc(Cl)ccc1OC(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512379734 921117804 /nfs/dbraw/zinc/11/78/04/921117804.db2.gz NYUNBLBVZFOIMZ-UHFFFAOYSA-N 2 2 409.908 4.475 20 0 HIADLP C[N@@H+](Cc1cc(Cl)ccc1OC(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512379734 921117811 /nfs/dbraw/zinc/11/78/11/921117811.db2.gz NYUNBLBVZFOIMZ-UHFFFAOYSA-N 2 2 409.908 4.475 20 0 HIADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccco1 ZINC000479019446 894286095 /nfs/dbraw/zinc/28/60/95/894286095.db2.gz PYFKWNDXAUAZSF-UWJYYQICSA-N 2 2 419.529 4.446 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCc4nn(-c5ccccc5)cc43)[nH+]c2)CC1 ZINC000479431524 894746900 /nfs/dbraw/zinc/74/69/00/894746900.db2.gz ZUVLLPVHZNVKAZ-QHCPKHFHSA-N 2 2 416.573 4.287 20 0 HIADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000479464073 894785506 /nfs/dbraw/zinc/78/55/06/894785506.db2.gz UICRHNGCWYNGTF-LJQANCHMSA-N 2 2 402.542 4.467 20 0 HIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H](Cc3ccccn3)c3cccnc3)C2)CC1 ZINC000479494535 894814339 /nfs/dbraw/zinc/81/43/39/894814339.db2.gz CDOGLFWTIWFZHL-XVAXZDLZSA-N 2 2 404.480 4.155 20 0 HIADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000479498440 894815462 /nfs/dbraw/zinc/81/54/62/894815462.db2.gz MKMKRWHHTDBXIV-WPUWVODUSA-N 2 2 424.511 4.426 20 0 HIADLP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000479920428 895268611 /nfs/dbraw/zinc/26/86/11/895268611.db2.gz BBHKWAWSONXYJP-INIZCTEOSA-N 2 2 404.938 4.040 20 0 HIADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)c1 ZINC000480244498 895653558 /nfs/dbraw/zinc/65/35/58/895653558.db2.gz HIWAIBSJZIQGHW-FQEVSTJZSA-N 2 2 420.601 4.088 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480726298 896086429 /nfs/dbraw/zinc/08/64/29/896086429.db2.gz GYTLBTZSTUMSCH-YFVAEKQCSA-N 2 2 418.507 4.179 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480726298 896086446 /nfs/dbraw/zinc/08/64/46/896086446.db2.gz GYTLBTZSTUMSCH-YFVAEKQCSA-N 2 2 418.507 4.179 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(F)cc3OC(F)F)cc2)CC1 ZINC000480727796 896088400 /nfs/dbraw/zinc/08/84/00/896088400.db2.gz JYQULIBJZYFIJF-KRWDZBQOSA-N 2 2 421.507 4.415 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(Br)s3)cc2)CC1 ZINC000480743187 896104981 /nfs/dbraw/zinc/10/49/81/896104981.db2.gz YSRAHRVWHHYPDL-MRXNPFEDSA-N 2 2 422.436 4.499 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000480900910 896257884 /nfs/dbraw/zinc/25/78/84/896257884.db2.gz SKMPYIIREBPHGE-OXJNMPFZSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000480900910 896257901 /nfs/dbraw/zinc/25/79/01/896257901.db2.gz SKMPYIIREBPHGE-OXJNMPFZSA-N 2 2 413.363 4.097 20 0 HIADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000480905123 896261597 /nfs/dbraw/zinc/26/15/97/896261597.db2.gz WNWZXOCFAXNVBH-GOSISDBHSA-N 2 2 403.517 4.195 20 0 HIADLP C[C@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000481037595 896364372 /nfs/dbraw/zinc/36/43/72/896364372.db2.gz KXDHSALOGCCQER-WMZHIEFXSA-N 2 2 415.603 4.182 20 0 HIADLP CCN(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1nc2ccccc2s1 ZINC000481169856 896503672 /nfs/dbraw/zinc/50/36/72/896503672.db2.gz JEQZYDYZGCTJCW-AZUAARDMSA-N 2 2 422.598 4.149 20 0 HIADLP CCN(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nc2ccccc2s1 ZINC000481169856 896503679 /nfs/dbraw/zinc/50/36/79/896503679.db2.gz JEQZYDYZGCTJCW-AZUAARDMSA-N 2 2 422.598 4.149 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481177480 896514293 /nfs/dbraw/zinc/51/42/93/896514293.db2.gz ZXIOKAQFQGUCKB-UWVAXJGDSA-N 2 2 415.965 4.176 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481177480 896514315 /nfs/dbraw/zinc/51/43/15/896514315.db2.gz ZXIOKAQFQGUCKB-UWVAXJGDSA-N 2 2 415.965 4.176 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cc(Cl)ccc1F ZINC000481181787 896523439 /nfs/dbraw/zinc/52/34/39/896523439.db2.gz NSHACIWFUWWYOA-TWOQFEAHSA-N 2 2 403.929 4.306 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cc(Cl)ccc1F ZINC000481181787 896523451 /nfs/dbraw/zinc/52/34/51/896523451.db2.gz NSHACIWFUWWYOA-TWOQFEAHSA-N 2 2 403.929 4.306 20 0 HIADLP CCSc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481188008 896535772 /nfs/dbraw/zinc/53/57/72/896535772.db2.gz HYKGOPCUBCRREA-LJQANCHMSA-N 2 2 400.588 4.360 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc2ccccc2o1 ZINC000481189029 896538484 /nfs/dbraw/zinc/53/84/84/896538484.db2.gz ZPNCLKOTRUPBMZ-IHFIDZABSA-N 2 2 419.569 4.499 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc2ccccc2o1 ZINC000481189029 896538504 /nfs/dbraw/zinc/53/85/04/896538504.db2.gz ZPNCLKOTRUPBMZ-IHFIDZABSA-N 2 2 419.569 4.499 20 0 HIADLP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCCO2 ZINC000481190643 896541096 /nfs/dbraw/zinc/54/10/96/896541096.db2.gz MPMAYDCURDGBFR-HSZRJFAPSA-N 2 2 410.558 4.018 20 0 HIADLP COc1ccc2oc([C@@H](C)[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)c(C)c2c1 ZINC000481195922 896548469 /nfs/dbraw/zinc/54/84/69/896548469.db2.gz YRHGZDYNPFHLOF-LJQANCHMSA-N 2 2 424.541 4.312 20 0 HIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481211763 896565165 /nfs/dbraw/zinc/56/51/65/896565165.db2.gz XXUANCCSLQOYSB-KRWDZBQOSA-N 2 2 417.619 4.311 20 0 HIADLP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cn2)c1 ZINC000481305428 896652987 /nfs/dbraw/zinc/65/29/87/896652987.db2.gz GFVADYLEPPXYAB-YADARESESA-N 2 2 418.541 4.278 20 0 HIADLP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cn2)c1 ZINC000481305428 896652991 /nfs/dbraw/zinc/65/29/91/896652991.db2.gz GFVADYLEPPXYAB-YADARESESA-N 2 2 418.541 4.278 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000481317398 896670064 /nfs/dbraw/zinc/67/00/64/896670064.db2.gz IQTZSFGTEHSPND-KRWDZBQOSA-N 2 2 408.464 4.311 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000481408791 896813662 /nfs/dbraw/zinc/81/36/62/896813662.db2.gz UWWXSWGDPKIMQF-SFHVURJKSA-N 2 2 420.500 4.158 20 0 HIADLP c1ccc2c(c1)CO[C@]21CCC[N@@H+](CCC[NH+]2CCC[C@]3(C2)OCc2ccccc23)C1 ZINC000481698082 897085682 /nfs/dbraw/zinc/08/56/82/897085682.db2.gz SPQNQHVMBQQNJG-MKPDMIMOSA-N 2 2 418.581 4.420 20 0 HIADLP c1ccc2c(c1)CO[C@]21CCC[N@H+](CCC[NH+]2CCC[C@]3(C2)OCc2ccccc23)C1 ZINC000481698082 897085700 /nfs/dbraw/zinc/08/57/00/897085700.db2.gz SPQNQHVMBQQNJG-MKPDMIMOSA-N 2 2 418.581 4.420 20 0 HIADLP c1ccc2c(c1)CO[C@]21CCC[NH+](CCC[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)C1 ZINC000481698082 897085716 /nfs/dbraw/zinc/08/57/16/897085716.db2.gz SPQNQHVMBQQNJG-MKPDMIMOSA-N 2 2 418.581 4.420 20 0 HIADLP c1ccc2c(c1)CO[C@]21CCC[NH+](CCC[N@H+]2CCC[C@]3(C2)OCc2ccccc23)C1 ZINC000481698082 897085732 /nfs/dbraw/zinc/08/57/32/897085732.db2.gz SPQNQHVMBQQNJG-MKPDMIMOSA-N 2 2 418.581 4.420 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481716327 897108395 /nfs/dbraw/zinc/10/83/95/897108395.db2.gz KIMBIONVXDNJRN-BKMJKUGQSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481716327 897108403 /nfs/dbraw/zinc/10/84/03/897108403.db2.gz KIMBIONVXDNJRN-BKMJKUGQSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481963585 897353769 /nfs/dbraw/zinc/35/37/69/897353769.db2.gz YNGVBAAWKAOSPZ-FDDCHVKYSA-N 2 2 410.949 4.250 20 0 HIADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2cccs2)cc1 ZINC000482117633 897569428 /nfs/dbraw/zinc/56/94/28/897569428.db2.gz ANFNSFSVCIOBRX-IBGZPJMESA-N 2 2 420.582 4.200 20 0 HIADLP COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)o2)cc1 ZINC000482197235 897672761 /nfs/dbraw/zinc/67/27/61/897672761.db2.gz GPZUAPUMVFIEIW-UHFFFAOYSA-N 2 2 405.429 4.348 20 0 HIADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000482431742 897987536 /nfs/dbraw/zinc/98/75/36/897987536.db2.gz DEYWWCKVYXFFGN-REWPJTCUSA-N 2 2 403.574 4.099 20 0 HIADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000482431742 897987544 /nfs/dbraw/zinc/98/75/44/897987544.db2.gz DEYWWCKVYXFFGN-REWPJTCUSA-N 2 2 403.574 4.099 20 0 HIADLP CC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000483064506 898743877 /nfs/dbraw/zinc/74/38/77/898743877.db2.gz WRRNSLMCZLFVCB-UHFFFAOYSA-N 2 2 420.601 4.381 20 0 HIADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000483155276 898829406 /nfs/dbraw/zinc/82/94/06/898829406.db2.gz LGZQPBXWULOMHX-SFHVURJKSA-N 2 2 422.038 4.109 20 0 HIADLP Cc1cn2cc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc2[nH+]1 ZINC000483320717 898948678 /nfs/dbraw/zinc/94/86/78/898948678.db2.gz HZSHZBIMJRWZSS-IFMALSPDSA-N 2 2 403.530 4.161 20 0 HIADLP Cc1cn2cc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccc2[nH+]1 ZINC000483320717 898948682 /nfs/dbraw/zinc/94/86/82/898948682.db2.gz HZSHZBIMJRWZSS-IFMALSPDSA-N 2 2 403.530 4.161 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C3CCCC3)cc1)CCC2 ZINC000483447131 899083185 /nfs/dbraw/zinc/08/31/85/899083185.db2.gz ZPWSRQNRIVLKHQ-HKUYNNGSSA-N 2 2 401.576 4.136 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000483537739 899200622 /nfs/dbraw/zinc/20/06/22/899200622.db2.gz JKYRZEYFAKERJY-UHFFFAOYSA-N 2 2 408.933 4.182 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000483537739 899200637 /nfs/dbraw/zinc/20/06/37/899200637.db2.gz JKYRZEYFAKERJY-UHFFFAOYSA-N 2 2 408.933 4.182 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000483573951 899227838 /nfs/dbraw/zinc/22/78/38/899227838.db2.gz BCBMYUAFWIDAIR-ISKFKSNPSA-N 2 2 414.553 4.307 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000483573951 899227855 /nfs/dbraw/zinc/22/78/55/899227855.db2.gz BCBMYUAFWIDAIR-ISKFKSNPSA-N 2 2 414.553 4.307 20 0 HIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1cccc(Br)c1 ZINC000483816595 899494453 /nfs/dbraw/zinc/49/44/53/899494453.db2.gz JACHKYIQRHJXAZ-CSODHUTKSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1cccc(Br)c1 ZINC000483816595 899494463 /nfs/dbraw/zinc/49/44/63/899494463.db2.gz JACHKYIQRHJXAZ-CSODHUTKSA-N 2 2 418.379 4.112 20 0 HIADLP CN(C(=O)c1ccc(F)c2ccccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000484074983 899708472 /nfs/dbraw/zinc/70/84/72/899708472.db2.gz QVYWZBGLPNJILE-DNQXCXABSA-N 2 2 411.565 4.388 20 0 HIADLP CN(C(=O)c1ccc(F)c2ccccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000484074983 899708477 /nfs/dbraw/zinc/70/84/77/899708477.db2.gz QVYWZBGLPNJILE-DNQXCXABSA-N 2 2 411.565 4.388 20 0 HIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CCCC1)c1ccccc1 ZINC000484130484 899751682 /nfs/dbraw/zinc/75/16/82/899751682.db2.gz MSLUFDZYQLPHFY-RBUKOAKNSA-N 2 2 415.603 4.372 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484140967 899760605 /nfs/dbraw/zinc/76/06/05/899760605.db2.gz GTUUGRSGYSSBRA-MTNREXPMSA-N 2 2 422.598 4.047 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484140967 899760614 /nfs/dbraw/zinc/76/06/14/899760614.db2.gz GTUUGRSGYSSBRA-MTNREXPMSA-N 2 2 422.598 4.047 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)s1 ZINC000484145344 899764934 /nfs/dbraw/zinc/76/49/34/899764934.db2.gz WYMTUITVEYCURY-USXIJHARSA-N 2 2 409.393 4.044 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)s1 ZINC000484145344 899764941 /nfs/dbraw/zinc/76/49/41/899764941.db2.gz WYMTUITVEYCURY-USXIJHARSA-N 2 2 409.393 4.044 20 0 HIADLP CC[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc2c(c1)OCCO2 ZINC000484164467 899783560 /nfs/dbraw/zinc/78/35/60/899783560.db2.gz RCJFQGBAUDBCJC-SIKLNZKXSA-N 2 2 410.558 4.399 20 0 HIADLP COc1cc2[nH]c(CCC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2c(OC)c1 ZINC000484294334 899857721 /nfs/dbraw/zinc/85/77/21/899857721.db2.gz LZEKGSTYZFTHQO-MBSDFSHPSA-N 2 2 422.573 4.013 20 0 HIADLP COc1cc2[nH]c(CCC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2c(OC)c1 ZINC000484294334 899857725 /nfs/dbraw/zinc/85/77/25/899857725.db2.gz LZEKGSTYZFTHQO-MBSDFSHPSA-N 2 2 422.573 4.013 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2cncn2)cc1Cl ZINC000484479026 899971756 /nfs/dbraw/zinc/97/17/56/899971756.db2.gz GIWZHCOKPABLMK-IUKKYPGJSA-N 2 2 409.965 4.482 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2cncn2)cc1Cl ZINC000484479026 899971763 /nfs/dbraw/zinc/97/17/63/899971763.db2.gz GIWZHCOKPABLMK-IUKKYPGJSA-N 2 2 409.965 4.482 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2cncn2)cc1Cl ZINC000484479027 899972116 /nfs/dbraw/zinc/97/21/16/899972116.db2.gz GIWZHCOKPABLMK-STSQHVNTSA-N 2 2 409.965 4.482 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2cncn2)cc1Cl ZINC000484479027 899972127 /nfs/dbraw/zinc/97/21/27/899972127.db2.gz GIWZHCOKPABLMK-STSQHVNTSA-N 2 2 409.965 4.482 20 0 HIADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC(F)F)c1 ZINC000484496891 899988836 /nfs/dbraw/zinc/98/88/36/899988836.db2.gz BXNAEUJNGABCNI-UWJYYQICSA-N 2 2 419.516 4.472 20 0 HIADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC(F)F)c1 ZINC000484496891 899988845 /nfs/dbraw/zinc/98/88/45/899988845.db2.gz BXNAEUJNGABCNI-UWJYYQICSA-N 2 2 419.516 4.472 20 0 HIADLP CC1(C)CC(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC(C)(C)[NH2+]1 ZINC000485369777 900667882 /nfs/dbraw/zinc/66/78/82/900667882.db2.gz BGDCPYNIEGQQCN-UHFFFAOYSA-N 2 2 417.985 4.058 20 0 HIADLP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)cc1O ZINC000486475896 901636510 /nfs/dbraw/zinc/63/65/10/901636510.db2.gz KOWVKNHHGWDFMJ-RDJZCZTQSA-N 2 2 419.363 4.164 20 0 HIADLP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)cc1O ZINC000486475896 901636513 /nfs/dbraw/zinc/63/65/13/901636513.db2.gz KOWVKNHHGWDFMJ-RDJZCZTQSA-N 2 2 419.363 4.164 20 0 HIADLP c1sc(CCc2ccccc2)nc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506011445 914684092 /nfs/dbraw/zinc/68/40/92/914684092.db2.gz BDKCBGRCKVMCQT-UHFFFAOYSA-N 2 2 413.631 4.253 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000489287631 903309793 /nfs/dbraw/zinc/30/97/93/903309793.db2.gz FPGZFSKRHDQUET-MRXNPFEDSA-N 2 2 418.944 4.440 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000489287631 903309808 /nfs/dbraw/zinc/30/98/08/903309808.db2.gz FPGZFSKRHDQUET-MRXNPFEDSA-N 2 2 418.944 4.440 20 0 HIADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489294562 903315320 /nfs/dbraw/zinc/31/53/20/903315320.db2.gz OMZDUWGNQVKBIP-OAQYLSRUSA-N 2 2 408.590 4.057 20 0 HIADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489294562 903315326 /nfs/dbraw/zinc/31/53/26/903315326.db2.gz OMZDUWGNQVKBIP-OAQYLSRUSA-N 2 2 408.590 4.057 20 0 HIADLP CCN(C(=O)[C@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000489331728 903334089 /nfs/dbraw/zinc/33/40/89/903334089.db2.gz RZICECGOUSHHRU-FQEVSTJZSA-N 2 2 400.611 4.190 20 0 HIADLP CCN(C(=O)[C@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000489331728 903334096 /nfs/dbraw/zinc/33/40/96/903334096.db2.gz RZICECGOUSHHRU-FQEVSTJZSA-N 2 2 400.611 4.190 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000489387307 903358905 /nfs/dbraw/zinc/35/89/05/903358905.db2.gz HEIUQTDWIFEQNE-MRXNPFEDSA-N 2 2 418.944 4.440 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000489387307 903358923 /nfs/dbraw/zinc/35/89/23/903358923.db2.gz HEIUQTDWIFEQNE-MRXNPFEDSA-N 2 2 418.944 4.440 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000489425040 903377522 /nfs/dbraw/zinc/37/75/22/903377522.db2.gz TYQTYSJEDQOCPU-LYAPCXFUSA-N 2 2 424.633 4.093 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000489425040 903377535 /nfs/dbraw/zinc/37/75/35/903377535.db2.gz TYQTYSJEDQOCPU-LYAPCXFUSA-N 2 2 424.633 4.093 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000489460795 903397685 /nfs/dbraw/zinc/39/76/85/903397685.db2.gz VUPLFOYWPQFRKY-LJQANCHMSA-N 2 2 405.546 4.355 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000489460795 903397694 /nfs/dbraw/zinc/39/76/94/903397694.db2.gz VUPLFOYWPQFRKY-LJQANCHMSA-N 2 2 405.546 4.355 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C[C@H](C)O1 ZINC000490121036 903776975 /nfs/dbraw/zinc/77/69/75/903776975.db2.gz XXOUGMNEHWKOIH-CEYNDMKZSA-N 2 2 422.548 4.048 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C[C@H](C)O1 ZINC000490121036 903776985 /nfs/dbraw/zinc/77/69/85/903776985.db2.gz XXOUGMNEHWKOIH-CEYNDMKZSA-N 2 2 422.548 4.048 20 0 HIADLP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000491052335 904397892 /nfs/dbraw/zinc/39/78/92/904397892.db2.gz LPBGGVSRBGWAMR-QFIPXVFZSA-N 2 2 404.501 4.468 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000491054887 904399392 /nfs/dbraw/zinc/39/93/92/904399392.db2.gz XVFJUEKGMVGLAB-DEOSSOPVSA-N 2 2 408.590 4.230 20 0 HIADLP Cc1ccc([C@H]([NH2+]CCCCNc2cccc[nH+]2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491056918 904400826 /nfs/dbraw/zinc/40/08/26/904400826.db2.gz VIMGSLNDCYUTAE-DEOSSOPVSA-N 2 2 423.582 4.365 20 0 HIADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491829303 904702566 /nfs/dbraw/zinc/70/25/66/904702566.db2.gz BJBRTHDUTYUYRB-UHFFFAOYSA-N 2 2 418.545 4.024 20 0 HIADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1=O ZINC000506205418 914844686 /nfs/dbraw/zinc/84/46/86/914844686.db2.gz LYEUNKVKLJVVDJ-LJQANCHMSA-N 2 2 422.411 4.024 20 0 HIADLP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1Br ZINC000512384879 921122067 /nfs/dbraw/zinc/12/20/67/921122067.db2.gz XVLQYWKMSUPMAW-UHFFFAOYSA-N 2 2 402.380 4.291 20 0 HIADLP Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1Br ZINC000512384879 921122070 /nfs/dbraw/zinc/12/20/70/921122070.db2.gz XVLQYWKMSUPMAW-UHFFFAOYSA-N 2 2 402.380 4.291 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512389359 921126062 /nfs/dbraw/zinc/12/60/62/921126062.db2.gz KNKYPQRPOKZHAD-UHFFFAOYSA-N 2 2 414.351 4.354 20 0 HIADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000493989781 905333470 /nfs/dbraw/zinc/33/34/70/905333470.db2.gz MHTRPPMOPWGWAH-ZRBLBEILSA-N 2 2 416.512 4.345 20 0 HIADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000494138041 905480663 /nfs/dbraw/zinc/48/06/63/905480663.db2.gz WKQORZPJZORDEX-XLIONFOSSA-N 2 2 423.782 4.075 20 0 HIADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000494138041 905480673 /nfs/dbraw/zinc/48/06/73/905480673.db2.gz WKQORZPJZORDEX-XLIONFOSSA-N 2 2 423.782 4.075 20 0 HIADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494402046 905694665 /nfs/dbraw/zinc/69/46/65/905694665.db2.gz BNQRQIAFDMOHGD-BJKOFHAPSA-N 2 2 421.589 4.208 20 0 HIADLP Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494459652 905741922 /nfs/dbraw/zinc/74/19/22/905741922.db2.gz VSQQFMSHKIUKLA-FQEVSTJZSA-N 2 2 403.917 4.494 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](C[C@@H]3CCOC3)c3ccc(F)cc3)[nH+]c2)CC1 ZINC000494825779 906020048 /nfs/dbraw/zinc/02/00/48/906020048.db2.gz OWNOBHOFVQFAKF-MBSDFSHPSA-N 2 2 412.553 4.331 20 0 HIADLP CN(C(=O)Nc1cccc(F)c1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000495033018 906189192 /nfs/dbraw/zinc/18/91/92/906189192.db2.gz XUKYKIQQMTYBPK-RBUKOAKNSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cccc(F)c1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495033018 906189201 /nfs/dbraw/zinc/18/92/01/906189201.db2.gz XUKYKIQQMTYBPK-RBUKOAKNSA-N 2 2 410.965 4.280 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495185275 906294379 /nfs/dbraw/zinc/29/43/79/906294379.db2.gz UQLBHCTZPDVKNG-CYFREDJKSA-N 2 2 402.542 4.074 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495185275 906294395 /nfs/dbraw/zinc/29/43/95/906294395.db2.gz UQLBHCTZPDVKNG-CYFREDJKSA-N 2 2 402.542 4.074 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495185275 906294415 /nfs/dbraw/zinc/29/44/15/906294415.db2.gz UQLBHCTZPDVKNG-CYFREDJKSA-N 2 2 402.542 4.074 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000495185275 906294430 /nfs/dbraw/zinc/29/44/30/906294430.db2.gz UQLBHCTZPDVKNG-CYFREDJKSA-N 2 2 402.542 4.074 20 0 HIADLP COc1cc(Br)c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000495184473 906294612 /nfs/dbraw/zinc/29/46/12/906294612.db2.gz PSHCYSVEBKPECL-NVXWUHKLSA-N 2 2 419.363 4.164 20 0 HIADLP COc1cc(Br)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000495184473 906294630 /nfs/dbraw/zinc/29/46/30/906294630.db2.gz PSHCYSVEBKPECL-NVXWUHKLSA-N 2 2 419.363 4.164 20 0 HIADLP CCSc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000495757738 906544302 /nfs/dbraw/zinc/54/43/02/906544302.db2.gz OCUCTPNWVZVGGY-YADHBBJMSA-N 2 2 403.636 4.208 20 0 HIADLP CCSc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000495757738 906544310 /nfs/dbraw/zinc/54/43/10/906544310.db2.gz OCUCTPNWVZVGGY-YADHBBJMSA-N 2 2 403.636 4.208 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(CSc4ccccc4)cc3)CC2)CC1 ZINC000497426173 906898567 /nfs/dbraw/zinc/89/85/67/906898567.db2.gz ONKBOQHCYRZNTN-UHFFFAOYSA-N 2 2 423.626 4.267 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469718 906949281 /nfs/dbraw/zinc/94/92/81/906949281.db2.gz JCQLXUOEMNWGKA-DHIUTWEWSA-N 2 2 413.512 4.124 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469718 906949291 /nfs/dbraw/zinc/94/92/91/906949291.db2.gz JCQLXUOEMNWGKA-DHIUTWEWSA-N 2 2 413.512 4.124 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469718 906949308 /nfs/dbraw/zinc/94/93/08/906949308.db2.gz JCQLXUOEMNWGKA-DHIUTWEWSA-N 2 2 413.512 4.124 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469718 906949319 /nfs/dbraw/zinc/94/93/19/906949319.db2.gz JCQLXUOEMNWGKA-DHIUTWEWSA-N 2 2 413.512 4.124 20 0 HIADLP C[C@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1cccc(Br)c1 ZINC000512697719 921290863 /nfs/dbraw/zinc/29/08/63/921290863.db2.gz USDRVJZSVBLNPW-QRVBRYPASA-N 2 2 408.428 4.043 20 0 HIADLP C[C@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1cccc(Br)c1 ZINC000512697719 921290867 /nfs/dbraw/zinc/29/08/67/921290867.db2.gz USDRVJZSVBLNPW-QRVBRYPASA-N 2 2 408.428 4.043 20 0 HIADLP FC(F)(F)c1ccc(C[C@@]2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCOC2)cc1 ZINC000513027867 921488381 /nfs/dbraw/zinc/48/83/81/921488381.db2.gz QJJTVSIFYTZTAJ-IBGZPJMESA-N 2 2 407.461 4.444 20 0 HIADLP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000500010142 909463457 /nfs/dbraw/zinc/46/34/57/909463457.db2.gz SUJOQAUQRWRBTQ-GBXCKJPGSA-N 2 2 402.542 4.229 20 0 HIADLP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000500010142 909463469 /nfs/dbraw/zinc/46/34/69/909463469.db2.gz SUJOQAUQRWRBTQ-GBXCKJPGSA-N 2 2 402.542 4.229 20 0 HIADLP CC[N@H+](Cc1ccc(-c2nc([C@H]3C[NH+](Cc4ccccc4)CCO3)no2)cc1)C1CC1 ZINC000500808826 910093830 /nfs/dbraw/zinc/09/38/30/910093830.db2.gz DMLXNRUFJORYSW-HSZRJFAPSA-N 2 2 418.541 4.294 20 0 HIADLP CC[N@@H+](Cc1ccc(-c2nc([C@H]3C[NH+](Cc4ccccc4)CCO3)no2)cc1)C1CC1 ZINC000500808826 910093846 /nfs/dbraw/zinc/09/38/46/910093846.db2.gz DMLXNRUFJORYSW-HSZRJFAPSA-N 2 2 418.541 4.294 20 0 HIADLP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1)C1CC1 ZINC000500808826 910093859 /nfs/dbraw/zinc/09/38/59/910093859.db2.gz DMLXNRUFJORYSW-HSZRJFAPSA-N 2 2 418.541 4.294 20 0 HIADLP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1)C1CC1 ZINC000500808826 910093872 /nfs/dbraw/zinc/09/38/72/910093872.db2.gz DMLXNRUFJORYSW-HSZRJFAPSA-N 2 2 418.541 4.294 20 0 HIADLP Brc1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000513104679 921553076 /nfs/dbraw/zinc/55/30/76/921553076.db2.gz LWDQBAIAGWPWRI-UHFFFAOYSA-N 2 2 422.436 4.198 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC(CCC[NH+](C)C)CC2)c(C)c1 ZINC000500894918 910167055 /nfs/dbraw/zinc/16/70/55/910167055.db2.gz OXNTUVXBLOYEFT-HSZRJFAPSA-N 2 2 411.594 4.005 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC(CCC[NH+](C)C)CC2)c(C)c1 ZINC000500894920 910167082 /nfs/dbraw/zinc/16/70/82/910167082.db2.gz OXNTUVXBLOYEFT-QHCPKHFHSA-N 2 2 411.594 4.005 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000501478392 910592066 /nfs/dbraw/zinc/59/20/66/910592066.db2.gz YABFFKVMKSTYPR-WOJBJXKFSA-N 2 2 407.558 4.144 20 0 HIADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(Br)c1 ZINC000501768883 910823790 /nfs/dbraw/zinc/82/37/90/910823790.db2.gz FBRVKXSDBCBKMI-INIZCTEOSA-N 2 2 410.400 4.138 20 0 HIADLP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501959583 910946324 /nfs/dbraw/zinc/94/63/24/910946324.db2.gz QUZGXVVAAGIHPU-YKSBVNFPSA-N 2 2 402.542 4.229 20 0 HIADLP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501959583 910946341 /nfs/dbraw/zinc/94/63/41/910946341.db2.gz QUZGXVVAAGIHPU-YKSBVNFPSA-N 2 2 402.542 4.229 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503070807 912037052 /nfs/dbraw/zinc/03/70/52/912037052.db2.gz DNSOAUXKKGRAMO-LRDDRELGSA-N 2 2 400.832 4.077 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503070807 912037072 /nfs/dbraw/zinc/03/70/72/912037072.db2.gz DNSOAUXKKGRAMO-LRDDRELGSA-N 2 2 400.832 4.077 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2cccs2)cc1 ZINC000503076794 912048175 /nfs/dbraw/zinc/04/81/75/912048175.db2.gz QXVLFDFZRBXBPC-XZOYJPPVSA-N 2 2 422.598 4.296 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2cccs2)cc1 ZINC000503076794 912048188 /nfs/dbraw/zinc/04/81/88/912048188.db2.gz QXVLFDFZRBXBPC-XZOYJPPVSA-N 2 2 422.598 4.296 20 0 HIADLP CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000507006235 915817874 /nfs/dbraw/zinc/81/78/74/915817874.db2.gz DMPFQSUUDMXEER-FQEVSTJZSA-N 2 2 420.557 4.340 20 0 HIADLP CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000507006235 915817878 /nfs/dbraw/zinc/81/78/78/915817878.db2.gz DMPFQSUUDMXEER-FQEVSTJZSA-N 2 2 420.557 4.340 20 0 HIADLP COc1cccc(Cn2c3ccccc3[nH+]c2NCc2ncc(C[NH+](C)C)s2)c1 ZINC000508456815 917240291 /nfs/dbraw/zinc/24/02/91/917240291.db2.gz FRRDDULUEYPWKT-UHFFFAOYSA-N 2 2 407.543 4.223 20 0 HIADLP CC(C)Sc1ccc([C@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000508560681 917335471 /nfs/dbraw/zinc/33/54/71/917335471.db2.gz LTWQPSIIQDTYHX-SFHVURJKSA-N 2 2 418.651 4.106 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000508631531 917396504 /nfs/dbraw/zinc/39/65/04/917396504.db2.gz QOLIMCUYYDHVNV-KRWDZBQOSA-N 2 2 403.452 4.079 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000508631531 917396510 /nfs/dbraw/zinc/39/65/10/917396510.db2.gz QOLIMCUYYDHVNV-KRWDZBQOSA-N 2 2 403.452 4.079 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000508673913 917437846 /nfs/dbraw/zinc/43/78/46/917437846.db2.gz DWWBEVNVIDTCJQ-HXUWFJFHSA-N 2 2 403.574 4.413 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000508673913 917437856 /nfs/dbraw/zinc/43/78/56/917437856.db2.gz DWWBEVNVIDTCJQ-HXUWFJFHSA-N 2 2 403.574 4.413 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000509030291 917785841 /nfs/dbraw/zinc/78/58/41/917785841.db2.gz ICKDKXJIJKCJDJ-FQEVSTJZSA-N 2 2 417.985 4.097 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000509030291 917785845 /nfs/dbraw/zinc/78/58/45/917785845.db2.gz ICKDKXJIJKCJDJ-FQEVSTJZSA-N 2 2 417.985 4.097 20 0 HIADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509032769 917789335 /nfs/dbraw/zinc/78/93/35/917789335.db2.gz NOPMVJFPWGKAEY-DEOSSOPVSA-N 2 2 417.601 4.021 20 0 HIADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509032769 917789345 /nfs/dbraw/zinc/78/93/45/917789345.db2.gz NOPMVJFPWGKAEY-DEOSSOPVSA-N 2 2 417.601 4.021 20 0 HIADLP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509487343 918131663 /nfs/dbraw/zinc/13/16/63/918131663.db2.gz HRFDZEQMOKIVCE-HXUWFJFHSA-N 2 2 419.573 4.128 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Sc4ccccn4)o3)cc2)CC1 ZINC000509954641 918548000 /nfs/dbraw/zinc/54/80/00/918548000.db2.gz KRXUPYLGTGKZJS-UHFFFAOYSA-N 2 2 422.598 4.253 20 0 HIADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000510508088 918955016 /nfs/dbraw/zinc/95/50/16/918955016.db2.gz BQGJXEDTXMQGJA-UHFFFAOYSA-N 2 2 417.557 4.248 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000510522477 918967570 /nfs/dbraw/zinc/96/75/70/918967570.db2.gz IHBWFECNWZCLHY-HNNXBMFYSA-N 2 2 400.324 4.046 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000510522477 918967579 /nfs/dbraw/zinc/96/75/79/918967579.db2.gz IHBWFECNWZCLHY-HNNXBMFYSA-N 2 2 400.324 4.046 20 0 HIADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)[NH+](C)C ZINC000510552540 918996723 /nfs/dbraw/zinc/99/67/23/918996723.db2.gz VYMXXTQACLXSRQ-HOYKHHGWSA-N 2 2 417.557 4.127 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000510644263 919084589 /nfs/dbraw/zinc/08/45/89/919084589.db2.gz HXEOYSKDEHHYEP-IMSXRSKXSA-N 2 2 423.605 4.193 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000510644263 919084606 /nfs/dbraw/zinc/08/46/06/919084606.db2.gz HXEOYSKDEHHYEP-IMSXRSKXSA-N 2 2 423.605 4.193 20 0 HIADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511246013 919845305 /nfs/dbraw/zinc/84/53/05/919845305.db2.gz DLVLJSLXMCDNIT-GONLTWLXSA-N 2 2 421.589 4.064 20 0 HIADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511246013 919845314 /nfs/dbraw/zinc/84/53/14/919845314.db2.gz DLVLJSLXMCDNIT-GONLTWLXSA-N 2 2 421.589 4.064 20 0 HIADLP CC(C)N1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511925353 920672057 /nfs/dbraw/zinc/67/20/57/920672057.db2.gz YBGXKVDRYLDDNY-ICSRJNTNSA-N 2 2 410.990 4.311 20 0 HIADLP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(Br)c1 ZINC000512135235 920882718 /nfs/dbraw/zinc/88/27/18/920882718.db2.gz HBVGFSLRKQNBHS-GOSISDBHSA-N 2 2 403.364 4.112 20 0 HIADLP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(Br)c1 ZINC000512135235 920882724 /nfs/dbraw/zinc/88/27/24/920882724.db2.gz HBVGFSLRKQNBHS-GOSISDBHSA-N 2 2 403.364 4.112 20 0 HIADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000512282758 921036357 /nfs/dbraw/zinc/03/63/57/921036357.db2.gz UJWOKTOHLVZCEZ-UHFFFAOYSA-N 2 2 406.555 4.041 20 0 HIADLP Clc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-n2cncn2)c1 ZINC000512284974 921038728 /nfs/dbraw/zinc/03/87/28/921038728.db2.gz FAPYMNMPLCKMBY-QHCPKHFHSA-N 2 2 407.949 4.019 20 0 HIADLP Clc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-n2cncn2)c1 ZINC000512284974 921038741 /nfs/dbraw/zinc/03/87/41/921038741.db2.gz FAPYMNMPLCKMBY-QHCPKHFHSA-N 2 2 407.949 4.019 20 0 HIADLP Clc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(-n2cncn2)c1 ZINC000512284974 921038752 /nfs/dbraw/zinc/03/87/52/921038752.db2.gz FAPYMNMPLCKMBY-QHCPKHFHSA-N 2 2 407.949 4.019 20 0 HIADLP Clc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(-n2cncn2)c1 ZINC000512284974 921038765 /nfs/dbraw/zinc/03/87/65/921038765.db2.gz FAPYMNMPLCKMBY-QHCPKHFHSA-N 2 2 407.949 4.019 20 0 HIADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000514234028 922572938 /nfs/dbraw/zinc/57/29/38/922572938.db2.gz IRBSMFLSFUVVLG-WOJBJXKFSA-N 2 2 408.464 4.433 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000515522232 923153592 /nfs/dbraw/zinc/15/35/92/923153592.db2.gz CGNFZPRZTQLILY-OHUGHZGNSA-N 2 2 405.586 4.274 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000515522232 923153602 /nfs/dbraw/zinc/15/36/02/923153602.db2.gz CGNFZPRZTQLILY-OHUGHZGNSA-N 2 2 405.586 4.274 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCCC1)c1ccccc1 ZINC000516202873 923596445 /nfs/dbraw/zinc/59/64/45/923596445.db2.gz QUPCXHIQZMVWQT-FQEVSTJZSA-N 2 2 402.542 4.325 20 0 HIADLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(Cl)c1OC ZINC000516559707 923795885 /nfs/dbraw/zinc/79/58/85/923795885.db2.gz KDPUBOITGNALSB-UYAOXDASSA-N 2 2 400.950 4.311 20 0 HIADLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(Cl)c1OC ZINC000516559707 923795894 /nfs/dbraw/zinc/79/58/94/923795894.db2.gz KDPUBOITGNALSB-UYAOXDASSA-N 2 2 400.950 4.311 20 0 HIADLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(Cl)c1OC ZINC000516559707 923795900 /nfs/dbraw/zinc/79/59/00/923795900.db2.gz KDPUBOITGNALSB-UYAOXDASSA-N 2 2 400.950 4.311 20 0 HIADLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(Cl)c1OC ZINC000516559707 923795908 /nfs/dbraw/zinc/79/59/08/923795908.db2.gz KDPUBOITGNALSB-UYAOXDASSA-N 2 2 400.950 4.311 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000516622441 923820251 /nfs/dbraw/zinc/82/02/51/923820251.db2.gz KGNJUQXMXLMZFZ-CALCHBBNSA-N 2 2 407.628 4.007 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000516622441 923820258 /nfs/dbraw/zinc/82/02/58/923820258.db2.gz KGNJUQXMXLMZFZ-CALCHBBNSA-N 2 2 407.628 4.007 20 0 HIADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000517149729 924026082 /nfs/dbraw/zinc/02/60/82/924026082.db2.gz YYYYJQWHSLARRW-FQEVSTJZSA-N 2 2 415.969 4.063 20 0 HIADLP CC(C)Cc1ccc([C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000517885399 926875120 /nfs/dbraw/zinc/87/51/20/926875120.db2.gz UNBOMGNAMWSUST-DEOSSOPVSA-N 2 2 416.654 4.250 20 0 HIADLP CC(C)Cc1ccc([C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000517885399 926875126 /nfs/dbraw/zinc/87/51/26/926875126.db2.gz UNBOMGNAMWSUST-DEOSSOPVSA-N 2 2 416.654 4.250 20 0 HIADLP CCC[N@H+](CC)Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000518342096 927207579 /nfs/dbraw/zinc/20/75/79/927207579.db2.gz BCZXXCFJWPXHFL-UHFFFAOYSA-N 2 2 420.557 4.468 20 0 HIADLP CCC[N@@H+](CC)Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000518342096 927207590 /nfs/dbraw/zinc/20/75/90/927207590.db2.gz BCZXXCFJWPXHFL-UHFFFAOYSA-N 2 2 420.557 4.468 20 0 HIADLP CC(C)Cc1ccc([C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C2CC2)cc1 ZINC000519211743 927830150 /nfs/dbraw/zinc/83/01/50/927830150.db2.gz FXKPQOFMIYKUQQ-DEOSSOPVSA-N 2 2 414.638 4.004 20 0 HIADLP CC(C)Cc1ccc([C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C2CC2)cc1 ZINC000519211743 927830151 /nfs/dbraw/zinc/83/01/51/927830151.db2.gz FXKPQOFMIYKUQQ-DEOSSOPVSA-N 2 2 414.638 4.004 20 0 HIADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000519557234 928014826 /nfs/dbraw/zinc/01/48/26/928014826.db2.gz NBCJQLNKWICTPL-IBGZPJMESA-N 2 2 424.976 4.154 20 0 HIADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000520189337 928377410 /nfs/dbraw/zinc/37/74/10/928377410.db2.gz KVTIALNJOCNHNT-MRXNPFEDSA-N 2 2 412.405 4.321 20 0 HIADLP C[NH+](C)[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(Cl)c1 ZINC000521061704 928967571 /nfs/dbraw/zinc/96/75/71/928967571.db2.gz LZWUMNIBLFZPHX-FQEVSTJZSA-N 2 2 403.979 4.130 20 0 HIADLP C[N@H+](CCN1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1)Cc1ccccc1 ZINC000521784478 929444415 /nfs/dbraw/zinc/44/44/15/929444415.db2.gz VZGLUTBOMSQKHT-UHFFFAOYSA-N 2 2 422.400 4.122 20 0 HIADLP C[N@@H+](CCN1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1)Cc1ccccc1 ZINC000521784478 929444426 /nfs/dbraw/zinc/44/44/26/929444426.db2.gz VZGLUTBOMSQKHT-UHFFFAOYSA-N 2 2 422.400 4.122 20 0 HIADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC(C)C ZINC000522020306 929620417 /nfs/dbraw/zinc/62/04/17/929620417.db2.gz WWKCSECXHXCBEJ-NFBKMPQASA-N 2 2 412.574 4.424 20 0 HIADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC(C)C ZINC000522020306 929620428 /nfs/dbraw/zinc/62/04/28/929620428.db2.gz WWKCSECXHXCBEJ-NFBKMPQASA-N 2 2 412.574 4.424 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000530711297 930803938 /nfs/dbraw/zinc/80/39/38/930803938.db2.gz LXBDKULVKNAVEI-LLVKDONJSA-N 2 2 400.832 4.289 20 0 HIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000530870427 930844225 /nfs/dbraw/zinc/84/42/25/930844225.db2.gz MPGDEMKSBDYMPL-UHFFFAOYSA-N 2 2 419.013 4.181 20 0 HIADLP C[C@H](c1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000531293394 931005501 /nfs/dbraw/zinc/00/55/01/931005501.db2.gz QNALFQPWPZIVHI-HYBUGGRVSA-N 2 2 407.558 4.073 20 0 HIADLP C[C@H](c1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000531293394 931005509 /nfs/dbraw/zinc/00/55/09/931005509.db2.gz QNALFQPWPZIVHI-HYBUGGRVSA-N 2 2 407.558 4.073 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000531299390 931007530 /nfs/dbraw/zinc/00/75/30/931007530.db2.gz HOZQJJWWTZELMS-IRLDBZIGSA-N 2 2 402.542 4.306 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000531299390 931007533 /nfs/dbraw/zinc/00/75/33/931007533.db2.gz HOZQJJWWTZELMS-IRLDBZIGSA-N 2 2 402.542 4.306 20 0 HIADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000531691870 931156140 /nfs/dbraw/zinc/15/61/40/931156140.db2.gz TXZOLAZZUISNBU-IBGZPJMESA-N 2 2 424.976 4.154 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000531695381 931158651 /nfs/dbraw/zinc/15/86/51/931158651.db2.gz PVKMWUWVKHNIJI-PMACEKPBSA-N 3 2 404.558 4.252 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000531695381 931158655 /nfs/dbraw/zinc/15/86/55/931158655.db2.gz PVKMWUWVKHNIJI-PMACEKPBSA-N 3 2 404.558 4.252 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000531697274 931161581 /nfs/dbraw/zinc/16/15/81/931161581.db2.gz XUHAZIHOTRZQCX-KRWDZBQOSA-N 2 2 419.363 4.011 20 0 HIADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1Br ZINC000531965890 931268393 /nfs/dbraw/zinc/26/83/93/931268393.db2.gz RKZKSHNUMFFANM-UTKZUKDTSA-N 2 2 402.380 4.088 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000532451107 931439360 /nfs/dbraw/zinc/43/93/60/931439360.db2.gz BIKHUDVNURSGBO-LJQANCHMSA-N 2 2 423.582 4.499 20 0 HIADLP CCOc1ccc(Oc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccn2)cc1 ZINC000532448920 931439557 /nfs/dbraw/zinc/43/95/57/931439557.db2.gz RYYQGGUTCJVQOF-UHFFFAOYSA-N 2 2 404.514 4.426 20 0 HIADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000532500187 931463746 /nfs/dbraw/zinc/46/37/46/931463746.db2.gz IEPSTUBTTLBRJJ-HNNXBMFYSA-N 2 2 418.419 4.278 20 0 HIADLP O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000533037061 931748727 /nfs/dbraw/zinc/74/87/27/931748727.db2.gz SLGFZIHZDODXBU-UHFFFAOYSA-N 2 2 409.921 4.266 20 0 HIADLP O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000533037061 931748731 /nfs/dbraw/zinc/74/87/31/931748731.db2.gz SLGFZIHZDODXBU-UHFFFAOYSA-N 2 2 409.921 4.266 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533289587 931829262 /nfs/dbraw/zinc/82/92/62/931829262.db2.gz RIDDLDQYZQTYMU-QPPBQGQZSA-N 2 2 405.586 4.231 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533289587 931829263 /nfs/dbraw/zinc/82/92/63/931829263.db2.gz RIDDLDQYZQTYMU-QPPBQGQZSA-N 2 2 405.586 4.231 20 0 HIADLP C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000533347566 931844267 /nfs/dbraw/zinc/84/42/67/931844267.db2.gz SQJXGUAYHRIMIE-KRWDZBQOSA-N 2 2 421.570 4.304 20 0 HIADLP CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649626 931945587 /nfs/dbraw/zinc/94/55/87/931945587.db2.gz PORRKANHCLJLNU-UXHICEINSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649626 931945595 /nfs/dbraw/zinc/94/55/95/931945595.db2.gz PORRKANHCLJLNU-UXHICEINSA-N 2 2 412.405 4.403 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)n1C(C)C ZINC000533649263 931945767 /nfs/dbraw/zinc/94/57/67/931945767.db2.gz PPKJTTARFCJKSI-PKTZIBPZSA-N 2 2 402.627 4.095 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1C(C)C ZINC000533649263 931945778 /nfs/dbraw/zinc/94/57/78/931945778.db2.gz PPKJTTARFCJKSI-PKTZIBPZSA-N 2 2 402.627 4.095 20 0 HIADLP CN(C(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650303 931946583 /nfs/dbraw/zinc/94/65/83/931946583.db2.gz WBDAIIZBEJKVTK-UXHICEINSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650303 931946588 /nfs/dbraw/zinc/94/65/88/931946588.db2.gz WBDAIIZBEJKVTK-UXHICEINSA-N 2 2 411.512 4.115 20 0 HIADLP CC(C)[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000533663240 931956214 /nfs/dbraw/zinc/95/62/14/931956214.db2.gz WKWAYJVJJZFCLD-SMIHKQSGSA-N 2 2 414.638 4.362 20 0 HIADLP CC(C)[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000533663240 931956215 /nfs/dbraw/zinc/95/62/15/931956215.db2.gz WKWAYJVJJZFCLD-SMIHKQSGSA-N 2 2 414.638 4.362 20 0 HIADLP CC(C)c1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533672910 931962472 /nfs/dbraw/zinc/96/24/72/931962472.db2.gz YZXODIYJPCAUGP-BJKOFHAPSA-N 2 2 414.638 4.289 20 0 HIADLP CC(C)c1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533672910 931962481 /nfs/dbraw/zinc/96/24/81/931962481.db2.gz YZXODIYJPCAUGP-BJKOFHAPSA-N 2 2 414.638 4.289 20 0 HIADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@H+](C)Cc1ccccc1 ZINC000533881793 932078659 /nfs/dbraw/zinc/07/86/59/932078659.db2.gz NWGRMRCUJZQSAG-IBGZPJMESA-N 2 2 415.541 4.244 20 0 HIADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@@H+](C)Cc1ccccc1 ZINC000533881793 932078665 /nfs/dbraw/zinc/07/86/65/932078665.db2.gz NWGRMRCUJZQSAG-IBGZPJMESA-N 2 2 415.541 4.244 20 0 HIADLP Cc1cc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534213723 932336189 /nfs/dbraw/zinc/33/61/89/932336189.db2.gz SZGKFQVRYATCHP-FGZHOGPDSA-N 2 2 400.611 4.413 20 0 HIADLP Cc1cc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534213723 932336194 /nfs/dbraw/zinc/33/61/94/932336194.db2.gz SZGKFQVRYATCHP-FGZHOGPDSA-N 2 2 400.611 4.413 20 0 HIADLP CN(C(=O)CCc1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358651 932391760 /nfs/dbraw/zinc/39/17/60/932391760.db2.gz GGCIRZOOZBIPTI-VXKWHMMOSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1ccccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358651 932391768 /nfs/dbraw/zinc/39/17/68/932391768.db2.gz GGCIRZOOZBIPTI-VXKWHMMOSA-N 2 2 406.014 4.068 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000534358090 932392404 /nfs/dbraw/zinc/39/24/04/932392404.db2.gz JMQVUFBJSCYFEW-ZQMYSKGWSA-N 2 2 421.576 4.254 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000534358090 932392409 /nfs/dbraw/zinc/39/24/09/932392409.db2.gz JMQVUFBJSCYFEW-ZQMYSKGWSA-N 2 2 421.576 4.254 20 0 HIADLP CN(C(=O)CCCc1ccc(F)c(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361176 932394985 /nfs/dbraw/zinc/39/49/85/932394985.db2.gz UZTVRKYVGKTTNX-XZOQPEGZSA-N 2 2 421.576 4.083 20 0 HIADLP CN(C(=O)CCCc1ccc(F)c(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361176 932394992 /nfs/dbraw/zinc/39/49/92/932394992.db2.gz UZTVRKYVGKTTNX-XZOQPEGZSA-N 2 2 421.576 4.083 20 0 HIADLP CN(C(=O)CCCc1ccc(F)c(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361173 932395128 /nfs/dbraw/zinc/39/51/28/932395128.db2.gz UZTVRKYVGKTTNX-DHIUTWEWSA-N 2 2 421.576 4.083 20 0 HIADLP CN(C(=O)CCCc1ccc(F)c(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361173 932395134 /nfs/dbraw/zinc/39/51/34/932395134.db2.gz UZTVRKYVGKTTNX-DHIUTWEWSA-N 2 2 421.576 4.083 20 0 HIADLP CN(C(=O)CCCc1ccc(F)c(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361174 932395324 /nfs/dbraw/zinc/39/53/24/932395324.db2.gz UZTVRKYVGKTTNX-GOTSBHOMSA-N 2 2 421.576 4.083 20 0 HIADLP CN(C(=O)CCCc1ccc(F)c(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361174 932395330 /nfs/dbraw/zinc/39/53/30/932395330.db2.gz UZTVRKYVGKTTNX-GOTSBHOMSA-N 2 2 421.576 4.083 20 0 HIADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534598939 932583943 /nfs/dbraw/zinc/58/39/43/932583943.db2.gz KFPAZYMIBSAUOG-FQEVSTJZSA-N 2 2 407.562 4.378 20 0 HIADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534598939 932583951 /nfs/dbraw/zinc/58/39/51/932583951.db2.gz KFPAZYMIBSAUOG-FQEVSTJZSA-N 2 2 407.562 4.378 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000534599652 932585272 /nfs/dbraw/zinc/58/52/72/932585272.db2.gz MPRJPDVMEAWLGJ-FQEVSTJZSA-N 2 2 405.546 4.084 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000534747063 932718806 /nfs/dbraw/zinc/71/88/06/932718806.db2.gz MTPDWBKUTZPORD-UHFFFAOYSA-N 2 2 400.611 4.135 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC000534747063 932718827 /nfs/dbraw/zinc/71/88/27/932718827.db2.gz MTPDWBKUTZPORD-UHFFFAOYSA-N 2 2 400.611 4.135 20 0 HIADLP CSc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534932047 932844539 /nfs/dbraw/zinc/84/45/39/932844539.db2.gz KSLHPJCNCAEDAO-LEWJYISDSA-N 2 2 404.624 4.209 20 0 HIADLP CSc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534932047 932844541 /nfs/dbraw/zinc/84/45/41/932844541.db2.gz KSLHPJCNCAEDAO-LEWJYISDSA-N 2 2 404.624 4.209 20 0 HIADLP COc1cccc(NC(=O)[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c2ccccc2)c1 ZINC000534980398 932874089 /nfs/dbraw/zinc/87/40/89/932874089.db2.gz QGNQBPJNMYHDKI-XMMPIXPASA-N 2 2 421.516 4.366 20 0 HIADLP CN(C(=O)CCCc1c[nH]c2ccccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093744 932907510 /nfs/dbraw/zinc/90/75/10/932907510.db2.gz DNXRGQBIUTYSBK-JWQCQUIFSA-N 2 2 424.633 4.286 20 0 HIADLP CN(C(=O)CCCc1c[nH]c2ccccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093744 932907516 /nfs/dbraw/zinc/90/75/16/932907516.db2.gz DNXRGQBIUTYSBK-JWQCQUIFSA-N 2 2 424.633 4.286 20 0 HIADLP C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094656 932909003 /nfs/dbraw/zinc/90/90/03/932909003.db2.gz KJNAYCZEPJHDCK-VEXUSMLFSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094656 932909007 /nfs/dbraw/zinc/90/90/07/932909007.db2.gz KJNAYCZEPJHDCK-VEXUSMLFSA-N 2 2 417.613 4.190 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095643 932910751 /nfs/dbraw/zinc/91/07/51/932910751.db2.gz ROODRMJQFOWBAM-MOPGFXCFSA-N 2 2 412.043 4.130 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095643 932910757 /nfs/dbraw/zinc/91/07/57/932910757.db2.gz ROODRMJQFOWBAM-MOPGFXCFSA-N 2 2 412.043 4.130 20 0 HIADLP CC(C)OCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535099595 932915958 /nfs/dbraw/zinc/91/59/58/932915958.db2.gz JRJPJWVJFUPWHI-RPWUZVMVSA-N 2 2 415.622 4.021 20 0 HIADLP CC(C)OCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535099595 932915972 /nfs/dbraw/zinc/91/59/72/932915972.db2.gz JRJPJWVJFUPWHI-RPWUZVMVSA-N 2 2 415.622 4.021 20 0 HIADLP Cc1cc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000535109064 932926228 /nfs/dbraw/zinc/92/62/28/932926228.db2.gz CDFNBEWKDXELJG-BULFRSBZSA-N 2 2 420.667 4.405 20 0 HIADLP Cc1cc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000535109064 932926237 /nfs/dbraw/zinc/92/62/37/932926237.db2.gz CDFNBEWKDXELJG-BULFRSBZSA-N 2 2 420.667 4.405 20 0 HIADLP CCc1cccc2c(CC(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535849425 933429787 /nfs/dbraw/zinc/42/97/87/933429787.db2.gz AZJMKPBXVAPGAF-DNQXCXABSA-N 2 2 424.633 4.068 20 0 HIADLP CCc1cccc2c(CC(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535849425 933429816 /nfs/dbraw/zinc/42/98/16/933429816.db2.gz AZJMKPBXVAPGAF-DNQXCXABSA-N 2 2 424.633 4.068 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000535849423 933430481 /nfs/dbraw/zinc/43/04/81/933430481.db2.gz AWEOSLHHYSBXDY-YUXAGFNASA-N 2 2 411.590 4.332 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000535849423 933430503 /nfs/dbraw/zinc/43/05/03/933430503.db2.gz AWEOSLHHYSBXDY-YUXAGFNASA-N 2 2 411.590 4.332 20 0 HIADLP Cc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849841 933431640 /nfs/dbraw/zinc/43/16/40/933431640.db2.gz USNCILDOMAYSKB-ZEQRLZLVSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849841 933431642 /nfs/dbraw/zinc/43/16/42/933431642.db2.gz USNCILDOMAYSKB-ZEQRLZLVSA-N 2 2 410.606 4.194 20 0 HIADLP CSCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000535850753 933434474 /nfs/dbraw/zinc/43/44/74/933434474.db2.gz MLSKRNKDBDFVBX-YADHBBJMSA-N 2 2 421.626 4.098 20 0 HIADLP CSCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000535850753 933434478 /nfs/dbraw/zinc/43/44/78/933434478.db2.gz MLSKRNKDBDFVBX-YADHBBJMSA-N 2 2 421.626 4.098 20 0 HIADLP CN(C(=O)c1ccc(OC2CCC2)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855819 933439609 /nfs/dbraw/zinc/43/96/09/933439609.db2.gz OQQCNDYKLHTPBI-BJKOFHAPSA-N 2 2 413.606 4.027 20 0 HIADLP CN(C(=O)c1ccc(OC2CCC2)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855819 933439613 /nfs/dbraw/zinc/43/96/13/933439613.db2.gz OQQCNDYKLHTPBI-BJKOFHAPSA-N 2 2 413.606 4.027 20 0 HIADLP CC(=O)N(c1nc(C[NH2+]CC2=CC[N@H+](C)CC2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000537345550 933727871 /nfs/dbraw/zinc/72/78/71/933727871.db2.gz NDNWSQAWSFIQBK-UHFFFAOYSA-N 2 2 424.492 4.198 20 0 HIADLP CC(=O)N(c1nc(C[NH2+]CC2=CC[N@@H+](C)CC2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000537345550 933727875 /nfs/dbraw/zinc/72/78/75/933727875.db2.gz NDNWSQAWSFIQBK-UHFFFAOYSA-N 2 2 424.492 4.198 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000537357684 933734269 /nfs/dbraw/zinc/73/42/69/933734269.db2.gz LTTXNQGAWFIJQZ-KKSFZXQISA-N 2 2 408.373 4.405 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000537357684 933734281 /nfs/dbraw/zinc/73/42/81/933734281.db2.gz LTTXNQGAWFIJQZ-KKSFZXQISA-N 2 2 408.373 4.405 20 0 HIADLP COc1cccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1OC(C)C ZINC000537620557 938336300 /nfs/dbraw/zinc/33/63/00/938336300.db2.gz UMFNZJRNMGGJBN-UHFFFAOYSA-N 3 2 417.638 4.111 20 0 HIADLP COc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1OC(C)C ZINC000537620557 938336301 /nfs/dbraw/zinc/33/63/01/938336301.db2.gz UMFNZJRNMGGJBN-UHFFFAOYSA-N 3 2 417.638 4.111 20 0 HIADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000537631831 938341340 /nfs/dbraw/zinc/34/13/40/938341340.db2.gz YUZLXMVHYHUZNH-UHFFFAOYSA-N 2 2 423.420 4.456 20 0 HIADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000537631831 938341344 /nfs/dbraw/zinc/34/13/44/938341344.db2.gz YUZLXMVHYHUZNH-UHFFFAOYSA-N 2 2 423.420 4.456 20 0 HIADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000537747044 938368218 /nfs/dbraw/zinc/36/82/18/938368218.db2.gz AABBTOVEGSLSBC-UHFFFAOYSA-N 3 2 415.025 4.223 20 0 HIADLP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2cccnc2)no1 ZINC000563286885 945168745 /nfs/dbraw/zinc/16/87/45/945168745.db2.gz YNXZPFSAZDWCKY-BWAGFHJFSA-N 2 2 405.546 4.329 20 0 HIADLP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2cccnc2)no1 ZINC000563286885 945168751 /nfs/dbraw/zinc/16/87/51/945168751.db2.gz YNXZPFSAZDWCKY-BWAGFHJFSA-N 2 2 405.546 4.329 20 0 HIADLP CN1CC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537945758 938427711 /nfs/dbraw/zinc/42/77/11/938427711.db2.gz YBOSHVNPAUSDBM-JTSKRJEESA-N 2 2 402.945 4.126 20 0 HIADLP CCCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538338842 938596972 /nfs/dbraw/zinc/59/69/72/938596972.db2.gz FXNKBWZFTXXIJY-PKTZIBPZSA-N 2 2 400.611 4.440 20 0 HIADLP CCCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538338842 938596975 /nfs/dbraw/zinc/59/69/75/938596975.db2.gz FXNKBWZFTXXIJY-PKTZIBPZSA-N 2 2 400.611 4.440 20 0 HIADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000538346461 938599559 /nfs/dbraw/zinc/59/95/59/938599559.db2.gz SAEYKKFPPARGAB-KRWDZBQOSA-N 2 2 405.477 4.487 20 0 HIADLP O=C1[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538468046 938628925 /nfs/dbraw/zinc/62/89/25/938628925.db2.gz RULASWFDRQQHPS-CTNGQTDRSA-N 2 2 423.523 4.004 20 0 HIADLP O=C1[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538468046 938628930 /nfs/dbraw/zinc/62/89/30/938628930.db2.gz RULASWFDRQQHPS-CTNGQTDRSA-N 2 2 423.523 4.004 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(F)cc1C(F)(F)F ZINC000538724121 938692255 /nfs/dbraw/zinc/69/22/55/938692255.db2.gz TVFBWTRCBKYDDS-UHFFFAOYSA-N 3 2 415.519 4.473 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(F)cc1C(F)(F)F ZINC000538724121 938692256 /nfs/dbraw/zinc/69/22/56/938692256.db2.gz TVFBWTRCBKYDDS-UHFFFAOYSA-N 3 2 415.519 4.473 20 0 HIADLP c1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799529 938715613 /nfs/dbraw/zinc/71/56/13/938715613.db2.gz JTWVTYQPKJPYGD-PXDATVDWSA-N 2 2 413.569 4.383 20 0 HIADLP c1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799529 938715617 /nfs/dbraw/zinc/71/56/17/938715617.db2.gz JTWVTYQPKJPYGD-PXDATVDWSA-N 2 2 413.569 4.383 20 0 HIADLP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799529 938715620 /nfs/dbraw/zinc/71/56/20/938715620.db2.gz JTWVTYQPKJPYGD-PXDATVDWSA-N 2 2 413.569 4.383 20 0 HIADLP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799529 938715623 /nfs/dbraw/zinc/71/56/23/938715623.db2.gz JTWVTYQPKJPYGD-PXDATVDWSA-N 2 2 413.569 4.383 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000539085283 938799881 /nfs/dbraw/zinc/79/98/81/938799881.db2.gz WKXRXXZCZLBQGC-GHTZIAJQSA-N 2 2 407.587 4.033 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000539085283 938799887 /nfs/dbraw/zinc/79/98/87/938799887.db2.gz WKXRXXZCZLBQGC-GHTZIAJQSA-N 2 2 407.587 4.033 20 0 HIADLP COc1cc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)ccc1OC(F)F ZINC000539658179 938895305 /nfs/dbraw/zinc/89/53/05/938895305.db2.gz RWMHINBOKJDZGK-WMLDXEAASA-N 2 2 406.477 4.005 20 0 HIADLP CC[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539822137 938944833 /nfs/dbraw/zinc/94/48/33/938944833.db2.gz IFVGDZMCDOQFTG-UHFFFAOYSA-N 2 2 403.954 4.491 20 0 HIADLP CC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539822137 938944841 /nfs/dbraw/zinc/94/48/41/938944841.db2.gz IFVGDZMCDOQFTG-UHFFFAOYSA-N 2 2 403.954 4.491 20 0 HIADLP CC[N@H+](Cc1cnc2nc(C)cc(C)n12)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539830074 938949636 /nfs/dbraw/zinc/94/96/36/938949636.db2.gz OEFMTRUVRCEIAW-UHFFFAOYSA-N 2 2 421.593 4.059 20 0 HIADLP CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539830074 938949641 /nfs/dbraw/zinc/94/96/41/938949641.db2.gz OEFMTRUVRCEIAW-UHFFFAOYSA-N 2 2 421.593 4.059 20 0 HIADLP COc1c(Br)cc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000539835048 938953266 /nfs/dbraw/zinc/95/32/66/938953266.db2.gz RKRVOUKTRBRXPE-FZMZJTMJSA-N 2 2 420.189 4.135 20 0 HIADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000539835048 938953269 /nfs/dbraw/zinc/95/32/69/938953269.db2.gz RKRVOUKTRBRXPE-FZMZJTMJSA-N 2 2 420.189 4.135 20 0 HIADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000539835048 938953273 /nfs/dbraw/zinc/95/32/73/938953273.db2.gz RKRVOUKTRBRXPE-FZMZJTMJSA-N 2 2 420.189 4.135 20 0 HIADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000539835048 938953277 /nfs/dbraw/zinc/95/32/77/938953277.db2.gz RKRVOUKTRBRXPE-FZMZJTMJSA-N 2 2 420.189 4.135 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(OC3CCCC3)nc2)CC1 ZINC000539953683 938981003 /nfs/dbraw/zinc/98/10/03/938981003.db2.gz OUUUPNGVVTTZRL-UHFFFAOYSA-N 2 2 414.981 4.098 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000563575797 945222793 /nfs/dbraw/zinc/22/27/93/945222793.db2.gz OASMZROZAYCWCK-UHFFFAOYSA-N 3 2 413.528 4.039 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000563575797 945222805 /nfs/dbraw/zinc/22/28/05/945222805.db2.gz OASMZROZAYCWCK-UHFFFAOYSA-N 3 2 413.528 4.039 20 0 HIADLP COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000540150626 939092877 /nfs/dbraw/zinc/09/28/77/939092877.db2.gz IARZIKSVYTYOCR-KBMIEXCESA-N 2 2 405.542 4.471 20 0 HIADLP COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000540150628 939093014 /nfs/dbraw/zinc/09/30/14/939093014.db2.gz IARZIKSVYTYOCR-UQBPGWFLSA-N 2 2 405.542 4.471 20 0 HIADLP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540192732 939117709 /nfs/dbraw/zinc/11/77/09/939117709.db2.gz OJJDXTRBBKHXEW-QFIPXVFZSA-N 3 2 403.574 4.125 20 0 HIADLP O=C(C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1)Nc1ccccc1F ZINC000540548136 939301188 /nfs/dbraw/zinc/30/11/88/939301188.db2.gz BVAUSJDKWULRLH-UHFFFAOYSA-N 2 2 400.885 4.207 20 0 HIADLP O=C(C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1)Nc1ccccc1F ZINC000540548136 939301191 /nfs/dbraw/zinc/30/11/91/939301191.db2.gz BVAUSJDKWULRLH-UHFFFAOYSA-N 2 2 400.885 4.207 20 0 HIADLP CC(C)[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc2ccccc2o1 ZINC000540651212 939331281 /nfs/dbraw/zinc/33/12/81/939331281.db2.gz PERSZLZDAIBKHB-DEOSSOPVSA-N 2 2 405.542 4.307 20 0 HIADLP Cc1cc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1Br ZINC000541203215 939485399 /nfs/dbraw/zinc/48/53/99/939485399.db2.gz WYWCDGRUYIPJKM-UHFFFAOYSA-N 2 2 419.367 4.085 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1C ZINC000541244905 939487328 /nfs/dbraw/zinc/48/73/28/939487328.db2.gz CPENPTOJRKYQMZ-LEWJYISDSA-N 2 2 406.014 4.366 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1C ZINC000541244905 939487329 /nfs/dbraw/zinc/48/73/29/939487329.db2.gz CPENPTOJRKYQMZ-LEWJYISDSA-N 2 2 406.014 4.366 20 0 HIADLP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541252235 939487747 /nfs/dbraw/zinc/48/77/47/939487747.db2.gz ILALBKJYPPSEAG-QHCPKHFHSA-N 2 2 412.553 4.096 20 0 HIADLP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541252235 939487748 /nfs/dbraw/zinc/48/77/48/939487748.db2.gz ILALBKJYPPSEAG-QHCPKHFHSA-N 2 2 412.553 4.096 20 0 HIADLP Brc1ccccc1N1CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000541386860 939503083 /nfs/dbraw/zinc/50/30/83/939503083.db2.gz MFCJUVOPHZJEQA-CQSZACIVSA-N 2 2 403.349 4.065 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)c2)cc[nH+]1 ZINC000541665409 939595579 /nfs/dbraw/zinc/59/55/79/939595579.db2.gz LLHXSIZSWOZBFS-GOSISDBHSA-N 2 2 417.557 4.256 20 0 HIADLP CC(C)[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000541913409 939651789 /nfs/dbraw/zinc/65/17/89/939651789.db2.gz JOPPFPKGECHJPI-HSZRJFAPSA-N 2 2 404.501 4.163 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000541908900 939651922 /nfs/dbraw/zinc/65/19/22/939651922.db2.gz OGWKRTWQAWFSHO-MRXNPFEDSA-N 2 2 405.384 4.142 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000541908900 939651924 /nfs/dbraw/zinc/65/19/24/939651924.db2.gz OGWKRTWQAWFSHO-MRXNPFEDSA-N 2 2 405.384 4.142 20 0 HIADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542328827 939801493 /nfs/dbraw/zinc/80/14/93/939801493.db2.gz MJIGJKPXGFDTGT-XZOQPEGZSA-N 2 2 420.601 4.274 20 0 HIADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542328827 939801494 /nfs/dbraw/zinc/80/14/94/939801494.db2.gz MJIGJKPXGFDTGT-XZOQPEGZSA-N 2 2 420.601 4.274 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000542667248 939852719 /nfs/dbraw/zinc/85/27/19/939852719.db2.gz HGKJRRJOQBKWII-AKIFATBCSA-N 2 2 406.636 4.038 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000542667248 939852720 /nfs/dbraw/zinc/85/27/20/939852720.db2.gz HGKJRRJOQBKWII-AKIFATBCSA-N 2 2 406.636 4.038 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC000542886126 939865294 /nfs/dbraw/zinc/86/52/94/939865294.db2.gz RWNWJNMLTNNJPP-OAHLLOKOSA-N 2 2 417.538 4.254 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000543036061 939899797 /nfs/dbraw/zinc/89/97/97/939899797.db2.gz MDROYYJPQQRMOP-QHCPKHFHSA-N 2 2 411.594 4.168 20 0 HIADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543059843 939914216 /nfs/dbraw/zinc/91/42/16/939914216.db2.gz IZLRCOWKNMDENE-INIZCTEOSA-N 2 2 406.477 4.004 20 0 HIADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543063287 939916121 /nfs/dbraw/zinc/91/61/21/939916121.db2.gz OWWVYLAHZOLOCH-INIZCTEOSA-N 2 2 419.367 4.165 20 0 HIADLP C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543109448 939950313 /nfs/dbraw/zinc/95/03/13/939950313.db2.gz UCWDOFFTQIMJQL-LEOXJPRUSA-N 2 2 420.041 4.314 20 0 HIADLP C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543109448 939950314 /nfs/dbraw/zinc/95/03/14/939950314.db2.gz UCWDOFFTQIMJQL-LEOXJPRUSA-N 2 2 420.041 4.314 20 0 HIADLP C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000543139431 939966812 /nfs/dbraw/zinc/96/68/12/939966812.db2.gz CEXDQVUYBKCOEP-HXUWFJFHSA-N 2 2 422.491 4.042 20 0 HIADLP C[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000543139431 939966817 /nfs/dbraw/zinc/96/68/17/939966817.db2.gz CEXDQVUYBKCOEP-HXUWFJFHSA-N 2 2 422.491 4.042 20 0 HIADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccccc2)c1 ZINC000543231073 940002986 /nfs/dbraw/zinc/00/29/86/940002986.db2.gz KPHLFNUTGOCPAA-QFIPXVFZSA-N 2 2 423.563 4.217 20 0 HIADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Br)c1OC ZINC000543459916 940070091 /nfs/dbraw/zinc/07/00/91/940070091.db2.gz GSSXXCKKQPYJMB-ZBFHGGJFSA-N 2 2 411.384 4.209 20 0 HIADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Br)c1OC ZINC000543459916 940070095 /nfs/dbraw/zinc/07/00/95/940070095.db2.gz GSSXXCKKQPYJMB-ZBFHGGJFSA-N 2 2 411.384 4.209 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000543591152 940122927 /nfs/dbraw/zinc/12/29/27/940122927.db2.gz DNTZKRZCMSNKHW-DNQXCXABSA-N 2 2 418.647 4.467 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000543653837 940151260 /nfs/dbraw/zinc/15/12/60/940151260.db2.gz UWRQMLYFTCAQDV-QGZVFWFLSA-N 2 2 421.006 4.408 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000543653837 940151262 /nfs/dbraw/zinc/15/12/62/940151262.db2.gz UWRQMLYFTCAQDV-QGZVFWFLSA-N 2 2 421.006 4.408 20 0 HIADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543987820 940283660 /nfs/dbraw/zinc/28/36/60/940283660.db2.gz JPODEXXBFUHMBW-QGZVFWFLSA-N 2 2 420.960 4.215 20 0 HIADLP C[C@@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc2ccccc2c1 ZINC000543990180 940286804 /nfs/dbraw/zinc/28/68/04/940286804.db2.gz UOVBCKPPGQGVJV-HXUWFJFHSA-N 2 2 404.558 4.406 20 0 HIADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544204795 940353072 /nfs/dbraw/zinc/35/30/72/940353072.db2.gz ARCUXXBXKNIBJH-IFMALSPDSA-N 2 2 424.589 4.430 20 0 HIADLP C[C@@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000544278102 940377223 /nfs/dbraw/zinc/37/72/23/940377223.db2.gz LZJXKSJCWWLBGJ-YKSBVNFPSA-N 2 2 402.542 4.238 20 0 HIADLP C[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000544278102 940377227 /nfs/dbraw/zinc/37/72/27/940377227.db2.gz LZJXKSJCWWLBGJ-YKSBVNFPSA-N 2 2 402.542 4.238 20 0 HIADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000544386202 940408222 /nfs/dbraw/zinc/40/82/22/940408222.db2.gz RLDNCRYAZVEXET-ZCYQVOJMSA-N 2 2 405.517 4.057 20 0 HIADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000544386202 940408225 /nfs/dbraw/zinc/40/82/25/940408225.db2.gz RLDNCRYAZVEXET-ZCYQVOJMSA-N 2 2 405.517 4.057 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000544579225 940483663 /nfs/dbraw/zinc/48/36/63/940483663.db2.gz NRPQKPRVAYHJGT-BJKOFHAPSA-N 2 2 423.582 4.115 20 0 HIADLP CN(C)c1cc[nH+]cc1CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000544707255 940505173 /nfs/dbraw/zinc/50/51/73/940505173.db2.gz HQVLSDZMMTTXFF-DYESRHJHSA-N 2 2 406.496 4.339 20 0 HIADLP CN(C)c1cc[nH+]cc1CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000544707255 940505174 /nfs/dbraw/zinc/50/51/74/940505174.db2.gz HQVLSDZMMTTXFF-DYESRHJHSA-N 2 2 406.496 4.339 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccc(C)cc2)c2ccc(OC)cc2)CC1 ZINC000545913071 940656995 /nfs/dbraw/zinc/65/69/95/940656995.db2.gz PCYACWXVPCLIAY-RUZDIDTESA-N 2 2 410.558 4.100 20 0 HIADLP Cc1cc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000546746812 940875506 /nfs/dbraw/zinc/87/55/06/940875506.db2.gz LTPKXQFXQHZYPG-FCHUYYIVSA-N 2 2 421.029 4.127 20 0 HIADLP Cc1cc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000546746812 940875508 /nfs/dbraw/zinc/87/55/08/940875508.db2.gz LTPKXQFXQHZYPG-FCHUYYIVSA-N 2 2 421.029 4.127 20 0 HIADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000548477712 941107158 /nfs/dbraw/zinc/10/71/58/941107158.db2.gz YBHBMUZLMZYRIP-UHFFFAOYSA-N 2 2 403.364 4.254 20 0 HIADLP CC[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000549750131 941206407 /nfs/dbraw/zinc/20/64/07/941206407.db2.gz WXAGSNNOTCSPMQ-MZLICYQSSA-N 2 2 409.574 4.145 20 0 HIADLP CC[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000549750131 941206408 /nfs/dbraw/zinc/20/64/08/941206408.db2.gz WXAGSNNOTCSPMQ-MZLICYQSSA-N 2 2 409.574 4.145 20 0 HIADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000549817695 941208376 /nfs/dbraw/zinc/20/83/76/941208376.db2.gz XIUAEPGLJYLHTJ-SVUBNXHSSA-N 2 2 404.517 4.283 20 0 HIADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000549817694 941208401 /nfs/dbraw/zinc/20/84/01/941208401.db2.gz XIUAEPGLJYLHTJ-FLODPWGTSA-N 2 2 404.517 4.283 20 0 HIADLP c1[nH]c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)nc1-c1ccccc1 ZINC000550262407 941305002 /nfs/dbraw/zinc/30/50/02/941305002.db2.gz GBIVSSZKGGZJLH-HSZRJFAPSA-N 2 2 416.569 4.095 20 0 HIADLP c1[nH]c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)nc1-c1ccccc1 ZINC000550262407 941305008 /nfs/dbraw/zinc/30/50/08/941305008.db2.gz GBIVSSZKGGZJLH-HSZRJFAPSA-N 2 2 416.569 4.095 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4sc(Br)cc43)[nH+]c2)C1 ZINC000550760148 941363943 /nfs/dbraw/zinc/36/39/43/941363943.db2.gz TUWGKDBDQKXPMB-DZGCQCFKSA-N 2 2 407.381 4.145 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000550996517 941392330 /nfs/dbraw/zinc/39/23/30/941392330.db2.gz QMLVYWZZCKVMQM-ZEZQGNGESA-N 3 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000550996517 941392333 /nfs/dbraw/zinc/39/23/33/941392333.db2.gz QMLVYWZZCKVMQM-ZEZQGNGESA-N 3 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H](c4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000550996517 941392335 /nfs/dbraw/zinc/39/23/35/941392335.db2.gz QMLVYWZZCKVMQM-ZEZQGNGESA-N 2 2 407.602 4.221 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552199116 941600344 /nfs/dbraw/zinc/60/03/44/941600344.db2.gz NJTOLHVXCLMRLL-UHFFFAOYSA-N 2 2 414.553 4.060 20 0 HIADLP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)CC1 ZINC000552337015 941637436 /nfs/dbraw/zinc/63/74/36/941637436.db2.gz MSEXXAZKMPTCFW-LJQANCHMSA-N 2 2 422.411 4.025 20 0 HIADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC1CCCC1 ZINC000552536524 941700372 /nfs/dbraw/zinc/70/03/72/941700372.db2.gz IGXSXSSAHBNHKE-WMZHIEFXSA-N 2 2 409.574 4.412 20 0 HIADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC1CCCC1 ZINC000552536524 941700380 /nfs/dbraw/zinc/70/03/80/941700380.db2.gz IGXSXSSAHBNHKE-WMZHIEFXSA-N 2 2 409.574 4.412 20 0 HIADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000552536439 941700577 /nfs/dbraw/zinc/70/05/77/941700577.db2.gz FLZLAVLZVWJZSL-CPJSRVTESA-N 2 2 403.574 4.009 20 0 HIADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000552536439 941700584 /nfs/dbraw/zinc/70/05/84/941700584.db2.gz FLZLAVLZVWJZSL-CPJSRVTESA-N 2 2 403.574 4.009 20 0 HIADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553497731 941896423 /nfs/dbraw/zinc/89/64/23/941896423.db2.gz HGLFZSONWPWYKO-UPVQGACJSA-N 2 2 416.569 4.302 20 0 HIADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553497731 941896425 /nfs/dbraw/zinc/89/64/25/941896425.db2.gz HGLFZSONWPWYKO-UPVQGACJSA-N 2 2 416.569 4.302 20 0 HIADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+](C)C ZINC000554441575 942144205 /nfs/dbraw/zinc/14/42/05/942144205.db2.gz YSDGLFRZOPLRLQ-WMZHIEFXSA-N 2 2 421.545 4.083 20 0 HIADLP C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000555608444 942667976 /nfs/dbraw/zinc/66/79/76/942667976.db2.gz MCODJSXCQSDAGH-CPJSRVTESA-N 2 2 423.576 4.174 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1=O ZINC000556224628 942821513 /nfs/dbraw/zinc/82/15/13/942821513.db2.gz OVHJBTUNTZDUQG-YKBLPDKLSA-N 2 2 409.549 4.303 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1=O ZINC000556224628 942821518 /nfs/dbraw/zinc/82/15/18/942821518.db2.gz OVHJBTUNTZDUQG-YKBLPDKLSA-N 2 2 409.549 4.303 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1=O ZINC000556241778 942824804 /nfs/dbraw/zinc/82/48/04/942824804.db2.gz SBWNLXJNKRLGDD-IBURTVSXSA-N 2 2 409.549 4.303 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1=O ZINC000556241778 942824806 /nfs/dbraw/zinc/82/48/06/942824806.db2.gz SBWNLXJNKRLGDD-IBURTVSXSA-N 2 2 409.549 4.303 20 0 HIADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000556499149 942885856 /nfs/dbraw/zinc/88/58/56/942885856.db2.gz AARMUDJQAQHXAT-GVAUOCQISA-N 2 2 412.549 4.269 20 0 HIADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000556499149 942885860 /nfs/dbraw/zinc/88/58/60/942885860.db2.gz AARMUDJQAQHXAT-GVAUOCQISA-N 2 2 412.549 4.269 20 0 HIADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000556499149 942885861 /nfs/dbraw/zinc/88/58/61/942885861.db2.gz AARMUDJQAQHXAT-GVAUOCQISA-N 2 2 412.549 4.269 20 0 HIADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000556499149 942885865 /nfs/dbraw/zinc/88/58/65/942885865.db2.gz AARMUDJQAQHXAT-GVAUOCQISA-N 2 2 412.549 4.269 20 0 HIADLP COC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(Cl)c1F ZINC000557453410 943136728 /nfs/dbraw/zinc/13/67/28/943136728.db2.gz YXPBMSQKKBIMNX-IBGZPJMESA-N 2 2 406.933 4.204 20 0 HIADLP Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c(C)s1 ZINC000557521108 943187863 /nfs/dbraw/zinc/18/78/63/943187863.db2.gz LQOSMCVUTJSJOP-OAHLLOKOSA-N 2 2 406.621 4.343 20 0 HIADLP C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000558722287 943632728 /nfs/dbraw/zinc/63/27/28/943632728.db2.gz ASRSEGADLFGGOX-QGZVFWFLSA-N 2 2 418.582 4.230 20 0 HIADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000561457203 944612370 /nfs/dbraw/zinc/61/23/70/944612370.db2.gz CGHDJPHLIAOWSD-HXUWFJFHSA-N 2 2 412.578 4.067 20 0 HIADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000561457203 944612377 /nfs/dbraw/zinc/61/23/77/944612377.db2.gz CGHDJPHLIAOWSD-HXUWFJFHSA-N 2 2 412.578 4.067 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000562061433 944917578 /nfs/dbraw/zinc/91/75/78/944917578.db2.gz MRKKEMKGKAHEOM-CEWLAPEOSA-N 2 2 409.599 4.189 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000562061433 944917588 /nfs/dbraw/zinc/91/75/88/944917588.db2.gz MRKKEMKGKAHEOM-CEWLAPEOSA-N 2 2 409.599 4.189 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000562061433 944917598 /nfs/dbraw/zinc/91/75/98/944917598.db2.gz MRKKEMKGKAHEOM-CEWLAPEOSA-N 2 2 409.599 4.189 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000562061433 944917618 /nfs/dbraw/zinc/91/76/18/944917618.db2.gz MRKKEMKGKAHEOM-CEWLAPEOSA-N 2 2 409.599 4.189 20 0 HIADLP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccc(F)cc1 ZINC000566523309 946028872 /nfs/dbraw/zinc/02/88/72/946028872.db2.gz NJSDCAXDNIDFBC-DENIHFKCSA-N 2 2 412.553 4.051 20 0 HIADLP Cc1cc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)ccc1-n1cncn1 ZINC000567085827 946238309 /nfs/dbraw/zinc/23/83/09/946238309.db2.gz LMGVTJRMAHHWKU-UHFFFAOYSA-N 2 2 406.921 4.128 20 0 HIADLP Cc1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)ccc1-n1cncn1 ZINC000567085827 946238322 /nfs/dbraw/zinc/23/83/22/946238322.db2.gz LMGVTJRMAHHWKU-UHFFFAOYSA-N 2 2 406.921 4.128 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](c3ccc(F)cc3)c3cccnc3)[nH+]c2)CC1 ZINC000567310310 946306881 /nfs/dbraw/zinc/30/68/81/946306881.db2.gz MTDFSYQZMMBKHN-DEOSSOPVSA-N 2 2 405.521 4.348 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)c(OC)cc1Br ZINC000569273465 946846898 /nfs/dbraw/zinc/84/68/98/946846898.db2.gz UDFOXIUCYTXXRV-UHFFFAOYSA-N 2 2 410.356 4.137 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1Br ZINC000569273465 946846899 /nfs/dbraw/zinc/84/68/99/946846899.db2.gz UDFOXIUCYTXXRV-UHFFFAOYSA-N 2 2 410.356 4.137 20 0 HIADLP Cc1cc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c2cccc(Cl)c2)c(C)s1 ZINC000571724250 947765125 /nfs/dbraw/zinc/76/51/25/947765125.db2.gz BIIIUVRPBKOTEX-UXHICEINSA-N 2 2 405.995 4.037 20 0 HIADLP Cc1cc([C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c2cccc(Cl)c2)c(C)s1 ZINC000571724250 947765131 /nfs/dbraw/zinc/76/51/31/947765131.db2.gz BIIIUVRPBKOTEX-UXHICEINSA-N 2 2 405.995 4.037 20 0 HIADLP c1ccc(CCOC2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000571903412 947809060 /nfs/dbraw/zinc/80/90/60/947809060.db2.gz SYMFWXUMKYKLST-AREMUKBSSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCOC2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000571903412 947809064 /nfs/dbraw/zinc/80/90/64/947809064.db2.gz SYMFWXUMKYKLST-AREMUKBSSA-N 2 2 408.586 4.001 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323777 947885249 /nfs/dbraw/zinc/88/52/49/947885249.db2.gz ZAAQEQCKZRVOAN-IPMKNSEASA-N 2 2 417.594 4.215 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323777 947885251 /nfs/dbraw/zinc/88/52/51/947885251.db2.gz ZAAQEQCKZRVOAN-IPMKNSEASA-N 2 2 417.594 4.215 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323777 947885259 /nfs/dbraw/zinc/88/52/59/947885259.db2.gz ZAAQEQCKZRVOAN-IPMKNSEASA-N 2 2 417.594 4.215 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323777 947885260 /nfs/dbraw/zinc/88/52/60/947885260.db2.gz ZAAQEQCKZRVOAN-IPMKNSEASA-N 2 2 417.594 4.215 20 0 HIADLP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000572860109 948022978 /nfs/dbraw/zinc/02/29/78/948022978.db2.gz IGWSWHCPRMSQPP-ZLNRFVROSA-N 2 2 400.950 4.051 20 0 HIADLP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000572860109 948022984 /nfs/dbraw/zinc/02/29/84/948022984.db2.gz IGWSWHCPRMSQPP-ZLNRFVROSA-N 2 2 400.950 4.051 20 0 HIADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH+]c2c1 ZINC001164834678 720566201 /nfs/dbraw/zinc/56/62/01/720566201.db2.gz FRKKJKWSSUPHBZ-JXALWOEJSA-N 2 2 419.573 4.126 20 0 HIADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH+]c2c1 ZINC001164834678 720566208 /nfs/dbraw/zinc/56/62/08/720566208.db2.gz FRKKJKWSSUPHBZ-JXALWOEJSA-N 2 2 419.573 4.126 20 0 HIADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001164835230 720589816 /nfs/dbraw/zinc/58/98/16/720589816.db2.gz AQIMCIDJQAEXJO-WMTXJRDZSA-N 2 2 422.621 4.407 20 0 HIADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001164835230 720589826 /nfs/dbraw/zinc/58/98/26/720589826.db2.gz AQIMCIDJQAEXJO-WMTXJRDZSA-N 2 2 422.621 4.407 20 0 HIADLP CC(C)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c1 ZINC001164757449 720893383 /nfs/dbraw/zinc/89/33/83/720893383.db2.gz UTGUZOYVDNPHFY-AZGAKELHSA-N 2 2 420.601 4.355 20 0 HIADLP CC(C)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c1 ZINC001164757449 720893385 /nfs/dbraw/zinc/89/33/85/720893385.db2.gz UTGUZOYVDNPHFY-AZGAKELHSA-N 2 2 420.601 4.355 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc[nH+]1 ZINC001165029618 721818638 /nfs/dbraw/zinc/81/86/38/721818638.db2.gz ZVVZPGDDZGENKB-ACIOBRDBSA-N 2 2 422.621 4.235 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc[nH+]1 ZINC001165029618 721818640 /nfs/dbraw/zinc/81/86/40/721818640.db2.gz ZVVZPGDDZGENKB-ACIOBRDBSA-N 2 2 422.621 4.235 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]cn1 ZINC001165029618 721818641 /nfs/dbraw/zinc/81/86/41/721818641.db2.gz ZVVZPGDDZGENKB-ACIOBRDBSA-N 2 2 422.621 4.235 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]cn1 ZINC001165029618 721818643 /nfs/dbraw/zinc/81/86/43/721818643.db2.gz ZVVZPGDDZGENKB-ACIOBRDBSA-N 2 2 422.621 4.235 20 0 HIADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]cnc5c4ccn5C(C)C)CC3)C2)cc1 ZINC001164940725 721929627 /nfs/dbraw/zinc/92/96/27/721929627.db2.gz YWLXFKYFYJBOFJ-UHFFFAOYSA-N 2 2 419.573 4.192 20 0 HIADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]cnc5c4ccn5C(C)C)CC3)C2)cc1 ZINC001164940725 721929630 /nfs/dbraw/zinc/92/96/30/721929630.db2.gz YWLXFKYFYJBOFJ-UHFFFAOYSA-N 2 2 419.573 4.192 20 0 HIADLP COc1c(Br)cc(Br)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000017313692 846244353 /nfs/dbraw/zinc/24/43/53/846244353.db2.gz AOEYTZWUUTXZED-UHFFFAOYSA-N 2 2 420.189 4.183 20 0 HIADLP CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000026309245 847122827 /nfs/dbraw/zinc/12/28/27/847122827.db2.gz RKUOFSACVNGNCH-UHFFFAOYSA-N 2 2 401.514 4.313 20 0 HIADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038831777 848180791 /nfs/dbraw/zinc/18/07/91/848180791.db2.gz AXFWUWBQVXBIBY-UHFFFAOYSA-N 2 2 402.542 4.237 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000044533203 848566763 /nfs/dbraw/zinc/56/67/63/848566763.db2.gz WMBWWLUEEKUAFO-LBPRGKRZSA-N 2 2 420.189 4.042 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000044533203 848566765 /nfs/dbraw/zinc/56/67/65/848566765.db2.gz WMBWWLUEEKUAFO-LBPRGKRZSA-N 2 2 420.189 4.042 20 0 HIADLP CC1CC[NH+]([C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c2cccs2)CC1 ZINC000044867790 848610205 /nfs/dbraw/zinc/61/02/05/848610205.db2.gz QZXJPNHHHYGGBF-NRFANRHFSA-N 2 2 408.571 4.196 20 0 HIADLP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047295548 849021554 /nfs/dbraw/zinc/02/15/54/849021554.db2.gz GGCKAUVSHOZAFR-JOCHJYFZSA-N 2 2 408.933 4.152 20 0 HIADLP COc1cc(-c2nc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cs2)ccc1O ZINC000436779493 861970135 /nfs/dbraw/zinc/97/01/35/861970135.db2.gz XHQOEWKLNWOUAT-UHFFFAOYSA-N 2 2 412.559 4.413 20 0 HIADLP CC(C)c1ccc([C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000051759363 849513879 /nfs/dbraw/zinc/51/38/79/849513879.db2.gz SNWHYEZKTPDXHV-DEOSSOPVSA-N 2 2 414.638 4.365 20 0 HIADLP CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000051777717 849514372 /nfs/dbraw/zinc/51/43/72/849514372.db2.gz SWNDHLCHRBRURD-SFHVURJKSA-N 2 2 412.578 4.084 20 0 HIADLP COc1ccc(OCc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)cc1 ZINC000055058999 849965669 /nfs/dbraw/zinc/96/56/69/849965669.db2.gz QZYGZZGRZXGQCE-UHFFFAOYSA-N 2 2 401.576 4.039 20 0 HIADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058784286 850925595 /nfs/dbraw/zinc/92/55/95/850925595.db2.gz CSQOSXNIIVKIKD-XMMPIXPASA-N 2 2 423.626 4.079 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)cn1 ZINC000059369182 851001486 /nfs/dbraw/zinc/00/14/86/851001486.db2.gz YGPPJIDMQCQDGB-UHFFFAOYSA-N 2 2 423.261 4.229 20 0 HIADLP CCOc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1OCc1c(F)cccc1Cl ZINC000060831282 851226280 /nfs/dbraw/zinc/22/62/80/851226280.db2.gz DWWZTQCXJZMZNU-UHFFFAOYSA-N 2 2 403.885 4.443 20 0 HIADLP Ic1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062426664 851550892 /nfs/dbraw/zinc/55/08/92/851550892.db2.gz LKQHMUWZCUKAEA-SFHVURJKSA-N 2 2 420.338 4.293 20 0 HIADLP Ic1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062426664 851550902 /nfs/dbraw/zinc/55/09/02/851550902.db2.gz LKQHMUWZCUKAEA-SFHVURJKSA-N 2 2 420.338 4.293 20 0 HIADLP O=C(CC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000064637268 851944504 /nfs/dbraw/zinc/94/45/04/851944504.db2.gz VVASMXKIQWYIQS-XMMPIXPASA-N 2 2 414.553 4.111 20 0 HIADLP O=C(CC[N@H+]1CCC[C@@H]1c1cccc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000064637268 851944509 /nfs/dbraw/zinc/94/45/09/851944509.db2.gz VVASMXKIQWYIQS-XMMPIXPASA-N 2 2 414.553 4.111 20 0 HIADLP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000097593092 852640230 /nfs/dbraw/zinc/64/02/30/852640230.db2.gz UJWAMCBMUDEGCG-UHFFFAOYSA-N 2 2 401.917 4.409 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(CC[NH+](C)C)Cc3cccs3)n2)C1 ZINC000437202778 862392956 /nfs/dbraw/zinc/39/29/56/862392956.db2.gz XRTICOPUIXFMMU-MRXNPFEDSA-N 2 2 421.636 4.032 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CC[NH+](C)C)Cc3cccs3)n2)C1 ZINC000437202778 862392978 /nfs/dbraw/zinc/39/29/78/862392978.db2.gz XRTICOPUIXFMMU-MRXNPFEDSA-N 2 2 421.636 4.032 20 0 HIADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000236655410 853908272 /nfs/dbraw/zinc/90/82/72/853908272.db2.gz CUHVDRLFVPIJDN-UHFFFAOYSA-N 2 2 418.585 4.292 20 0 HIADLP CC(=O)N(c1nc(C[NH2+]CCCCn2cc[nH+]c2C)cs1)c1ccc(F)cc1 ZINC000236786825 853923686 /nfs/dbraw/zinc/92/36/86/853923686.db2.gz NXOUXZULJMXDCY-UHFFFAOYSA-N 2 2 401.511 4.042 20 0 HIADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000237101043 853965400 /nfs/dbraw/zinc/96/54/00/853965400.db2.gz FHPUPBLPTRRPEY-UHFFFAOYSA-N 2 2 410.509 4.081 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000237131283 853969572 /nfs/dbraw/zinc/96/95/72/853969572.db2.gz INUIMTDJHMLXAZ-CQSZACIVSA-N 2 2 416.884 4.180 20 0 HIADLP COc1cc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(Br)cc1O ZINC000237396553 854022297 /nfs/dbraw/zinc/02/22/97/854022297.db2.gz VLODNHIITPOKFC-CYBMUJFWSA-N 2 2 402.292 4.200 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000237544992 854052533 /nfs/dbraw/zinc/05/25/33/854052533.db2.gz MDLXJTBTHYCCCE-KRWDZBQOSA-N 2 2 410.493 4.201 20 0 HIADLP Cc1nc(COc2ccc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)cc2)cs1 ZINC000237665921 854072255 /nfs/dbraw/zinc/07/22/55/854072255.db2.gz UUDZGIHAGGHFBZ-UHFFFAOYSA-N 2 2 423.582 4.153 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)cn2c1 ZINC000303622348 855083722 /nfs/dbraw/zinc/08/37/22/855083722.db2.gz XELNCAOMXDCRFP-SFHVURJKSA-N 2 2 410.587 4.122 20 0 HIADLP COc1ccc(Br)c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000381350727 855430214 /nfs/dbraw/zinc/43/02/14/855430214.db2.gz MPKRXXPMHJBNJC-AEFFLSMTSA-N 2 2 403.364 4.458 20 0 HIADLP COc1ccc(Br)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381350727 855430220 /nfs/dbraw/zinc/43/02/20/855430220.db2.gz MPKRXXPMHJBNJC-AEFFLSMTSA-N 2 2 403.364 4.458 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426035737 856062240 /nfs/dbraw/zinc/06/22/40/856062240.db2.gz NOXDDVGXUNZJSB-JDBUVZGPSA-N 2 2 423.605 4.169 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426035737 856062251 /nfs/dbraw/zinc/06/22/51/856062251.db2.gz NOXDDVGXUNZJSB-JDBUVZGPSA-N 2 2 423.605 4.169 20 0 HIADLP C[C@H](CCCC(F)(F)F)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000426078619 856091722 /nfs/dbraw/zinc/09/17/22/856091722.db2.gz JZSYTLMDIGALSS-QRQLOZEOSA-N 2 2 420.564 4.086 20 0 HIADLP C[C@H](CCCC(F)(F)F)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000426078619 856091731 /nfs/dbraw/zinc/09/17/31/856091731.db2.gz JZSYTLMDIGALSS-QRQLOZEOSA-N 2 2 420.564 4.086 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccco1 ZINC000426316110 856241115 /nfs/dbraw/zinc/24/11/15/856241115.db2.gz BECVTXPHOBGMTG-QZNHQXDQSA-N 2 2 421.545 4.087 20 0 HIADLP Fc1ccccc1[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000427865886 856987320 /nfs/dbraw/zinc/98/73/20/856987320.db2.gz OGZGOKWSAKKHDP-JXFKEZNVSA-N 2 2 400.295 4.479 20 0 HIADLP C[C@@]1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCC[N@@H+]1Cc1ccccc1 ZINC000427892052 856996142 /nfs/dbraw/zinc/99/61/42/856996142.db2.gz FPWUKNJGYIKBHL-DOTRQFKVSA-N 2 2 403.570 4.463 20 0 HIADLP C[C@@]1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCC[N@H+]1Cc1ccccc1 ZINC000427892052 856996153 /nfs/dbraw/zinc/99/61/53/856996153.db2.gz FPWUKNJGYIKBHL-DOTRQFKVSA-N 2 2 403.570 4.463 20 0 HIADLP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000428546039 857255647 /nfs/dbraw/zinc/25/56/47/857255647.db2.gz KDCKWQJXIXREAG-HXUWFJFHSA-N 2 2 418.965 4.128 20 0 HIADLP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000428546039 857255655 /nfs/dbraw/zinc/25/56/55/857255655.db2.gz KDCKWQJXIXREAG-HXUWFJFHSA-N 2 2 418.965 4.128 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000429263268 857581963 /nfs/dbraw/zinc/58/19/63/857581963.db2.gz XSHJFJUGJKHYSG-RUZDIDTESA-N 2 2 402.391 4.272 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000429263268 857581972 /nfs/dbraw/zinc/58/19/72/857581972.db2.gz XSHJFJUGJKHYSG-RUZDIDTESA-N 2 2 402.391 4.272 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1cccc(C(F)(F)F)c1 ZINC000429507203 857704791 /nfs/dbraw/zinc/70/47/91/857704791.db2.gz YMEAXUYVBRYNSE-HXUWFJFHSA-N 2 2 422.495 4.280 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000429689639 857835690 /nfs/dbraw/zinc/83/56/90/857835690.db2.gz OXTPYMLYVPNJKX-UHFFFAOYSA-N 2 2 414.516 4.016 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000429689639 857835699 /nfs/dbraw/zinc/83/56/99/857835699.db2.gz OXTPYMLYVPNJKX-UHFFFAOYSA-N 2 2 414.516 4.016 20 0 HIADLP C[C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@@H+]1CCCC[C@H]1C ZINC000430160317 858058913 /nfs/dbraw/zinc/05/89/13/858058913.db2.gz JOFAJEPYDRDJNP-MOPGFXCFSA-N 2 2 417.985 4.011 20 0 HIADLP C[C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000430160317 858058923 /nfs/dbraw/zinc/05/89/23/858058923.db2.gz JOFAJEPYDRDJNP-MOPGFXCFSA-N 2 2 417.985 4.011 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000430197641 858078289 /nfs/dbraw/zinc/07/82/89/858078289.db2.gz VUKMHKMOLZUPGM-RUZDIDTESA-N 2 2 420.601 4.008 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000430197641 858078295 /nfs/dbraw/zinc/07/82/95/858078295.db2.gz VUKMHKMOLZUPGM-RUZDIDTESA-N 2 2 420.601 4.008 20 0 HIADLP COc1ccccc1-c1ncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000430221009 858086655 /nfs/dbraw/zinc/08/66/55/858086655.db2.gz BFTCZLBCBMXJOM-OAQYLSRUSA-N 2 2 402.542 4.106 20 0 HIADLP COc1ccccc1-c1ncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000430221009 858086661 /nfs/dbraw/zinc/08/66/61/858086661.db2.gz BFTCZLBCBMXJOM-OAQYLSRUSA-N 2 2 402.542 4.106 20 0 HIADLP COc1ccccc1-c1ncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000430221009 858086665 /nfs/dbraw/zinc/08/66/65/858086665.db2.gz BFTCZLBCBMXJOM-OAQYLSRUSA-N 2 2 402.542 4.106 20 0 HIADLP COc1ccccc1-c1ncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000430221009 858086670 /nfs/dbraw/zinc/08/66/70/858086670.db2.gz BFTCZLBCBMXJOM-OAQYLSRUSA-N 2 2 402.542 4.106 20 0 HIADLP CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000430828086 858319801 /nfs/dbraw/zinc/31/98/01/858319801.db2.gz RGLJPZGQGOXNOW-HSZRJFAPSA-N 2 2 419.569 4.355 20 0 HIADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000431788425 858811925 /nfs/dbraw/zinc/81/19/25/858811925.db2.gz ZSDLOYHEPDGQLK-UHFFFAOYSA-N 2 2 416.569 4.166 20 0 HIADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000432802863 859367607 /nfs/dbraw/zinc/36/76/07/859367607.db2.gz FDFHKFULUKHPQO-UHFFFAOYSA-N 2 2 417.956 4.000 20 0 HIADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000432802863 859367612 /nfs/dbraw/zinc/36/76/12/859367612.db2.gz FDFHKFULUKHPQO-UHFFFAOYSA-N 2 2 417.956 4.000 20 0 HIADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434180832 860173358 /nfs/dbraw/zinc/17/33/58/860173358.db2.gz CGRIOLYOBZIMGY-LJQANCHMSA-N 2 2 423.605 4.238 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)cccc1Sc1ccccc1 ZINC000467721222 881519534 /nfs/dbraw/zinc/51/95/34/881519534.db2.gz FNSVKTXZGUVIKE-UHFFFAOYSA-N 2 2 415.578 4.075 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)cccc1Sc1ccccc1 ZINC000467721222 881519543 /nfs/dbraw/zinc/51/95/43/881519543.db2.gz FNSVKTXZGUVIKE-UHFFFAOYSA-N 2 2 415.578 4.075 20 0 HIADLP C[C@@H](CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[N@H+](C)Cc1ccccc1 ZINC000434407024 860336671 /nfs/dbraw/zinc/33/66/71/860336671.db2.gz YORXPELXGYZLRW-FQEVSTJZSA-N 2 2 423.605 4.019 20 0 HIADLP C[C@@H](CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[N@@H+](C)Cc1ccccc1 ZINC000434407024 860336688 /nfs/dbraw/zinc/33/66/88/860336688.db2.gz YORXPELXGYZLRW-FQEVSTJZSA-N 2 2 423.605 4.019 20 0 HIADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H](C)c3nc(Cc4ccc(F)cc4)no3)C1)CCCC2 ZINC000434501922 860376356 /nfs/dbraw/zinc/37/63/56/860376356.db2.gz IFTRSKJTGMAVTH-HNAYVOBHSA-N 2 2 409.509 4.191 20 0 HIADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H](C)c3nc(Cc4ccc(F)cc4)no3)C1)CCCC2 ZINC000434501922 860376368 /nfs/dbraw/zinc/37/63/68/860376368.db2.gz IFTRSKJTGMAVTH-HNAYVOBHSA-N 2 2 409.509 4.191 20 0 HIADLP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434682737 860458551 /nfs/dbraw/zinc/45/85/51/860458551.db2.gz DFHDROYPDFVLRB-XXBNENTESA-N 2 2 408.590 4.445 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000434684275 860459603 /nfs/dbraw/zinc/45/96/03/860459603.db2.gz HUXYQSNYGZQHHL-VWLOTQADSA-N 2 2 420.601 4.447 20 0 HIADLP Brc1cc2c(cc1C[NH+]1CCC(c3[nH+]cc4n3CCCC4)CC1)OCO2 ZINC000434687765 860462017 /nfs/dbraw/zinc/46/20/17/860462017.db2.gz FWEARZWJSXDGGM-UHFFFAOYSA-N 2 2 418.335 4.090 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434746325 860479873 /nfs/dbraw/zinc/47/98/73/860479873.db2.gz MYUOHOOWWKYLJG-HNNXBMFYSA-N 2 2 416.953 4.088 20 0 HIADLP CCSCc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000438397705 863845994 /nfs/dbraw/zinc/84/59/94/863845994.db2.gz MFAHQIDXCGNIDF-UHFFFAOYSA-N 2 2 404.624 4.012 20 0 HIADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cccc(-c4ccncc4)c3)CC2)c1 ZINC000439479206 864846750 /nfs/dbraw/zinc/84/67/50/864846750.db2.gz QSLNBIBOTRLQLS-UHFFFAOYSA-N 2 2 400.570 4.359 20 0 HIADLP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000440087332 865350330 /nfs/dbraw/zinc/35/03/30/865350330.db2.gz KBQBAWHRXPQMSO-UHFFFAOYSA-N 2 2 419.573 4.080 20 0 HIADLP C[C@H](OC[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000440455185 865759396 /nfs/dbraw/zinc/75/93/96/865759396.db2.gz WDNBIHBHZWBBMP-CYFREDJKSA-N 2 2 416.993 4.375 20 0 HIADLP C[C@H](OC[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000440455185 865759408 /nfs/dbraw/zinc/75/94/08/865759408.db2.gz WDNBIHBHZWBBMP-CYFREDJKSA-N 2 2 416.993 4.375 20 0 HIADLP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000440759765 865894079 /nfs/dbraw/zinc/89/40/79/865894079.db2.gz CSSDSZKFSMNOMS-CQOQZXRMSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000440759765 865894080 /nfs/dbraw/zinc/89/40/80/865894080.db2.gz CSSDSZKFSMNOMS-CQOQZXRMSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccc(Oc2ccccc2)c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000441107491 866204744 /nfs/dbraw/zinc/20/47/44/866204744.db2.gz UJQHBMGAJMTPQY-UHFFFAOYSA-N 2 2 410.562 4.277 20 0 HIADLP Cc1ccc(Oc2ccccc2)c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000441107491 866204770 /nfs/dbraw/zinc/20/47/70/866204770.db2.gz UJQHBMGAJMTPQY-UHFFFAOYSA-N 2 2 410.562 4.277 20 0 HIADLP CC[N@H+](CCC(=O)N(C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000441237139 866313041 /nfs/dbraw/zinc/31/30/41/866313041.db2.gz WBPDHFBYVNRJKN-UHFFFAOYSA-N 2 2 423.605 4.252 20 0 HIADLP CC[N@@H+](CCC(=O)N(C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000441237139 866313061 /nfs/dbraw/zinc/31/30/61/866313061.db2.gz WBPDHFBYVNRJKN-UHFFFAOYSA-N 2 2 423.605 4.252 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCCC[C@@H]3/C=C\c3ccccc3)CC2)CC1 ZINC000441239694 866313852 /nfs/dbraw/zinc/31/38/52/866313852.db2.gz ARSKNADWGABPDM-OKFWSBNLSA-N 2 2 424.633 4.213 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)c(C)c1 ZINC000441364841 866433499 /nfs/dbraw/zinc/43/34/99/866433499.db2.gz NRHOZAREEGXIIS-NTKDMRAZSA-N 2 2 413.525 4.406 20 0 HIADLP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441374940 866443481 /nfs/dbraw/zinc/44/34/81/866443481.db2.gz IJNLYUITHMKUPZ-WMZHIEFXSA-N 2 2 406.530 4.257 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1Br ZINC000441414097 866488129 /nfs/dbraw/zinc/48/81/29/866488129.db2.gz RWVFCIBDGFCPAH-TWOQFEAHSA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1Br ZINC000441414097 866488139 /nfs/dbraw/zinc/48/81/39/866488139.db2.gz RWVFCIBDGFCPAH-TWOQFEAHSA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1Br ZINC000441414097 866488147 /nfs/dbraw/zinc/48/81/47/866488147.db2.gz RWVFCIBDGFCPAH-TWOQFEAHSA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1Br ZINC000441414097 866488156 /nfs/dbraw/zinc/48/81/56/866488156.db2.gz RWVFCIBDGFCPAH-TWOQFEAHSA-N 2 2 420.395 4.033 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416687 866492773 /nfs/dbraw/zinc/49/27/73/866492773.db2.gz DSXCRKXGSRHXDK-QUURXOELSA-N 2 2 413.581 4.122 20 0 HIADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416687 866492779 /nfs/dbraw/zinc/49/27/79/866492779.db2.gz DSXCRKXGSRHXDK-QUURXOELSA-N 2 2 413.581 4.122 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416687 866492785 /nfs/dbraw/zinc/49/27/85/866492785.db2.gz DSXCRKXGSRHXDK-QUURXOELSA-N 2 2 413.581 4.122 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416687 866492795 /nfs/dbraw/zinc/49/27/95/866492795.db2.gz DSXCRKXGSRHXDK-QUURXOELSA-N 2 2 413.581 4.122 20 0 HIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441911976 866977463 /nfs/dbraw/zinc/97/74/63/866977463.db2.gz RRBXEJVTMHUAIT-MRXNPFEDSA-N 2 2 403.368 4.070 20 0 HIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441911976 866977474 /nfs/dbraw/zinc/97/74/74/866977474.db2.gz RRBXEJVTMHUAIT-MRXNPFEDSA-N 2 2 403.368 4.070 20 0 HIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000441935287 866999056 /nfs/dbraw/zinc/99/90/56/866999056.db2.gz RXKIAEVMIMXEAD-HNAYVOBHSA-N 2 2 403.368 4.211 20 0 HIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000441935287 866999068 /nfs/dbraw/zinc/99/90/68/866999068.db2.gz RXKIAEVMIMXEAD-HNAYVOBHSA-N 2 2 403.368 4.211 20 0 HIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000441935287 866999073 /nfs/dbraw/zinc/99/90/73/866999073.db2.gz RXKIAEVMIMXEAD-HNAYVOBHSA-N 2 2 403.368 4.211 20 0 HIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000441935287 866999087 /nfs/dbraw/zinc/99/90/87/866999087.db2.gz RXKIAEVMIMXEAD-HNAYVOBHSA-N 2 2 403.368 4.211 20 0 HIADLP O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000443105983 867820322 /nfs/dbraw/zinc/82/03/22/867820322.db2.gz QPFGEJARXLFOPL-AREMUKBSSA-N 2 2 413.565 4.491 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[NH+]2CCCC2)o1 ZINC000444593685 868894869 /nfs/dbraw/zinc/89/48/69/868894869.db2.gz RGZDEXGFKLCUGC-XMSQKQJNSA-N 2 2 421.545 4.279 20 0 HIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000444663728 868941240 /nfs/dbraw/zinc/94/12/40/868941240.db2.gz LBORUBQPTVDZOW-HXUWFJFHSA-N 2 2 400.485 4.145 20 0 HIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000444663728 868941251 /nfs/dbraw/zinc/94/12/51/868941251.db2.gz LBORUBQPTVDZOW-HXUWFJFHSA-N 2 2 400.485 4.145 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444799819 869016013 /nfs/dbraw/zinc/01/60/13/869016013.db2.gz IHIFNBAZUOMOJI-NFBKMPQASA-N 2 2 418.541 4.297 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444799819 869016027 /nfs/dbraw/zinc/01/60/27/869016027.db2.gz IHIFNBAZUOMOJI-NFBKMPQASA-N 2 2 418.541 4.297 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Br)cc1F ZINC000446757341 870670844 /nfs/dbraw/zinc/67/08/44/870670844.db2.gz APOIVMYUFRJKFC-OAHLLOKOSA-N 2 2 407.327 4.271 20 0 HIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)cc1F ZINC000446937767 870848408 /nfs/dbraw/zinc/84/84/08/870848408.db2.gz SWBGJEDBLLHRHO-BBRMVZONSA-N 2 2 407.331 4.297 20 0 HIADLP COc1ccccc1[C@H]1CCC[NH+]1CC(O)C[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000447349052 871251751 /nfs/dbraw/zinc/25/17/51/871251751.db2.gz UUDKMQGYTDJSNQ-DHIUTWEWSA-N 2 2 410.558 4.039 20 0 HIADLP COc1ccccc1[C@H]1CCC[NH+]1CC(O)C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000447349052 871251778 /nfs/dbraw/zinc/25/17/78/871251778.db2.gz UUDKMQGYTDJSNQ-DHIUTWEWSA-N 2 2 410.558 4.039 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)c1Br ZINC000447938667 871818746 /nfs/dbraw/zinc/81/87/46/871818746.db2.gz BZVBRQIEAJTWOK-IYBDPMFKSA-N 2 2 419.411 4.259 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1Br ZINC000447938667 871818750 /nfs/dbraw/zinc/81/87/50/871818750.db2.gz BZVBRQIEAJTWOK-IYBDPMFKSA-N 2 2 419.411 4.259 20 0 HIADLP CCC(CC)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(OC)c(OC)c1 ZINC000461093321 874008972 /nfs/dbraw/zinc/00/89/72/874008972.db2.gz IINDLMJMBBCMII-UHFFFAOYSA-N 2 2 411.590 4.411 20 0 HIADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cnn1C(C)C ZINC000468818315 882875189 /nfs/dbraw/zinc/87/51/89/882875189.db2.gz FBWQHNKCLRWCGR-GOSISDBHSA-N 2 2 404.002 4.289 20 0 HIADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462512611 875632118 /nfs/dbraw/zinc/63/21/18/875632118.db2.gz TTYXNYYVSUSQDB-LJQANCHMSA-N 2 2 414.619 4.177 20 0 HIADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462512611 875632131 /nfs/dbraw/zinc/63/21/31/875632131.db2.gz TTYXNYYVSUSQDB-LJQANCHMSA-N 2 2 414.619 4.177 20 0 HIADLP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(-n4c[nH+]c(C)c4C)cc3)cc2F)CC1 ZINC000462763274 875825659 /nfs/dbraw/zinc/82/56/59/875825659.db2.gz DBIDOEVNNGOFBP-UHFFFAOYSA-N 2 2 421.520 4.022 20 0 HIADLP COc1ccccc1[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC000463083834 876114682 /nfs/dbraw/zinc/11/46/82/876114682.db2.gz HZJZVXQWATYUFT-FQEVSTJZSA-N 2 2 413.528 4.229 20 0 HIADLP COc1ccc(Br)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463116079 876156231 /nfs/dbraw/zinc/15/62/31/876156231.db2.gz MMDPKXFYDRPWJK-UHFFFAOYSA-N 2 2 403.364 4.254 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2Br)[C@H](C)C1 ZINC000463120908 876163676 /nfs/dbraw/zinc/16/36/76/876163676.db2.gz ARJILFMZDQLFDK-KDOFPFPSSA-N 2 2 403.792 4.329 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2Br)[C@H](C)C1 ZINC000463120908 876163683 /nfs/dbraw/zinc/16/36/83/876163683.db2.gz ARJILFMZDQLFDK-KDOFPFPSSA-N 2 2 403.792 4.329 20 0 HIADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1c(F)cccc1F ZINC000463126186 876170717 /nfs/dbraw/zinc/17/07/17/876170717.db2.gz YYRWJCMZCRWVTN-QFIPXVFZSA-N 2 2 405.508 4.003 20 0 HIADLP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCCC1 ZINC000463135826 876185675 /nfs/dbraw/zinc/18/56/75/876185675.db2.gz ADERCQHUJSPESN-RUZDIDTESA-N 2 2 407.602 4.129 20 0 HIADLP c1ccc(CC[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000463155547 876208055 /nfs/dbraw/zinc/20/80/55/876208055.db2.gz NYRVLYXVRVPGQR-COZMKHHLSA-N 3 2 403.614 4.479 20 0 HIADLP c1ccc(CC[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000463155547 876208066 /nfs/dbraw/zinc/20/80/66/876208066.db2.gz NYRVLYXVRVPGQR-COZMKHHLSA-N 3 2 403.614 4.479 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463203656 876264371 /nfs/dbraw/zinc/26/43/71/876264371.db2.gz GSAWFHRPAKSCIQ-GOTSBHOMSA-N 3 2 405.630 4.440 20 0 HIADLP CN(C(=O)NCc1ccc(C(F)F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000463219812 876277918 /nfs/dbraw/zinc/27/79/18/876277918.db2.gz AJGPESJTHZKOSQ-LEWJYISDSA-N 2 2 422.564 4.103 20 0 HIADLP CN(C(=O)NCc1ccc(C(F)F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000463219812 876277933 /nfs/dbraw/zinc/27/79/33/876277933.db2.gz AJGPESJTHZKOSQ-LEWJYISDSA-N 2 2 422.564 4.103 20 0 HIADLP FC(F)(F)c1ccc2nnc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n2c1 ZINC000463248635 876305805 /nfs/dbraw/zinc/30/58/05/876305805.db2.gz VJYMFPVLOQJDQD-YQQQUEKLSA-N 2 2 415.463 4.033 20 0 HIADLP FC(F)(F)c1ccc2nnc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2c1 ZINC000463248635 876305826 /nfs/dbraw/zinc/30/58/26/876305826.db2.gz VJYMFPVLOQJDQD-YQQQUEKLSA-N 2 2 415.463 4.033 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000463293560 876353409 /nfs/dbraw/zinc/35/34/09/876353409.db2.gz KRVLHFOBLSPNJH-QHCPKHFHSA-N 2 2 416.512 4.256 20 0 HIADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H]1c1ccccc1 ZINC000463704400 876824148 /nfs/dbraw/zinc/82/41/48/876824148.db2.gz QGQCZIVJCBORLR-PKTZIBPZSA-N 2 2 415.541 4.453 20 0 HIADLP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H]1c1ccccc1 ZINC000463704400 876824159 /nfs/dbraw/zinc/82/41/59/876824159.db2.gz QGQCZIVJCBORLR-PKTZIBPZSA-N 2 2 415.541 4.453 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000463710338 876829533 /nfs/dbraw/zinc/82/95/33/876829533.db2.gz YEUBYZFUQFQDLP-UHFFFAOYSA-N 2 2 407.562 4.369 20 0 HIADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(Cl)ccc3Br)cc2)CC1 ZINC000464041800 877180042 /nfs/dbraw/zinc/18/00/42/877180042.db2.gz RUTGDYTYOUZOPK-UHFFFAOYSA-N 2 2 422.798 4.140 20 0 HIADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(Cl)ccc3Br)cc2)CC1 ZINC000464041800 877180056 /nfs/dbraw/zinc/18/00/56/877180056.db2.gz RUTGDYTYOUZOPK-UHFFFAOYSA-N 2 2 422.798 4.140 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000503266396 912249527 /nfs/dbraw/zinc/24/95/27/912249527.db2.gz ICJAWWQMEKTPJT-UHFFFAOYSA-N 2 2 419.613 4.306 20 0 HIADLP CC[N@@H+](CC(=O)NCCc1ccc(C(C)C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808154 878057326 /nfs/dbraw/zinc/05/73/26/878057326.db2.gz JGTUBLCUCTUYFH-UHFFFAOYSA-N 2 2 422.617 4.102 20 0 HIADLP CC[N@H+](CC(=O)NCCc1ccc(C(C)C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808154 878057347 /nfs/dbraw/zinc/05/73/47/878057347.db2.gz JGTUBLCUCTUYFH-UHFFFAOYSA-N 2 2 422.617 4.102 20 0 HIADLP O[C@@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503409306 912391766 /nfs/dbraw/zinc/39/17/66/912391766.db2.gz JOXVAMQUXGRDNZ-MJGOQNOKSA-N 2 2 407.480 4.021 20 0 HIADLP O[C@@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503409306 912391783 /nfs/dbraw/zinc/39/17/83/912391783.db2.gz JOXVAMQUXGRDNZ-MJGOQNOKSA-N 2 2 407.480 4.021 20 0 HIADLP CCc1ccc([C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C(C)C)cc1 ZINC000465628125 879137647 /nfs/dbraw/zinc/13/76/47/879137647.db2.gz IDPUSUCVLIPIJO-HSZRJFAPSA-N 2 2 414.638 4.196 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503427561 912423037 /nfs/dbraw/zinc/42/30/37/912423037.db2.gz DFWPAJVVIIDBLP-LNLFQRSKSA-N 2 2 414.981 4.318 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503427561 912423063 /nfs/dbraw/zinc/42/30/63/912423063.db2.gz DFWPAJVVIIDBLP-LNLFQRSKSA-N 2 2 414.981 4.318 20 0 HIADLP Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465664773 879196154 /nfs/dbraw/zinc/19/61/54/879196154.db2.gz UVVTYKKXNLZSCM-LJQANCHMSA-N 2 2 412.578 4.052 20 0 HIADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C2)n2c1CCCC2 ZINC000503434225 912438238 /nfs/dbraw/zinc/43/82/38/912438238.db2.gz DXIRGEFYQPLMKB-IBGZPJMESA-N 2 2 401.558 4.273 20 0 HIADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C2)n2c1CCCC2 ZINC000503434225 912438256 /nfs/dbraw/zinc/43/82/56/912438256.db2.gz DXIRGEFYQPLMKB-IBGZPJMESA-N 2 2 401.558 4.273 20 0 HIADLP Ic1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503443094 912462360 /nfs/dbraw/zinc/46/23/60/912462360.db2.gz VTLALHRMSMMSJE-INIZCTEOSA-N 2 2 421.326 4.204 20 0 HIADLP Ic1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503443094 912462372 /nfs/dbraw/zinc/46/23/72/912462372.db2.gz VTLALHRMSMMSJE-INIZCTEOSA-N 2 2 421.326 4.204 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2cccc(OC3CCCC3)c2)([NH+]2CCCCC2)CC1 ZINC000466134660 879846558 /nfs/dbraw/zinc/84/65/58/879846558.db2.gz AXYPOARCCQXKLK-UHFFFAOYSA-N 2 2 414.594 4.080 20 0 HIADLP C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467139638 880883758 /nfs/dbraw/zinc/88/37/58/880883758.db2.gz OKWYCWOYUVBNNY-GFCCVEGCSA-N 2 2 417.485 4.018 20 0 HIADLP Brc1cccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C2CCOCC2)c1 ZINC000467393934 881178694 /nfs/dbraw/zinc/17/86/94/881178694.db2.gz MWVUDXKKHKRHBG-NRFANRHFSA-N 2 2 418.379 4.282 20 0 HIADLP C[N@H+](Cc1ccc(Br)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512375664 921113610 /nfs/dbraw/zinc/11/36/10/921113610.db2.gz WHDMHCWYOLKERL-UHFFFAOYSA-N 2 2 406.343 4.122 20 0 HIADLP C[N@@H+](Cc1ccc(Br)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512375664 921113619 /nfs/dbraw/zinc/11/36/19/921113619.db2.gz WHDMHCWYOLKERL-UHFFFAOYSA-N 2 2 406.343 4.122 20 0 HIADLP CCC(CC)(CNC(=O)c1ccccc1C[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000469499023 883743401 /nfs/dbraw/zinc/74/34/01/883743401.db2.gz DYRXBOLHTWMRQE-NRFANRHFSA-N 2 2 423.601 4.158 20 0 HIADLP CC(C)C[C@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000469777235 883953129 /nfs/dbraw/zinc/95/31/29/883953129.db2.gz WDMLIINIDMRGPP-LSWJPFSZSA-N 2 2 410.562 4.010 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000469862894 884051606 /nfs/dbraw/zinc/05/16/06/884051606.db2.gz NYSUEHYQLFSTHW-VIZSFHNOSA-N 2 2 409.578 4.050 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000469862894 884051626 /nfs/dbraw/zinc/05/16/26/884051626.db2.gz NYSUEHYQLFSTHW-VIZSFHNOSA-N 2 2 409.578 4.050 20 0 HIADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503920858 912864905 /nfs/dbraw/zinc/86/49/05/912864905.db2.gz PZVXEBUXFAHGQR-XLIONFOSSA-N 2 2 424.427 4.213 20 0 HIADLP O=c1ccccn1C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000503930388 912869251 /nfs/dbraw/zinc/86/92/51/912869251.db2.gz RMDKFCMKIIKQEX-RUZDIDTESA-N 2 2 419.544 4.025 20 0 HIADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000471122152 885659047 /nfs/dbraw/zinc/65/90/47/885659047.db2.gz WRMOEFFPHKLGPS-AVRWGWEMSA-N 2 2 416.569 4.034 20 0 HIADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000471122152 885659056 /nfs/dbraw/zinc/65/90/56/885659056.db2.gz WRMOEFFPHKLGPS-AVRWGWEMSA-N 2 2 416.569 4.034 20 0 HIADLP C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471174639 885734931 /nfs/dbraw/zinc/73/49/31/885734931.db2.gz ADCWYTPORSIFPU-PKOBYXMFSA-N 2 2 421.570 4.304 20 0 HIADLP C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471174639 885734942 /nfs/dbraw/zinc/73/49/42/885734942.db2.gz ADCWYTPORSIFPU-PKOBYXMFSA-N 2 2 421.570 4.304 20 0 HIADLP O=C1[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCN1c1ccccc1C(F)(F)F ZINC000471859539 886632349 /nfs/dbraw/zinc/63/23/49/886632349.db2.gz VZADUGZYYMHPDP-FQEVSTJZSA-N 2 2 417.475 4.065 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000472776171 887621619 /nfs/dbraw/zinc/62/16/19/887621619.db2.gz WKOBKPXWUGEEAQ-LDQXTDLNSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000472776171 887621625 /nfs/dbraw/zinc/62/16/25/887621625.db2.gz WKOBKPXWUGEEAQ-LDQXTDLNSA-N 2 2 408.464 4.119 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000473047305 887869823 /nfs/dbraw/zinc/86/98/23/887869823.db2.gz FQNQIMCZKQGLOJ-HNNXBMFYSA-N 2 2 406.921 4.480 20 0 HIADLP C[C@H](CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12)[NH+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473157845 887936173 /nfs/dbraw/zinc/93/61/73/887936173.db2.gz GNNQUQLXWAWSDO-VANUSSGQSA-N 2 2 404.554 4.028 20 0 HIADLP C[C@H](CC[N@H+]1CC[C@]2(C1)OCc1ccccc12)[NH+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473157845 887936181 /nfs/dbraw/zinc/93/61/81/887936181.db2.gz GNNQUQLXWAWSDO-VANUSSGQSA-N 2 2 404.554 4.028 20 0 HIADLP C[C@H](CC[NH+]1CC[C@]2(C1)OCc1ccccc12)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473157845 887936185 /nfs/dbraw/zinc/93/61/85/887936185.db2.gz GNNQUQLXWAWSDO-VANUSSGQSA-N 2 2 404.554 4.028 20 0 HIADLP C[C@H](CC[NH+]1CC[C@]2(C1)OCc1ccccc12)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473157845 887936191 /nfs/dbraw/zinc/93/61/91/887936191.db2.gz GNNQUQLXWAWSDO-VANUSSGQSA-N 2 2 404.554 4.028 20 0 HIADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000473444510 888167348 /nfs/dbraw/zinc/16/73/48/888167348.db2.gz SVKNBSRITIWBPB-UHFFFAOYSA-N 2 2 405.612 4.048 20 0 HIADLP O=C1[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCN1c1ccc(Cl)cc1Cl ZINC000474421188 889284966 /nfs/dbraw/zinc/28/49/66/889284966.db2.gz KOYUGYRLBBFWDX-SFHVURJKSA-N 2 2 419.356 4.142 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CCc1ccc(I)cc1)CCC2 ZINC000474805353 889658562 /nfs/dbraw/zinc/65/85/62/889658562.db2.gz CEYROGCLGFTFNA-WMLDXEAASA-N 2 2 423.342 4.284 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)C2 ZINC000474894742 889752160 /nfs/dbraw/zinc/75/21/60/889752160.db2.gz DDKBHGXGASXQQW-IBGZPJMESA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)CC2 ZINC000474894742 889752167 /nfs/dbraw/zinc/75/21/67/889752167.db2.gz DDKBHGXGASXQQW-IBGZPJMESA-N 2 2 408.590 4.186 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000475111584 889961598 /nfs/dbraw/zinc/96/15/98/889961598.db2.gz OVAZVJMMERSSNX-HMXCVIKNSA-N 2 2 408.590 4.322 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475111584 889961608 /nfs/dbraw/zinc/96/16/08/889961608.db2.gz OVAZVJMMERSSNX-HMXCVIKNSA-N 2 2 408.590 4.322 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000475111584 889961616 /nfs/dbraw/zinc/96/16/16/889961616.db2.gz OVAZVJMMERSSNX-HMXCVIKNSA-N 2 2 408.590 4.322 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475111584 889961620 /nfs/dbraw/zinc/96/16/20/889961620.db2.gz OVAZVJMMERSSNX-HMXCVIKNSA-N 2 2 408.590 4.322 20 0 HIADLP CCCOc1c(Br)cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000475117440 889973510 /nfs/dbraw/zinc/97/35/10/889973510.db2.gz HEZXPYSAEXOCFZ-UHFFFAOYSA-N 2 2 411.384 4.307 20 0 HIADLP CCCOc1c(Br)cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000475117440 889973529 /nfs/dbraw/zinc/97/35/29/889973529.db2.gz HEZXPYSAEXOCFZ-UHFFFAOYSA-N 2 2 411.384 4.307 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)C2 ZINC000475118388 889973732 /nfs/dbraw/zinc/97/37/32/889973732.db2.gz KDSBBTGJAGNUGT-NZQKXSOJSA-N 2 2 408.590 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)CC2 ZINC000475118388 889973752 /nfs/dbraw/zinc/97/37/52/889973752.db2.gz KDSBBTGJAGNUGT-NZQKXSOJSA-N 2 2 408.590 4.227 20 0 HIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)sc1Br ZINC000512378943 921116844 /nfs/dbraw/zinc/11/68/44/921116844.db2.gz CBBZXQRROCVMBL-UHFFFAOYSA-N 2 2 408.409 4.353 20 0 HIADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)sc1Br ZINC000512378943 921116849 /nfs/dbraw/zinc/11/68/49/921116849.db2.gz CBBZXQRROCVMBL-UHFFFAOYSA-N 2 2 408.409 4.353 20 0 HIADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475341524 890264483 /nfs/dbraw/zinc/26/44/83/890264483.db2.gz CNMMXJJQMYPFGP-TZYSRNFLSA-N 2 2 417.903 4.452 20 0 HIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CO)c3ccccc3OC(F)(F)F)CC2)C1 ZINC000475568421 890499528 /nfs/dbraw/zinc/49/95/28/890499528.db2.gz FWTBQLFUNOQURP-HHXXYDBFSA-N 2 2 400.485 4.251 20 0 HIADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476208310 891138861 /nfs/dbraw/zinc/13/88/61/891138861.db2.gz UOVWKXCOKVGKDE-RTWAWAEBSA-N 2 2 408.590 4.009 20 0 HIADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476208310 891138863 /nfs/dbraw/zinc/13/88/63/891138863.db2.gz UOVWKXCOKVGKDE-RTWAWAEBSA-N 2 2 408.590 4.009 20 0 HIADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476208310 891138866 /nfs/dbraw/zinc/13/88/66/891138866.db2.gz UOVWKXCOKVGKDE-RTWAWAEBSA-N 2 2 408.590 4.009 20 0 HIADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476208310 891138870 /nfs/dbraw/zinc/13/88/70/891138870.db2.gz UOVWKXCOKVGKDE-RTWAWAEBSA-N 2 2 408.590 4.009 20 0 HIADLP CC(C)OC(=O)Cc1nc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cs1 ZINC000476972953 891900696 /nfs/dbraw/zinc/90/06/96/891900696.db2.gz MROHXXPXVPQKAE-SFHVURJKSA-N 2 2 407.624 4.114 20 0 HIADLP CC(C)OC(=O)Cc1nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cs1 ZINC000476972953 891900711 /nfs/dbraw/zinc/90/07/11/891900711.db2.gz MROHXXPXVPQKAE-SFHVURJKSA-N 2 2 407.624 4.114 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000476988422 891914920 /nfs/dbraw/zinc/91/49/20/891914920.db2.gz SDJQGTKIKZXNBL-GOSISDBHSA-N 2 2 416.541 4.264 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000476988422 891914927 /nfs/dbraw/zinc/91/49/27/891914927.db2.gz SDJQGTKIKZXNBL-GOSISDBHSA-N 2 2 416.541 4.264 20 0 HIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000477937776 893028969 /nfs/dbraw/zinc/02/89/69/893028969.db2.gz NDWCOTACWCIQOB-GJZUVCINSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000477937776 893028990 /nfs/dbraw/zinc/02/89/90/893028990.db2.gz NDWCOTACWCIQOB-GJZUVCINSA-N 3 2 406.618 4.314 20 0 HIADLP Brc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000479331004 894624048 /nfs/dbraw/zinc/62/40/48/894624048.db2.gz ODZXGULKTBMXRQ-JOCHJYFZSA-N 2 2 415.375 4.449 20 0 HIADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000479480404 894803516 /nfs/dbraw/zinc/80/35/16/894803516.db2.gz RMOOOUPPXDZBPA-NVPAJSRCSA-N 2 2 409.496 4.372 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Br)ccc1F ZINC000479898410 895245099 /nfs/dbraw/zinc/24/50/99/895245099.db2.gz HBHGYHDCGDOJFI-HNNXBMFYSA-N 2 2 407.327 4.271 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCCC2)c1 ZINC000480083153 895440999 /nfs/dbraw/zinc/44/09/99/895440999.db2.gz ORJSVFMXUUPDLW-MZBJOSPHSA-N 2 2 407.602 4.332 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCCC2)c1 ZINC000480083153 895441016 /nfs/dbraw/zinc/44/10/16/895441016.db2.gz ORJSVFMXUUPDLW-MZBJOSPHSA-N 2 2 407.602 4.332 20 0 HIADLP Brc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCn2cc[nH+]c2)CCC3)cc1 ZINC000480088735 895450545 /nfs/dbraw/zinc/45/05/45/895450545.db2.gz YOIUZCOBKZJRDG-OAHLLOKOSA-N 2 2 403.349 4.436 20 0 HIADLP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C3CC[NH+](C4CC4)CC3)s2)cc1OC ZINC000480252670 895662178 /nfs/dbraw/zinc/66/21/78/895662178.db2.gz JQGAAFHBXHXKFR-OAHLLOKOSA-N 2 2 415.603 4.337 20 0 HIADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccsc2Cl)CC1 ZINC000480375857 895782423 /nfs/dbraw/zinc/78/24/23/895782423.db2.gz HXZMBDOIIDSETO-UHFFFAOYSA-N 2 2 403.901 4.462 20 0 HIADLP Cc1c([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000480528904 895892133 /nfs/dbraw/zinc/89/21/33/895892133.db2.gz PAYMTJUIKNGSFM-QGZVFWFLSA-N 2 2 420.948 4.367 20 0 HIADLP Cc1c([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000480550723 895911451 /nfs/dbraw/zinc/91/14/51/895911451.db2.gz MUXWJMMSVRKPAE-GOSISDBHSA-N 2 2 403.505 4.458 20 0 HIADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000505352107 914017677 /nfs/dbraw/zinc/01/76/77/914017677.db2.gz WBZWLZWUAUHKQC-DEOSSOPVSA-N 2 2 402.542 4.089 20 0 HIADLP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000505352107 914017693 /nfs/dbraw/zinc/01/76/93/914017693.db2.gz WBZWLZWUAUHKQC-DEOSSOPVSA-N 2 2 402.542 4.089 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000480601292 895964772 /nfs/dbraw/zinc/96/47/72/895964772.db2.gz MTOYVHHUUITPKV-DRLORSAXSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000480601292 895964784 /nfs/dbraw/zinc/96/47/84/895964784.db2.gz MTOYVHHUUITPKV-DRLORSAXSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000480601292 895964798 /nfs/dbraw/zinc/96/47/98/895964798.db2.gz MTOYVHHUUITPKV-DRLORSAXSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000480601292 895964813 /nfs/dbraw/zinc/96/48/13/895964813.db2.gz MTOYVHHUUITPKV-DRLORSAXSA-N 3 2 406.618 4.456 20 0 HIADLP Cc1cc2cc([C@@H](C)[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)oc2cc1C ZINC000480602819 895967812 /nfs/dbraw/zinc/96/78/12/895967812.db2.gz BXZWKFZCLOQYEN-LJQANCHMSA-N 2 2 405.542 4.288 20 0 HIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480622510 895991068 /nfs/dbraw/zinc/99/10/68/895991068.db2.gz YSZRAPORWJYLBF-SFHVURJKSA-N 2 2 413.587 4.118 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480787994 896154146 /nfs/dbraw/zinc/15/41/46/896154146.db2.gz QLWFDOOIZHHBFR-LJQANCHMSA-N 2 2 423.582 4.499 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000481037596 896364656 /nfs/dbraw/zinc/36/46/56/896364656.db2.gz KXDHSALOGCCQER-XXBNENTESA-N 2 2 415.603 4.182 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000481163630 896495015 /nfs/dbraw/zinc/49/50/15/896495015.db2.gz AQHWBUNOJUFLIY-LPHOPBHVSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000481163630 896495033 /nfs/dbraw/zinc/49/50/33/896495033.db2.gz AQHWBUNOJUFLIY-LPHOPBHVSA-N 2 2 405.464 4.144 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481167874 896500850 /nfs/dbraw/zinc/50/08/50/896500850.db2.gz ANTCQYCCHDEBNI-SLSDLSHTSA-N 2 2 407.602 4.312 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481167874 896500867 /nfs/dbraw/zinc/50/08/67/896500867.db2.gz ANTCQYCCHDEBNI-SLSDLSHTSA-N 2 2 407.602 4.312 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cccc2ncccc21 ZINC000481185132 896530371 /nfs/dbraw/zinc/53/03/71/896530371.db2.gz DIWZUUXCLUBRBH-DXIQSLLYSA-N 2 2 402.542 4.062 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cccc2ncccc21 ZINC000481185132 896530392 /nfs/dbraw/zinc/53/03/92/896530392.db2.gz DIWZUUXCLUBRBH-DXIQSLLYSA-N 2 2 402.542 4.062 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(F)cc1Cl ZINC000481190036 896538645 /nfs/dbraw/zinc/53/86/45/896538645.db2.gz OBWTVIUAHYOZRC-TWOQFEAHSA-N 2 2 403.929 4.306 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(F)cc1Cl ZINC000481190036 896538651 /nfs/dbraw/zinc/53/86/51/896538651.db2.gz OBWTVIUAHYOZRC-TWOQFEAHSA-N 2 2 403.929 4.306 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1nc2ccccc2s1 ZINC000481193953 896547894 /nfs/dbraw/zinc/54/78/94/896547894.db2.gz VQZBDNDFIAJXAV-LNLFQRSKSA-N 2 2 408.571 4.124 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1nc2ccccc2s1 ZINC000481193953 896547913 /nfs/dbraw/zinc/54/79/13/896547913.db2.gz VQZBDNDFIAJXAV-LNLFQRSKSA-N 2 2 408.571 4.124 20 0 HIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ccccc12 ZINC000481196800 896551266 /nfs/dbraw/zinc/55/12/66/896551266.db2.gz XQNUJQHJZUPPKZ-HXUWFJFHSA-N 2 2 420.553 4.410 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)c(Br)c1 ZINC000481319576 896673087 /nfs/dbraw/zinc/67/30/87/896673087.db2.gz LMVVBIRJFUUJSG-OAHLLOKOSA-N 2 2 407.327 4.271 20 0 HIADLP COc1ccc2cc([C@@H](C)[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)ccc2c1 ZINC000481415440 896819675 /nfs/dbraw/zinc/81/96/75/896819675.db2.gz FTTGRRBNRKGWHE-HXUWFJFHSA-N 2 2 420.553 4.410 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000481417107 896820742 /nfs/dbraw/zinc/82/07/42/896820742.db2.gz QMZHSKHYTKLBHQ-QRWLVFNGSA-N 2 2 406.343 4.026 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000481417107 896820746 /nfs/dbraw/zinc/82/07/46/896820746.db2.gz QMZHSKHYTKLBHQ-QRWLVFNGSA-N 2 2 406.343 4.026 20 0 HIADLP C[C@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481548017 896912001 /nfs/dbraw/zinc/91/20/01/896912001.db2.gz PAZLUFHFSDUSMG-WMLDXEAASA-N 2 2 406.313 4.270 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000481572571 896952264 /nfs/dbraw/zinc/95/22/64/896952264.db2.gz YSNCIGLZURHUKY-QGZVFWFLSA-N 2 2 405.477 4.175 20 0 HIADLP Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000481729727 897123781 /nfs/dbraw/zinc/12/37/81/897123781.db2.gz XWZUDAUMUKGPEU-UTKZUKDTSA-N 2 2 402.380 4.461 20 0 HIADLP Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000481729727 897123786 /nfs/dbraw/zinc/12/37/86/897123786.db2.gz XWZUDAUMUKGPEU-UTKZUKDTSA-N 2 2 402.380 4.461 20 0 HIADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc2ccccc2c1OC(F)F ZINC000482028074 897436471 /nfs/dbraw/zinc/43/64/71/897436471.db2.gz AGQOKEBCVISCBT-OXJNMPFZSA-N 2 2 419.516 4.035 20 0 HIADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc2ccccc2c1OC(F)F ZINC000482028074 897436479 /nfs/dbraw/zinc/43/64/79/897436479.db2.gz AGQOKEBCVISCBT-OXJNMPFZSA-N 2 2 419.516 4.035 20 0 HIADLP C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000482678301 898280076 /nfs/dbraw/zinc/28/00/76/898280076.db2.gz CEWSLDLRAMCJGH-IXDOHACOSA-N 2 2 418.582 4.226 20 0 HIADLP C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000482678301 898280095 /nfs/dbraw/zinc/28/00/95/898280095.db2.gz CEWSLDLRAMCJGH-IXDOHACOSA-N 2 2 418.582 4.226 20 0 HIADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000482742698 898346155 /nfs/dbraw/zinc/34/61/55/898346155.db2.gz JIJZZFAHORRPHE-VQIMIIECSA-N 2 2 403.567 4.009 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482956092 898585164 /nfs/dbraw/zinc/58/51/64/898585164.db2.gz ZVEOTVMIIWZKJN-BKMJKUGQSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482956092 898585169 /nfs/dbraw/zinc/58/51/69/898585169.db2.gz ZVEOTVMIIWZKJN-BKMJKUGQSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000483125894 898811323 /nfs/dbraw/zinc/81/13/23/898811323.db2.gz JXVNRUUXWFLOMF-DYESRHJHSA-N 2 2 414.391 4.376 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000483125894 898811329 /nfs/dbraw/zinc/81/13/29/898811329.db2.gz JXVNRUUXWFLOMF-DYESRHJHSA-N 2 2 414.391 4.376 20 0 HIADLP Cc1c([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)nnn1-c1ccc(Cl)cc1 ZINC000483153163 898828006 /nfs/dbraw/zinc/82/80/06/898828006.db2.gz ZJBUULXZCXVKMV-AWEZNQCLSA-N 2 2 401.917 4.281 20 0 HIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1cccc(Br)c1 ZINC000483816590 899493495 /nfs/dbraw/zinc/49/34/95/899493495.db2.gz JACHKYIQRHJXAZ-CBGDNZLLSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1cccc(Br)c1 ZINC000483816590 899493509 /nfs/dbraw/zinc/49/35/09/899493509.db2.gz JACHKYIQRHJXAZ-CBGDNZLLSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)s1 ZINC000484145342 899765496 /nfs/dbraw/zinc/76/54/96/899765496.db2.gz WYMTUITVEYCURY-UAGQMJEPSA-N 2 2 409.393 4.044 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)s1 ZINC000484145342 899765505 /nfs/dbraw/zinc/76/55/05/899765505.db2.gz WYMTUITVEYCURY-UAGQMJEPSA-N 2 2 409.393 4.044 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2ccncc2)cc1 ZINC000484145584 899766455 /nfs/dbraw/zinc/76/64/55/899766455.db2.gz NBTCRHKJFNYKRZ-XZZVZQAVSA-N 2 2 401.554 4.282 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2ccncc2)cc1 ZINC000484145584 899766464 /nfs/dbraw/zinc/76/64/64/899766464.db2.gz NBTCRHKJFNYKRZ-XZZVZQAVSA-N 2 2 401.554 4.282 20 0 HIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484156497 899777022 /nfs/dbraw/zinc/77/70/22/899777022.db2.gz GDZBPRAFLFZNEC-PWIZWCRZSA-N 2 2 401.620 4.283 20 0 HIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484156497 899777029 /nfs/dbraw/zinc/77/70/29/899777029.db2.gz GDZBPRAFLFZNEC-PWIZWCRZSA-N 2 2 401.620 4.283 20 0 HIADLP CC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc2c(c1)OCCO2 ZINC000484164468 899784030 /nfs/dbraw/zinc/78/40/30/899784030.db2.gz RCJFQGBAUDBCJC-UGKGYDQZSA-N 2 2 410.558 4.399 20 0 HIADLP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2c(OC)c1 ZINC000484294332 899857998 /nfs/dbraw/zinc/85/79/98/899857998.db2.gz LZEKGSTYZFTHQO-FDDCHVKYSA-N 2 2 422.573 4.013 20 0 HIADLP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2c(OC)c1 ZINC000484294332 899858005 /nfs/dbraw/zinc/85/80/05/899858005.db2.gz LZEKGSTYZFTHQO-FDDCHVKYSA-N 2 2 422.573 4.013 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2cncn2)cc1Cl ZINC000484479024 899971913 /nfs/dbraw/zinc/97/19/13/899971913.db2.gz GIWZHCOKPABLMK-BSRJHKFKSA-N 2 2 409.965 4.482 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2cncn2)cc1Cl ZINC000484479024 899971924 /nfs/dbraw/zinc/97/19/24/899971924.db2.gz GIWZHCOKPABLMK-BSRJHKFKSA-N 2 2 409.965 4.482 20 0 HIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OCC(F)(F)F)c1 ZINC000484646399 900091739 /nfs/dbraw/zinc/09/17/39/900091739.db2.gz XSYOHWZEURKNKE-FXAWDEMLSA-N 2 2 407.480 4.331 20 0 HIADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OCC(F)(F)F)c1 ZINC000484646399 900091740 /nfs/dbraw/zinc/09/17/40/900091740.db2.gz XSYOHWZEURKNKE-FXAWDEMLSA-N 2 2 407.480 4.331 20 0 HIADLP CC(C)(CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000485376694 900673991 /nfs/dbraw/zinc/67/39/91/900673991.db2.gz LAIJBMRATAPYDB-UHFFFAOYSA-N 2 2 417.985 4.013 20 0 HIADLP C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485410813 900707546 /nfs/dbraw/zinc/70/75/46/900707546.db2.gz XEUUQZRGJBXVKG-FTBPSBKWSA-N 2 2 405.586 4.240 20 0 HIADLP C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485410813 900707560 /nfs/dbraw/zinc/70/75/60/900707560.db2.gz XEUUQZRGJBXVKG-FTBPSBKWSA-N 2 2 405.586 4.240 20 0 HIADLP C[C@H]1C[C@@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000488204743 902687445 /nfs/dbraw/zinc/68/74/45/902687445.db2.gz XXDDMPPEFBBAMV-UGKGYDQZSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@H]1C[C@@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000488204743 902687453 /nfs/dbraw/zinc/68/74/53/902687453.db2.gz XXDDMPPEFBBAMV-UGKGYDQZSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000488204743 902687463 /nfs/dbraw/zinc/68/74/63/902687463.db2.gz XXDDMPPEFBBAMV-UGKGYDQZSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000488204743 902687472 /nfs/dbraw/zinc/68/74/72/902687472.db2.gz XXDDMPPEFBBAMV-UGKGYDQZSA-N 2 2 408.542 4.016 20 0 HIADLP Cc1ccccc1[C@H](C(C)C)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488732448 902970323 /nfs/dbraw/zinc/97/03/23/902970323.db2.gz WLNUIIXPLAXBPH-VWLOTQADSA-N 2 2 409.574 4.095 20 0 HIADLP Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488732448 902970346 /nfs/dbraw/zinc/97/03/46/902970346.db2.gz WLNUIIXPLAXBPH-VWLOTQADSA-N 2 2 409.574 4.095 20 0 HIADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000489651205 903516720 /nfs/dbraw/zinc/51/67/20/903516720.db2.gz UDWWJYIGWHROOM-LJQANCHMSA-N 2 2 407.558 4.060 20 0 HIADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000489651205 903516737 /nfs/dbraw/zinc/51/67/37/903516737.db2.gz UDWWJYIGWHROOM-LJQANCHMSA-N 2 2 407.558 4.060 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000489675295 903537901 /nfs/dbraw/zinc/53/79/01/903537901.db2.gz FGDSIMPRWNFORD-UHFFFAOYSA-N 2 2 424.520 4.132 20 0 HIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000489675295 903537916 /nfs/dbraw/zinc/53/79/16/903537916.db2.gz FGDSIMPRWNFORD-UHFFFAOYSA-N 2 2 424.520 4.132 20 0 HIADLP COc1cc(C)cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000489722294 903559303 /nfs/dbraw/zinc/55/93/03/903559303.db2.gz PUPLLEVMJPHIMJ-FCHUYYIVSA-N 2 2 416.610 4.113 20 0 HIADLP COc1cc(C)cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000489722294 903559309 /nfs/dbraw/zinc/55/93/09/903559309.db2.gz PUPLLEVMJPHIMJ-FCHUYYIVSA-N 2 2 416.610 4.113 20 0 HIADLP CCN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000492349250 904836838 /nfs/dbraw/zinc/83/68/38/904836838.db2.gz GKCVLSNKBDJWEK-KNQAVFIVSA-N 2 2 418.545 4.016 20 0 HIADLP CCN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000492349250 904836840 /nfs/dbraw/zinc/83/68/40/904836840.db2.gz GKCVLSNKBDJWEK-KNQAVFIVSA-N 2 2 418.545 4.016 20 0 HIADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000494039990 905382202 /nfs/dbraw/zinc/38/22/02/905382202.db2.gz WEZBRWFRHUXUEY-CKUXNOBLSA-N 2 2 420.601 4.272 20 0 HIADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000494039990 905382222 /nfs/dbraw/zinc/38/22/22/905382222.db2.gz WEZBRWFRHUXUEY-CKUXNOBLSA-N 2 2 420.601 4.272 20 0 HIADLP C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000494286916 905610763 /nfs/dbraw/zinc/61/07/63/905610763.db2.gz DXLNPYLTMJJYBO-HKWRFOASSA-N 2 2 409.599 4.209 20 0 HIADLP C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000494286916 905610773 /nfs/dbraw/zinc/61/07/73/905610773.db2.gz DXLNPYLTMJJYBO-HKWRFOASSA-N 2 2 409.599 4.209 20 0 HIADLP OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000512443976 921166492 /nfs/dbraw/zinc/16/64/92/921166492.db2.gz JKHYVWDTRXTQQM-RIKCKFAHSA-N 2 2 409.480 4.251 20 0 HIADLP OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000512443976 921166494 /nfs/dbraw/zinc/16/64/94/921166494.db2.gz JKHYVWDTRXTQQM-RIKCKFAHSA-N 2 2 409.480 4.251 20 0 HIADLP Clc1ccc(-n2c(C[NH+]3CCCC3)nnc2SCC[NH+]2CCCCC2)cc1 ZINC000494666865 905890733 /nfs/dbraw/zinc/89/07/33/905890733.db2.gz WANAEXAGSGQQOT-UHFFFAOYSA-N 2 2 405.999 4.095 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184260 906295267 /nfs/dbraw/zinc/29/52/67/906295267.db2.gz OOXUHXXYHPZDPX-TVTNDZMWSA-N 2 2 419.400 4.467 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184260 906295284 /nfs/dbraw/zinc/29/52/84/906295284.db2.gz OOXUHXXYHPZDPX-TVTNDZMWSA-N 2 2 419.400 4.467 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000495426029 906444825 /nfs/dbraw/zinc/44/48/25/906444825.db2.gz ISGAMZLYUBVLTO-BBTUJRGHSA-N 2 2 407.537 4.276 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000495426029 906444831 /nfs/dbraw/zinc/44/48/31/906444831.db2.gz ISGAMZLYUBVLTO-BBTUJRGHSA-N 2 2 407.537 4.276 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000495426031 906445076 /nfs/dbraw/zinc/44/50/76/906445076.db2.gz ISGAMZLYUBVLTO-LVCYWYKZSA-N 2 2 407.537 4.276 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000495426031 906445084 /nfs/dbraw/zinc/44/50/84/906445084.db2.gz ISGAMZLYUBVLTO-LVCYWYKZSA-N 2 2 407.537 4.276 20 0 HIADLP CN(C(=O)c1cc(F)c(Cl)cc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000495757686 906544653 /nfs/dbraw/zinc/54/46/53/906544653.db2.gz NCIBBTCGYSMADA-VQTJNVASSA-N 2 2 413.940 4.027 20 0 HIADLP CN(C(=O)c1cc(F)c(Cl)cc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495757686 906544658 /nfs/dbraw/zinc/54/46/58/906544658.db2.gz NCIBBTCGYSMADA-VQTJNVASSA-N 2 2 413.940 4.027 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC000512618658 921263628 /nfs/dbraw/zinc/26/36/28/921263628.db2.gz JMTWMQWDCAKYEF-JIMJEQGWSA-N 3 2 414.597 4.364 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC000512618658 921263634 /nfs/dbraw/zinc/26/36/34/921263634.db2.gz JMTWMQWDCAKYEF-JIMJEQGWSA-N 3 2 414.597 4.364 20 0 HIADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000497354393 906849431 /nfs/dbraw/zinc/84/94/31/906849431.db2.gz GKVKYOHCJLHUGS-UHFFFAOYSA-N 2 2 417.557 4.248 20 0 HIADLP Brc1ccc(-n2cc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cn2)cc1 ZINC000512847642 921352077 /nfs/dbraw/zinc/35/20/77/921352077.db2.gz YBUVYCMDLHYLBJ-UHFFFAOYSA-N 2 2 422.330 4.169 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2sc3ccccc3c2s1 ZINC000498411318 907888060 /nfs/dbraw/zinc/88/80/60/907888060.db2.gz DNJRVGNWWDOVGQ-UHFFFAOYSA-N 2 2 401.601 4.214 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2sc3ccccc3c2s1 ZINC000498411318 907888066 /nfs/dbraw/zinc/88/80/66/907888066.db2.gz DNJRVGNWWDOVGQ-UHFFFAOYSA-N 2 2 401.601 4.214 20 0 HIADLP CC(C)c1ccc(-c2nc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000498415260 907891087 /nfs/dbraw/zinc/89/10/87/907891087.db2.gz PKMGPUNAVMPFCV-UHFFFAOYSA-N 2 2 414.619 4.032 20 0 HIADLP CC(C)c1ccc(-c2nc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000498415260 907891094 /nfs/dbraw/zinc/89/10/94/907891094.db2.gz PKMGPUNAVMPFCV-UHFFFAOYSA-N 2 2 414.619 4.032 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]1 ZINC000499138562 908495456 /nfs/dbraw/zinc/49/54/56/908495456.db2.gz FXMSHHSURLYQLV-QEIWAGNOSA-N 3 2 400.570 4.259 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]1 ZINC000499138562 908495472 /nfs/dbraw/zinc/49/54/72/908495472.db2.gz FXMSHHSURLYQLV-QEIWAGNOSA-N 3 2 400.570 4.259 20 0 HIADLP CC(C)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)Nc1nccs1 ZINC000499174090 908526736 /nfs/dbraw/zinc/52/67/36/908526736.db2.gz GXVPUTKDIUZERU-PLACYPQZSA-N 2 2 412.603 4.282 20 0 HIADLP CC(C)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)Nc1nccs1 ZINC000499174090 908526755 /nfs/dbraw/zinc/52/67/55/908526755.db2.gz GXVPUTKDIUZERU-PLACYPQZSA-N 2 2 412.603 4.282 20 0 HIADLP O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C1CCCC1 ZINC000501695253 910764442 /nfs/dbraw/zinc/76/44/42/910764442.db2.gz HBEWBMMIVOPHOL-FQEVSTJZSA-N 2 2 418.545 4.104 20 0 HIADLP O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C1CCCC1 ZINC000501695253 910764460 /nfs/dbraw/zinc/76/44/60/910764460.db2.gz HBEWBMMIVOPHOL-FQEVSTJZSA-N 2 2 418.545 4.104 20 0 HIADLP Cc1[nH+]ccn1CCCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000502306878 911270957 /nfs/dbraw/zinc/27/09/57/911270957.db2.gz UIGGUYINTGWMLW-OAHLLOKOSA-N 2 2 402.543 4.106 20 0 HIADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502367100 911352821 /nfs/dbraw/zinc/35/28/21/911352821.db2.gz QLSPFXAKAMHFIX-UHFFFAOYSA-N 2 2 417.578 4.338 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503049961 912014429 /nfs/dbraw/zinc/01/44/29/912014429.db2.gz CHUCXHLDKBKJCT-DUXKGJEZSA-N 2 2 400.542 4.199 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503049961 912014448 /nfs/dbraw/zinc/01/44/48/912014448.db2.gz CHUCXHLDKBKJCT-DUXKGJEZSA-N 2 2 400.542 4.199 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503049963 912014728 /nfs/dbraw/zinc/01/47/28/912014728.db2.gz CHUCXHLDKBKJCT-QMMLZNLJSA-N 2 2 400.542 4.199 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503049963 912014741 /nfs/dbraw/zinc/01/47/41/912014741.db2.gz CHUCXHLDKBKJCT-QMMLZNLJSA-N 2 2 400.542 4.199 20 0 HIADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000503074372 912043637 /nfs/dbraw/zinc/04/36/37/912043637.db2.gz JQLYSDYXJRSSQO-NMNUPHIUSA-N 2 2 404.514 4.155 20 0 HIADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000503074372 912043648 /nfs/dbraw/zinc/04/36/48/912043648.db2.gz JQLYSDYXJRSSQO-NMNUPHIUSA-N 2 2 404.514 4.155 20 0 HIADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000503074371 912044221 /nfs/dbraw/zinc/04/42/21/912044221.db2.gz JQLYSDYXJRSSQO-LEOXJPRUSA-N 2 2 404.514 4.155 20 0 HIADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000503074371 912044237 /nfs/dbraw/zinc/04/42/37/912044237.db2.gz JQLYSDYXJRSSQO-LEOXJPRUSA-N 2 2 404.514 4.155 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503076088 912046149 /nfs/dbraw/zinc/04/61/49/912046149.db2.gz WOSZNCKIFIICRY-PBFPGSCMSA-N 2 2 414.859 4.465 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503076088 912046167 /nfs/dbraw/zinc/04/61/67/912046167.db2.gz WOSZNCKIFIICRY-PBFPGSCMSA-N 2 2 414.859 4.465 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503076086 912047062 /nfs/dbraw/zinc/04/70/62/912047062.db2.gz WOSZNCKIFIICRY-IGCXYCKISA-N 2 2 414.859 4.465 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503076086 912047080 /nfs/dbraw/zinc/04/70/80/912047080.db2.gz WOSZNCKIFIICRY-IGCXYCKISA-N 2 2 414.859 4.465 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503088724 912058720 /nfs/dbraw/zinc/05/87/20/912058720.db2.gz UUCWMCHAEWRNLO-RCZVLFRGSA-N 2 2 416.569 4.038 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503088724 912058741 /nfs/dbraw/zinc/05/87/41/912058741.db2.gz UUCWMCHAEWRNLO-RCZVLFRGSA-N 2 2 416.569 4.038 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000506568220 915215501 /nfs/dbraw/zinc/21/55/01/915215501.db2.gz WRFZLMNEXLSYCP-KBXCAEBGSA-N 2 2 423.445 4.497 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000506568220 915215522 /nfs/dbraw/zinc/21/55/22/915215522.db2.gz WRFZLMNEXLSYCP-KBXCAEBGSA-N 2 2 423.445 4.497 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000507892535 916744179 /nfs/dbraw/zinc/74/41/79/916744179.db2.gz HADMZIIYLBZZAK-IGCXYCKISA-N 2 2 414.859 4.465 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000507892535 916744204 /nfs/dbraw/zinc/74/42/04/916744204.db2.gz HADMZIIYLBZZAK-IGCXYCKISA-N 2 2 414.859 4.465 20 0 HIADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000507939588 916808243 /nfs/dbraw/zinc/80/82/43/916808243.db2.gz RCSZXCQNJRPVRR-VWLOTQADSA-N 2 2 417.553 4.136 20 0 HIADLP Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000508478664 917263344 /nfs/dbraw/zinc/26/33/44/917263344.db2.gz SWPVGNHTQCQWEW-UHFFFAOYSA-N 2 2 417.557 4.023 20 0 HIADLP C[C@@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508877241 917630153 /nfs/dbraw/zinc/63/01/53/917630153.db2.gz XUFQSMGTNYVYBD-FIXDAVPBSA-N 2 2 424.589 4.109 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000509029223 917783986 /nfs/dbraw/zinc/78/39/86/917783986.db2.gz DGPDTGCCHCNJNO-IOMROCGXSA-N 2 2 417.985 4.212 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000509029223 917783993 /nfs/dbraw/zinc/78/39/93/917783993.db2.gz DGPDTGCCHCNJNO-IOMROCGXSA-N 2 2 417.985 4.212 20 0 HIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)s1 ZINC000510261446 918794071 /nfs/dbraw/zinc/79/40/71/918794071.db2.gz WVANUDRKGFXHRW-UHFFFAOYSA-N 2 2 421.545 4.486 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000510522478 918968076 /nfs/dbraw/zinc/96/80/76/918968076.db2.gz IHBWFECNWZCLHY-OAHLLOKOSA-N 2 2 400.324 4.046 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000510522478 918968080 /nfs/dbraw/zinc/96/80/80/918968080.db2.gz IHBWFECNWZCLHY-OAHLLOKOSA-N 2 2 400.324 4.046 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000510644262 919083794 /nfs/dbraw/zinc/08/37/94/919083794.db2.gz HXEOYSKDEHHYEP-HFMPRLQTSA-N 2 2 423.605 4.193 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000510644262 919083808 /nfs/dbraw/zinc/08/38/08/919083808.db2.gz HXEOYSKDEHHYEP-HFMPRLQTSA-N 2 2 423.605 4.193 20 0 HIADLP Cc1cccc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2cccc(F)c2)c1 ZINC000510683491 919123535 /nfs/dbraw/zinc/12/35/35/919123535.db2.gz GMECTHKSTGGWQM-VWLOTQADSA-N 2 2 404.533 4.160 20 0 HIADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511246015 919847039 /nfs/dbraw/zinc/84/70/39/919847039.db2.gz DLVLJSLXMCDNIT-VKFKNLQPSA-N 2 2 421.589 4.064 20 0 HIADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511246015 919847041 /nfs/dbraw/zinc/84/70/41/919847041.db2.gz DLVLJSLXMCDNIT-VKFKNLQPSA-N 2 2 421.589 4.064 20 0 HIADLP Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000511994570 920764151 /nfs/dbraw/zinc/76/41/51/920764151.db2.gz VNWGSEKKDMXQJA-FCHUYYIVSA-N 2 2 406.014 4.366 20 0 HIADLP Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000511994570 920764167 /nfs/dbraw/zinc/76/41/67/920764167.db2.gz VNWGSEKKDMXQJA-FCHUYYIVSA-N 2 2 406.014 4.366 20 0 HIADLP FC(F)(F)c1ccc(-n2cc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cn2)cc1 ZINC000512114550 920868410 /nfs/dbraw/zinc/86/84/10/920868410.db2.gz HGLWMJHYRCIFGQ-UHFFFAOYSA-N 2 2 411.431 4.426 20 0 HIADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3OCc3ccccc3)cc2)CC1 ZINC000513648278 921971633 /nfs/dbraw/zinc/97/16/33/921971633.db2.gz OTRDRVKXPFTGDX-UHFFFAOYSA-N 2 2 415.581 4.303 20 0 HIADLP CCC[N@H+](Cc1noc(-c2ccccc2)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000514113516 922445123 /nfs/dbraw/zinc/44/51/23/922445123.db2.gz UZTOUXSXXWMUPH-UHFFFAOYSA-N 2 2 406.534 4.024 20 0 HIADLP CCC[N@@H+](Cc1noc(-c2ccccc2)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000514113516 922445134 /nfs/dbraw/zinc/44/51/34/922445134.db2.gz UZTOUXSXXWMUPH-UHFFFAOYSA-N 2 2 406.534 4.024 20 0 HIADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000514243269 922584594 /nfs/dbraw/zinc/58/45/94/922584594.db2.gz ZYIHOVZUMKCPMW-QFIPXVFZSA-N 2 2 423.948 4.162 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC(C)(C)[NH+]3CCC[C@H](C)C3)n2)C1 ZINC000516621444 923820683 /nfs/dbraw/zinc/82/06/83/923820683.db2.gz PKHHTWURKIRDEA-SJORKVTESA-N 2 2 407.628 4.007 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC(C)(C)[NH+]3CCC[C@H](C)C3)n2)C1 ZINC000516621444 923820690 /nfs/dbraw/zinc/82/06/90/923820690.db2.gz PKHHTWURKIRDEA-SJORKVTESA-N 2 2 407.628 4.007 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)n2)C1 ZINC000516621444 923820697 /nfs/dbraw/zinc/82/06/97/923820697.db2.gz PKHHTWURKIRDEA-SJORKVTESA-N 2 2 407.628 4.007 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)n2)C1 ZINC000516621444 923820699 /nfs/dbraw/zinc/82/06/99/923820699.db2.gz PKHHTWURKIRDEA-SJORKVTESA-N 2 2 407.628 4.007 20 0 HIADLP CC1CC[NH+](Cc2ccc(CNC(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)CC1 ZINC000516642647 923827582 /nfs/dbraw/zinc/82/75/82/923827582.db2.gz NFLKLUKJKFSVTE-UHFFFAOYSA-N 2 2 417.557 4.104 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)n1cncn1 ZINC000517250814 924060989 /nfs/dbraw/zinc/06/09/89/924060989.db2.gz QUCKNYPFSVDIAP-IBGZPJMESA-N 2 2 400.530 4.103 20 0 HIADLP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000517604656 926713590 /nfs/dbraw/zinc/71/35/90/926713590.db2.gz JQMGTWNSFRMLPT-QHCPKHFHSA-N 2 2 422.960 4.369 20 0 HIADLP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000517604656 926713596 /nfs/dbraw/zinc/71/35/96/926713596.db2.gz JQMGTWNSFRMLPT-QHCPKHFHSA-N 2 2 422.960 4.369 20 0 HIADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000518578406 927358547 /nfs/dbraw/zinc/35/85/47/927358547.db2.gz ILSMFZJIHOAGJQ-SFHVURJKSA-N 2 2 413.512 4.280 20 0 HIADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000518578406 927358565 /nfs/dbraw/zinc/35/85/65/927358565.db2.gz ILSMFZJIHOAGJQ-SFHVURJKSA-N 2 2 413.512 4.280 20 0 HIADLP C[N@H+](CCN1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1)Cc1ccccc1 ZINC000518722595 927454969 /nfs/dbraw/zinc/45/49/69/927454969.db2.gz NDJULLVYEYOJGA-UHFFFAOYSA-N 2 2 422.400 4.122 20 0 HIADLP C[N@@H+](CCN1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1)Cc1ccccc1 ZINC000518722595 927454985 /nfs/dbraw/zinc/45/49/85/927454985.db2.gz NDJULLVYEYOJGA-UHFFFAOYSA-N 2 2 422.400 4.122 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000519126109 927791917 /nfs/dbraw/zinc/79/19/17/927791917.db2.gz PASIBRWAVOFEHX-UHFFFAOYSA-N 2 2 423.768 4.033 20 0 HIADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000519921310 928153993 /nfs/dbraw/zinc/15/39/93/928153993.db2.gz CSQOSXNIIVKIKD-DEOSSOPVSA-N 2 2 423.626 4.079 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)[NH+]2CCCC2)cc1 ZINC000519936792 928172004 /nfs/dbraw/zinc/17/20/04/928172004.db2.gz RGRKXCLJSMIGQY-RPWUZVMVSA-N 2 2 423.626 4.038 20 0 HIADLP Cc1ccc([C@H](CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)[NH+](C)C)cc1 ZINC000520830066 928836014 /nfs/dbraw/zinc/83/60/14/928836014.db2.gz JTKWRIWZLWCXNL-PXNSSMCTSA-N 2 2 415.607 4.108 20 0 HIADLP Cc1ccc([C@H](CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)[NH+](C)C)cc1 ZINC000520830066 928836015 /nfs/dbraw/zinc/83/60/15/928836015.db2.gz JTKWRIWZLWCXNL-PXNSSMCTSA-N 2 2 415.607 4.108 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(-c4ccccc4)ccc3Cl)CC2)CC1 ZINC000521116254 929004285 /nfs/dbraw/zinc/00/42/85/929004285.db2.gz UWJUGARNRSOXQI-UHFFFAOYSA-N 2 2 411.977 4.295 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000521836575 929488721 /nfs/dbraw/zinc/48/87/21/929488721.db2.gz LEKIYQZSFGMCSG-NHCUHLMSSA-N 2 2 417.644 4.037 20 0 HIADLP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000524815585 929840550 /nfs/dbraw/zinc/84/05/50/929840550.db2.gz GFOTZTOAVFXREI-HYBUGGRVSA-N 2 2 402.542 4.057 20 0 HIADLP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000524815585 929840551 /nfs/dbraw/zinc/84/05/51/929840551.db2.gz GFOTZTOAVFXREI-HYBUGGRVSA-N 2 2 402.542 4.057 20 0 HIADLP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000524815586 929840670 /nfs/dbraw/zinc/84/06/70/929840670.db2.gz GFOTZTOAVFXREI-RDPSFJRHSA-N 2 2 402.542 4.057 20 0 HIADLP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000524815586 929840676 /nfs/dbraw/zinc/84/06/76/929840676.db2.gz GFOTZTOAVFXREI-RDPSFJRHSA-N 2 2 402.542 4.057 20 0 HIADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000530950207 930865266 /nfs/dbraw/zinc/86/52/66/930865266.db2.gz QPLUSGOQLZLPDF-QHCPKHFHSA-N 2 2 408.933 4.079 20 0 HIADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000531651980 931140116 /nfs/dbraw/zinc/14/01/16/931140116.db2.gz JROPDVJVEDDJCT-OXQOHEQNSA-N 2 2 410.389 4.075 20 0 HIADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000531651980 931140124 /nfs/dbraw/zinc/14/01/24/931140124.db2.gz JROPDVJVEDDJCT-OXQOHEQNSA-N 2 2 410.389 4.075 20 0 HIADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000531683888 931151993 /nfs/dbraw/zinc/15/19/93/931151993.db2.gz LZWIGUIJWPLGQP-IBGZPJMESA-N 2 2 418.607 4.015 20 0 HIADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1OCC(F)(F)F ZINC000531691797 931156231 /nfs/dbraw/zinc/15/62/31/931156231.db2.gz HBKLTURVKKMKOQ-VQIMIIECSA-N 2 2 423.479 4.032 20 0 HIADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1OCC(F)(F)F ZINC000531691797 931156233 /nfs/dbraw/zinc/15/62/33/931156233.db2.gz HBKLTURVKKMKOQ-VQIMIIECSA-N 2 2 423.479 4.032 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2)oc1C ZINC000531970005 931270233 /nfs/dbraw/zinc/27/02/33/931270233.db2.gz TZNXKXIFFZJAFO-SFHVURJKSA-N 3 2 407.562 4.348 20 0 HIADLP Fc1cccc(Cl)c1CN1CCC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000532195495 931344102 /nfs/dbraw/zinc/34/41/02/931344102.db2.gz OMOAASAAXVIGFM-UHFFFAOYSA-N 2 2 412.940 4.478 20 0 HIADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000532249302 931371426 /nfs/dbraw/zinc/37/14/26/931371426.db2.gz LZKACVVUSDLAGY-PXAZEXFGSA-N 2 2 423.932 4.103 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(C(F)(F)F)c1 ZINC000532345688 931402360 /nfs/dbraw/zinc/40/23/60/931402360.db2.gz IFVAUICLZPFFAV-VDGAXYAQSA-N 2 2 422.495 4.395 20 0 HIADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000532465089 931446611 /nfs/dbraw/zinc/44/66/11/931446611.db2.gz DJYDEXRQXQWRFD-OAHLLOKOSA-N 2 2 418.419 4.278 20 0 HIADLP C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000532486838 931457544 /nfs/dbraw/zinc/45/75/44/931457544.db2.gz VLMSKJBWHCHMMY-CABCVRRESA-N 2 2 402.608 4.246 20 0 HIADLP CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000532648856 931567018 /nfs/dbraw/zinc/56/70/18/931567018.db2.gz CKIMHNJIAICDRO-UHFFFAOYSA-N 2 2 408.571 4.451 20 0 HIADLP CC[N@H+](Cc1cccc(NC(C)=O)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532732746 931616143 /nfs/dbraw/zinc/61/61/43/931616143.db2.gz WRDQRCUIYPRBDQ-UHFFFAOYSA-N 2 2 409.578 4.358 20 0 HIADLP CC[N@@H+](Cc1cccc(NC(C)=O)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532732746 931616152 /nfs/dbraw/zinc/61/61/52/931616152.db2.gz WRDQRCUIYPRBDQ-UHFFFAOYSA-N 2 2 409.578 4.358 20 0 HIADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000532747216 931621354 /nfs/dbraw/zinc/62/13/54/931621354.db2.gz LZQZYKJCBIYEOR-LLBVYWAGSA-N 2 2 402.485 4.441 20 0 HIADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000532747216 931621358 /nfs/dbraw/zinc/62/13/58/931621358.db2.gz LZQZYKJCBIYEOR-LLBVYWAGSA-N 2 2 402.485 4.441 20 0 HIADLP C[C@@H](c1cccc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000533137872 931779267 /nfs/dbraw/zinc/77/92/67/931779267.db2.gz GUKQOHLFCUVXRS-FQEVSTJZSA-N 2 2 424.589 4.112 20 0 HIADLP C[C@@H](c1cccc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000533137872 931779271 /nfs/dbraw/zinc/77/92/71/931779271.db2.gz GUKQOHLFCUVXRS-FQEVSTJZSA-N 2 2 424.589 4.112 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(Br)cc3F)[nH+]c2)CC1 ZINC000533187025 931804238 /nfs/dbraw/zinc/80/42/38/931804238.db2.gz WCZHMSJPUIRKMZ-UHFFFAOYSA-N 2 2 407.331 4.126 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000533360553 931848342 /nfs/dbraw/zinc/84/83/42/931848342.db2.gz PVLBUKPWDWXWQZ-HXUWFJFHSA-N 2 2 402.542 4.371 20 0 HIADLP O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000533401713 931858843 /nfs/dbraw/zinc/85/88/43/931858843.db2.gz PJOSPCXXAQGZGR-JOCHJYFZSA-N 2 2 406.917 4.474 20 0 HIADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000533426329 931864820 /nfs/dbraw/zinc/86/48/20/931864820.db2.gz ABFLUKIGEOKUDU-RSXGOPAZSA-N 2 2 417.597 4.111 20 0 HIADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000533426329 931864821 /nfs/dbraw/zinc/86/48/21/931864821.db2.gz ABFLUKIGEOKUDU-RSXGOPAZSA-N 2 2 417.597 4.111 20 0 HIADLP CN(C(=O)C/C=C\c1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533647910 931943657 /nfs/dbraw/zinc/94/36/57/931943657.db2.gz HKSGOPIJJQARBK-HRXZGVCVSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)C/C=C\c1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533647910 931943664 /nfs/dbraw/zinc/94/36/64/931943664.db2.gz HKSGOPIJJQARBK-HRXZGVCVSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)CCSc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648482 931944254 /nfs/dbraw/zinc/94/42/54/931944254.db2.gz OPTKVUVZYDLHLE-FCHUYYIVSA-N 2 2 421.626 4.104 20 0 HIADLP CN(C(=O)CCSc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648482 931944258 /nfs/dbraw/zinc/94/42/58/931944258.db2.gz OPTKVUVZYDLHLE-FCHUYYIVSA-N 2 2 421.626 4.104 20 0 HIADLP CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649633 931946045 /nfs/dbraw/zinc/94/60/45/931946045.db2.gz PORRKANHCLJLNU-WOJBJXKFSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649633 931946050 /nfs/dbraw/zinc/94/60/50/931946050.db2.gz PORRKANHCLJLNU-WOJBJXKFSA-N 2 2 412.405 4.403 20 0 HIADLP CC(C)CO[C@H](C)c1noc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534228351 932348084 /nfs/dbraw/zinc/34/80/84/932348084.db2.gz LIEGAGOPVIJFLO-HXUWFJFHSA-N 2 2 412.578 4.291 20 0 HIADLP CC(C)CO[C@H](C)c1noc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534228351 932348091 /nfs/dbraw/zinc/34/80/91/932348091.db2.gz LIEGAGOPVIJFLO-HXUWFJFHSA-N 2 2 412.578 4.291 20 0 HIADLP CN(C(=O)c1cc(Cl)sc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361139 932394918 /nfs/dbraw/zinc/39/49/18/932394918.db2.gz SYEJEXHGQWVJMT-HOTGVXAUSA-N 2 2 418.434 4.464 20 0 HIADLP CN(C(=O)c1cc(Cl)sc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361139 932394927 /nfs/dbraw/zinc/39/49/27/932394927.db2.gz SYEJEXHGQWVJMT-HOTGVXAUSA-N 2 2 418.434 4.464 20 0 HIADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000534948655 932853644 /nfs/dbraw/zinc/85/36/44/932853644.db2.gz SDQJQOZKJFIKMR-NHCUHLMSSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000534948655 932853646 /nfs/dbraw/zinc/85/36/46/932853646.db2.gz SDQJQOZKJFIKMR-NHCUHLMSSA-N 2 2 407.002 4.449 20 0 HIADLP c1ccc(CCc2noc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)n2)cc1 ZINC000534966839 932865806 /nfs/dbraw/zinc/86/58/06/932865806.db2.gz GTWMEHCDFYSFKC-UHFFFAOYSA-N 2 2 416.569 4.343 20 0 HIADLP c1ccc(CCc2noc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)n2)cc1 ZINC000534966839 932865809 /nfs/dbraw/zinc/86/58/09/932865809.db2.gz GTWMEHCDFYSFKC-UHFFFAOYSA-N 2 2 416.569 4.343 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093306 932905160 /nfs/dbraw/zinc/90/51/60/932905160.db2.gz CMELUMAGARFXSO-UXHICEINSA-N 2 2 417.981 4.495 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093306 932905166 /nfs/dbraw/zinc/90/51/66/932905166.db2.gz CMELUMAGARFXSO-UXHICEINSA-N 2 2 417.981 4.495 20 0 HIADLP CN(C(=O)CCc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093606 932907455 /nfs/dbraw/zinc/90/74/55/932907455.db2.gz DIODROCCHRETCN-YADHBBJMSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093606 932907459 /nfs/dbraw/zinc/90/74/59/932907459.db2.gz DIODROCCHRETCN-YADHBBJMSA-N 2 2 406.014 4.068 20 0 HIADLP CSc1ccc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535094960 932908681 /nfs/dbraw/zinc/90/86/81/932908681.db2.gz IAAMTLNQTKOTTQ-YADHBBJMSA-N 2 2 403.636 4.126 20 0 HIADLP CSc1ccc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535094960 932908688 /nfs/dbraw/zinc/90/86/88/932908688.db2.gz IAAMTLNQTKOTTQ-YADHBBJMSA-N 2 2 403.636 4.126 20 0 HIADLP Cc1cccc2c(CCC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535097654 932914844 /nfs/dbraw/zinc/91/48/44/932914844.db2.gz XXAHMQZCEDVKEB-BJKOFHAPSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1cccc2c(CCC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535097654 932914854 /nfs/dbraw/zinc/91/48/54/932914854.db2.gz XXAHMQZCEDVKEB-BJKOFHAPSA-N 2 2 424.633 4.205 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000535122664 932939729 /nfs/dbraw/zinc/93/97/29/932939729.db2.gz WCGNVZHJZYILMQ-XGRCMKMKSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000535122664 932939738 /nfs/dbraw/zinc/93/97/38/932939738.db2.gz WCGNVZHJZYILMQ-XGRCMKMKSA-N 2 2 422.564 4.004 20 0 HIADLP CN(C(=O)c1cccc(-c2ccoc2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535634985 933277373 /nfs/dbraw/zinc/27/73/73/933277373.db2.gz FUJPLNXPDMORPG-ZEQRLZLVSA-N 2 2 409.574 4.356 20 0 HIADLP CN(C(=O)c1cccc(-c2ccoc2)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535634985 933277380 /nfs/dbraw/zinc/27/73/80/933277380.db2.gz FUJPLNXPDMORPG-ZEQRLZLVSA-N 2 2 409.574 4.356 20 0 HIADLP CN(C(=O)CCCc1cc(F)ccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535635987 933277865 /nfs/dbraw/zinc/27/78/65/933277865.db2.gz GXXMXAQZSBUTCI-GOTSBHOMSA-N 2 2 421.576 4.083 20 0 HIADLP CN(C(=O)CCCc1cc(F)ccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535635987 933277874 /nfs/dbraw/zinc/27/78/74/933277874.db2.gz GXXMXAQZSBUTCI-GOTSBHOMSA-N 2 2 421.576 4.083 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000535810267 933405168 /nfs/dbraw/zinc/40/51/68/933405168.db2.gz AIQWTJYNNACJLX-UWJYYQICSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000535810267 933405177 /nfs/dbraw/zinc/40/51/77/933405177.db2.gz AIQWTJYNNACJLX-UWJYYQICSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535810267 933405190 /nfs/dbraw/zinc/40/51/90/933405190.db2.gz AIQWTJYNNACJLX-UWJYYQICSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535810267 933405200 /nfs/dbraw/zinc/40/52/00/933405200.db2.gz AIQWTJYNNACJLX-UWJYYQICSA-N 2 2 417.395 4.168 20 0 HIADLP CN(C(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848991 933429982 /nfs/dbraw/zinc/42/99/82/933429982.db2.gz JEELNPPSYZOZOB-RTBURBONSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848991 933429987 /nfs/dbraw/zinc/42/99/87/933429987.db2.gz JEELNPPSYZOZOB-RTBURBONSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848804 933430659 /nfs/dbraw/zinc/43/06/59/933430659.db2.gz CLGWUJLNKQVODP-LFGUQSLTSA-N 2 2 417.560 4.151 20 0 HIADLP CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848804 933430666 /nfs/dbraw/zinc/43/06/66/933430666.db2.gz CLGWUJLNKQVODP-LFGUQSLTSA-N 2 2 417.560 4.151 20 0 HIADLP Cc1c2cccc(C)c2oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850964 933434315 /nfs/dbraw/zinc/43/43/15/933434315.db2.gz YETZNCMUJKDUCY-FCHUYYIVSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1c2cccc(C)c2oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850964 933434327 /nfs/dbraw/zinc/43/43/27/933434327.db2.gz YETZNCMUJKDUCY-FCHUYYIVSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1ccc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535866302 933449175 /nfs/dbraw/zinc/44/91/75/933449175.db2.gz JRJQZJTYJJSDHF-HUVFLSCGSA-N 2 2 414.638 4.077 20 0 HIADLP Cc1ccc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535866302 933449177 /nfs/dbraw/zinc/44/91/77/933449177.db2.gz JRJQZJTYJJSDHF-HUVFLSCGSA-N 2 2 414.638 4.077 20 0 HIADLP CCSc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000535987668 933548135 /nfs/dbraw/zinc/54/81/35/933548135.db2.gz WYQDFEWUPQRKFC-IBGZPJMESA-N 2 2 400.588 4.360 20 0 HIADLP CSc1cccc([C@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2cc(F)ccc2F)c1 ZINC000537607084 938332283 /nfs/dbraw/zinc/33/22/83/938332283.db2.gz ONYUFZPKXMSNQS-QHCPKHFHSA-N 2 2 419.585 4.393 20 0 HIADLP CC[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537615991 938334273 /nfs/dbraw/zinc/33/42/73/938334273.db2.gz HNWXZHIOXQMOOT-DEOSSOPVSA-N 2 2 409.574 4.378 20 0 HIADLP CC[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537615991 938334278 /nfs/dbraw/zinc/33/42/78/938334278.db2.gz HNWXZHIOXQMOOT-DEOSSOPVSA-N 2 2 409.574 4.378 20 0 HIADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000537938856 938423628 /nfs/dbraw/zinc/42/36/28/938423628.db2.gz UPLGNMGSJKTLCL-IGKWTDBASA-N 2 2 400.530 4.491 20 0 HIADLP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537940333 938425385 /nfs/dbraw/zinc/42/53/85/938425385.db2.gz FMLUBHJBJKFMRS-YNIBOWSTSA-N 3 2 406.618 4.182 20 0 HIADLP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537940333 938425390 /nfs/dbraw/zinc/42/53/90/938425390.db2.gz FMLUBHJBJKFMRS-YNIBOWSTSA-N 3 2 406.618 4.182 20 0 HIADLP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000537940333 938425392 /nfs/dbraw/zinc/42/53/92/938425392.db2.gz FMLUBHJBJKFMRS-YNIBOWSTSA-N 3 2 406.618 4.182 20 0 HIADLP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000537940333 938425395 /nfs/dbraw/zinc/42/53/95/938425395.db2.gz FMLUBHJBJKFMRS-YNIBOWSTSA-N 3 2 406.618 4.182 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054958 938487483 /nfs/dbraw/zinc/48/74/83/938487483.db2.gz ZHGGZPBMLLSKFV-VQTJNVASSA-N 2 2 424.992 4.177 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054958 938487488 /nfs/dbraw/zinc/48/74/88/938487488.db2.gz ZHGGZPBMLLSKFV-VQTJNVASSA-N 2 2 424.992 4.177 20 0 HIADLP Cc1nc([C@@H](C)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)oc1-c1ccc(Cl)cc1 ZINC000538120391 938508794 /nfs/dbraw/zinc/50/87/94/938508794.db2.gz ALTNOYRYYDJDRS-QGZVFWFLSA-N 2 2 404.986 4.322 20 0 HIADLP Cc1nc([C@@H](C)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)oc1-c1ccc(Cl)cc1 ZINC000538120391 938508800 /nfs/dbraw/zinc/50/88/00/938508800.db2.gz ALTNOYRYYDJDRS-QGZVFWFLSA-N 2 2 404.986 4.322 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(CC[N@@H+](C)C4CC4)c3)cn2c1 ZINC000538233324 938567405 /nfs/dbraw/zinc/56/74/05/938567405.db2.gz QJNQSCUZGPQFIF-UHFFFAOYSA-N 2 2 408.571 4.151 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(CC[N@H+](C)C4CC4)c3)cn2c1 ZINC000538233324 938567412 /nfs/dbraw/zinc/56/74/12/938567412.db2.gz QJNQSCUZGPQFIF-UHFFFAOYSA-N 2 2 408.571 4.151 20 0 HIADLP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1c(F)cccc1Cl ZINC000538277973 938582154 /nfs/dbraw/zinc/58/21/54/938582154.db2.gz GVQXVWFLLWBIDZ-INIZCTEOSA-N 2 2 403.929 4.042 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538325882 938593625 /nfs/dbraw/zinc/59/36/25/938593625.db2.gz HTOVPDAEBMYVRL-XZOQPEGZSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538325882 938593627 /nfs/dbraw/zinc/59/36/27/938593627.db2.gz HTOVPDAEBMYVRL-XZOQPEGZSA-N 2 2 400.611 4.358 20 0 HIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000538557259 938648572 /nfs/dbraw/zinc/64/85/72/938648572.db2.gz IVGMKQWEFXAZNI-PGRDOPGGSA-N 2 2 424.593 4.269 20 0 HIADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000538740033 938698140 /nfs/dbraw/zinc/69/81/40/938698140.db2.gz CBFXTEAGNPJKHZ-UHFFFAOYSA-N 2 2 420.956 4.337 20 0 HIADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000538740033 938698143 /nfs/dbraw/zinc/69/81/43/938698143.db2.gz CBFXTEAGNPJKHZ-UHFFFAOYSA-N 2 2 420.956 4.337 20 0 HIADLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000538849806 938724682 /nfs/dbraw/zinc/72/46/82/938724682.db2.gz URPGNQAOMGNJNE-UHFFFAOYSA-N 3 2 415.025 4.222 20 0 HIADLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000538849806 938724684 /nfs/dbraw/zinc/72/46/84/938724684.db2.gz URPGNQAOMGNJNE-UHFFFAOYSA-N 3 2 415.025 4.222 20 0 HIADLP COc1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2OC)cc1 ZINC000539043958 938780592 /nfs/dbraw/zinc/78/05/92/938780592.db2.gz ZJRGZRVSKQEGHG-VWLOTQADSA-N 2 2 403.526 4.447 20 0 HIADLP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539060102 938787092 /nfs/dbraw/zinc/78/70/92/938787092.db2.gz NCHJXMOTEWGHMC-DLBZAZTESA-N 2 2 403.448 4.393 20 0 HIADLP Cc1cc2cccnc2c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539428773 938859441 /nfs/dbraw/zinc/85/94/41/938859441.db2.gz JPDLGYKTGWTKSE-PKTZIBPZSA-N 2 2 423.605 4.344 20 0 HIADLP Cc1cc2cccnc2c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539428773 938859442 /nfs/dbraw/zinc/85/94/42/938859442.db2.gz JPDLGYKTGWTKSE-PKTZIBPZSA-N 2 2 423.605 4.344 20 0 HIADLP Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000539454654 938863046 /nfs/dbraw/zinc/86/30/46/938863046.db2.gz NHOSCASFLOUCAJ-VQTJNVASSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000539454654 938863047 /nfs/dbraw/zinc/86/30/47/938863047.db2.gz NHOSCASFLOUCAJ-VQTJNVASSA-N 2 2 407.002 4.449 20 0 HIADLP COc1cc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1OC(F)F ZINC000539692001 938903086 /nfs/dbraw/zinc/90/30/86/938903086.db2.gz WFWZMZWWVQFPHY-HNNXBMFYSA-N 2 2 420.504 4.395 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000539818390 938942045 /nfs/dbraw/zinc/94/20/45/938942045.db2.gz YVJQSCBPQOYIOD-QFBILLFUSA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000539818390 938942048 /nfs/dbraw/zinc/94/20/48/938942048.db2.gz YVJQSCBPQOYIOD-QFBILLFUSA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000539818390 938942056 /nfs/dbraw/zinc/94/20/56/938942056.db2.gz YVJQSCBPQOYIOD-QFBILLFUSA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000539818390 938942061 /nfs/dbraw/zinc/94/20/61/938942061.db2.gz YVJQSCBPQOYIOD-QFBILLFUSA-N 2 2 413.400 4.027 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000540410507 939239130 /nfs/dbraw/zinc/23/91/30/939239130.db2.gz ONBVAIUFTGSSMW-DLBZAZTESA-N 2 2 423.536 4.028 20 0 HIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)c(F)c1 ZINC000540757029 939361598 /nfs/dbraw/zinc/36/15/98/939361598.db2.gz FPTDBYSKMTVIBZ-CZUORRHYSA-N 2 2 407.331 4.297 20 0 HIADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000540991905 939427118 /nfs/dbraw/zinc/42/71/18/939427118.db2.gz OPWMPZPWUVAONX-JYFHCDHNSA-N 2 2 413.521 4.274 20 0 HIADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000540991905 939427120 /nfs/dbraw/zinc/42/71/20/939427120.db2.gz OPWMPZPWUVAONX-JYFHCDHNSA-N 2 2 413.521 4.274 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000541454466 939521018 /nfs/dbraw/zinc/52/10/18/939521018.db2.gz NBBOZEODVXITAT-AKIFATBCSA-N 2 2 406.574 4.055 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000541454466 939521024 /nfs/dbraw/zinc/52/10/24/939521024.db2.gz NBBOZEODVXITAT-AKIFATBCSA-N 2 2 406.574 4.055 20 0 HIADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)c2)CCO1 ZINC000541548357 939551513 /nfs/dbraw/zinc/55/15/13/939551513.db2.gz BWCBZGUZKDWNJC-DFBJGRDBSA-N 2 2 405.517 4.321 20 0 HIADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)c2)CCO1 ZINC000541548357 939551515 /nfs/dbraw/zinc/55/15/15/939551515.db2.gz BWCBZGUZKDWNJC-DFBJGRDBSA-N 2 2 405.517 4.321 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541602859 939566091 /nfs/dbraw/zinc/56/60/91/939566091.db2.gz BZHRZFIHKPMYKJ-GNADVCDUSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541602859 939566093 /nfs/dbraw/zinc/56/60/93/939566093.db2.gz BZHRZFIHKPMYKJ-GNADVCDUSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541602859 939566095 /nfs/dbraw/zinc/56/60/95/939566095.db2.gz BZHRZFIHKPMYKJ-GNADVCDUSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541602859 939566097 /nfs/dbraw/zinc/56/60/97/939566097.db2.gz BZHRZFIHKPMYKJ-GNADVCDUSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603388 939566738 /nfs/dbraw/zinc/56/67/38/939566738.db2.gz SVVNLCBNZVIJAF-HZPDHXFCSA-N 2 2 423.395 4.353 20 0 HIADLP C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603388 939566739 /nfs/dbraw/zinc/56/67/39/939566739.db2.gz SVVNLCBNZVIJAF-HZPDHXFCSA-N 2 2 423.395 4.353 20 0 HIADLP COC(=O)c1coc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000541775512 939627413 /nfs/dbraw/zinc/62/74/13/939627413.db2.gz SPAJQACYHXWIMK-HNAYVOBHSA-N 2 2 410.436 4.258 20 0 HIADLP COC(=O)c1coc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000541775512 939627418 /nfs/dbraw/zinc/62/74/18/939627418.db2.gz SPAJQACYHXWIMK-HNAYVOBHSA-N 2 2 410.436 4.258 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000541908899 939651865 /nfs/dbraw/zinc/65/18/65/939651865.db2.gz OGWKRTWQAWFSHO-INIZCTEOSA-N 2 2 405.384 4.142 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000541908899 939651866 /nfs/dbraw/zinc/65/18/66/939651866.db2.gz OGWKRTWQAWFSHO-INIZCTEOSA-N 2 2 405.384 4.142 20 0 HIADLP Cc1cccc([C@@H]2CCC[NH+]2CC2(C[N@H+]3CCC[C@H]3c3cccc(C)n3)COC2)n1 ZINC000542000893 939677180 /nfs/dbraw/zinc/67/71/80/939677180.db2.gz WKPGXLVVHSAHRA-ZEQRLZLVSA-N 2 2 406.574 4.084 20 0 HIADLP Cc1cccc([C@@H]2CCC[NH+]2CC2(C[N@@H+]3CCC[C@H]3c3cccc(C)n3)COC2)n1 ZINC000542000893 939677181 /nfs/dbraw/zinc/67/71/81/939677181.db2.gz WKPGXLVVHSAHRA-ZEQRLZLVSA-N 2 2 406.574 4.084 20 0 HIADLP C[C@H]1C[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000542113681 939719004 /nfs/dbraw/zinc/71/90/04/939719004.db2.gz XNTHCCRDDKRNQG-XUZZJYLKSA-N 2 2 423.605 4.138 20 0 HIADLP C[C@H]1C[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000542113681 939719005 /nfs/dbraw/zinc/71/90/05/939719005.db2.gz XNTHCCRDDKRNQG-XUZZJYLKSA-N 2 2 423.605 4.138 20 0 HIADLP CN(C(=O)c1ccc(-c2cccs2)o1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542180613 939746879 /nfs/dbraw/zinc/74/68/79/939746879.db2.gz CRQFDDBVOBQXLK-RTBURBONSA-N 2 2 415.603 4.417 20 0 HIADLP CN(C(=O)c1ccc(-c2cccs2)o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542180613 939746884 /nfs/dbraw/zinc/74/68/84/939746884.db2.gz CRQFDDBVOBQXLK-RTBURBONSA-N 2 2 415.603 4.417 20 0 HIADLP FC(F)(F)c1ccc(N2CCC([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)nc1 ZINC000542320357 939800032 /nfs/dbraw/zinc/80/00/32/939800032.db2.gz PZOKAKLKAPZHBG-UHFFFAOYSA-N 2 2 407.465 4.106 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542353907 939806056 /nfs/dbraw/zinc/80/60/56/939806056.db2.gz MQTICOMFWIAKTH-NFBKMPQASA-N 2 2 420.601 4.226 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542353907 939806059 /nfs/dbraw/zinc/80/60/59/939806059.db2.gz MQTICOMFWIAKTH-NFBKMPQASA-N 2 2 420.601 4.226 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542485956 939831509 /nfs/dbraw/zinc/83/15/09/939831509.db2.gz VMWJKIOHXXWWNT-FQEVSTJZSA-N 2 2 402.420 4.168 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542485956 939831511 /nfs/dbraw/zinc/83/15/11/939831511.db2.gz VMWJKIOHXXWWNT-FQEVSTJZSA-N 2 2 402.420 4.168 20 0 HIADLP C[C@H]([NH2+][C@@H](C(=O)NCc1ccccc1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529070 939837600 /nfs/dbraw/zinc/83/76/00/939837600.db2.gz LUKYSPUMCNIUBJ-GRYUFTJMSA-N 2 2 405.586 4.287 20 0 HIADLP C[C@H]([NH2+][C@@H](C(=O)NCc1ccccc1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529070 939837602 /nfs/dbraw/zinc/83/76/02/939837602.db2.gz LUKYSPUMCNIUBJ-GRYUFTJMSA-N 2 2 405.586 4.287 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)c2)cc[nH+]1 ZINC000542613297 939848523 /nfs/dbraw/zinc/84/85/23/939848523.db2.gz SIMVIDSBOYRMMK-UHFFFAOYSA-N 2 2 415.541 4.288 20 0 HIADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000543060012 939913596 /nfs/dbraw/zinc/91/35/96/939913596.db2.gz QTROIIGXFJGNPK-XMMPIXPASA-N 2 2 422.598 4.343 20 0 HIADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060756 939913670 /nfs/dbraw/zinc/91/36/70/939913670.db2.gz LENJVUHHOJDMCK-IBGZPJMESA-N 2 2 408.546 4.341 20 0 HIADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060759 939914910 /nfs/dbraw/zinc/91/49/10/939914910.db2.gz LENJVUHHOJDMCK-LJQANCHMSA-N 2 2 408.546 4.341 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3cccnc3)c3ccc(F)cc3F)[nH+]c2)C1 ZINC000544384586 940407692 /nfs/dbraw/zinc/40/76/92/940407692.db2.gz XOIHZDLCJNLUMF-XXBNENTESA-N 2 2 409.484 4.097 20 0 HIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000544504931 940458979 /nfs/dbraw/zinc/45/89/79/940458979.db2.gz JPVPIAGKNROFSM-VXKWHMMOSA-N 2 2 409.578 4.028 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000544579228 940483738 /nfs/dbraw/zinc/48/37/38/940483738.db2.gz NRPQKPRVAYHJGT-ZEQRLZLVSA-N 2 2 423.582 4.115 20 0 HIADLP C[C@@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000545157729 940552193 /nfs/dbraw/zinc/55/21/93/940552193.db2.gz LZOBMAOUHSMWRB-UZUQRXQVSA-N 2 2 412.965 4.454 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000545209221 940555882 /nfs/dbraw/zinc/55/58/82/940555882.db2.gz OYRGSVFHRSBFFO-AZUAARDMSA-N 2 2 412.496 4.349 20 0 HIADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)nc[nH+]1 ZINC000545458060 940570791 /nfs/dbraw/zinc/57/07/91/940570791.db2.gz RRMLSVDLVOTCBN-NHCUHLMSSA-N 2 2 422.964 4.109 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000563970220 945332778 /nfs/dbraw/zinc/33/27/78/945332778.db2.gz FHZIUVLHPUKQGR-MRXNPFEDSA-N 2 2 412.921 4.100 20 0 HIADLP COc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)CC3 ZINC000546606742 940860682 /nfs/dbraw/zinc/86/06/82/940860682.db2.gz XCXSDBQZDZXSIE-QGZVFWFLSA-N 2 2 419.573 4.071 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cc2)C(C)C)CC1 ZINC000546622914 940861990 /nfs/dbraw/zinc/86/19/90/940861990.db2.gz AOGCWUBPKNQEPQ-FQEVSTJZSA-N 2 2 400.485 4.410 20 0 HIADLP Cc1cccc(C)c1[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000546911797 940910697 /nfs/dbraw/zinc/91/06/97/940910697.db2.gz QBMKTAHNPJSHFT-ACIOBRDBSA-N 2 2 414.638 4.343 20 0 HIADLP Cc1cccc(C)c1[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000546911797 940910703 /nfs/dbraw/zinc/91/07/03/940910703.db2.gz QBMKTAHNPJSHFT-ACIOBRDBSA-N 2 2 414.638 4.343 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000548931547 941130280 /nfs/dbraw/zinc/13/02/80/941130280.db2.gz PMVVLEKECKDFBA-ILBGXUMGSA-N 2 2 405.586 4.144 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000548931547 941130282 /nfs/dbraw/zinc/13/02/82/941130282.db2.gz PMVVLEKECKDFBA-ILBGXUMGSA-N 2 2 405.586 4.144 20 0 HIADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548931712 941130309 /nfs/dbraw/zinc/13/03/09/941130309.db2.gz YFAZDMYBWIHCRA-XXBNENTESA-N 2 2 411.565 4.235 20 0 HIADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548931712 941130310 /nfs/dbraw/zinc/13/03/10/941130310.db2.gz YFAZDMYBWIHCRA-XXBNENTESA-N 2 2 411.565 4.235 20 0 HIADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000549461398 941192428 /nfs/dbraw/zinc/19/24/28/941192428.db2.gz DIAVBXNURIFVBY-UHFFFAOYSA-N 2 2 406.555 4.041 20 0 HIADLP CC(C)[N@@H+]1CCCC[C@H]1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000549618627 941201576 /nfs/dbraw/zinc/20/15/76/941201576.db2.gz RKOXXYJOCAZPEI-NRFANRHFSA-N 2 2 413.635 4.277 20 0 HIADLP CC(C)[N@H+]1CCCC[C@H]1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000549618627 941201577 /nfs/dbraw/zinc/20/15/77/941201577.db2.gz RKOXXYJOCAZPEI-NRFANRHFSA-N 2 2 413.635 4.277 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c2ccccc21 ZINC000549627471 941201983 /nfs/dbraw/zinc/20/19/83/941201983.db2.gz SCWBQTGWUHCTLM-NTUVXCKYSA-N 2 2 407.558 4.378 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)C[C@H]1c1ccccc1 ZINC000551007098 941394444 /nfs/dbraw/zinc/39/44/44/941394444.db2.gz CYTWMDNTMMRPKE-ZCYQVOJMSA-N 2 2 417.553 4.465 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)C[C@H]1c1ccccc1 ZINC000551007098 941394449 /nfs/dbraw/zinc/39/44/49/941394449.db2.gz CYTWMDNTMMRPKE-ZCYQVOJMSA-N 2 2 417.553 4.465 20 0 HIADLP Cc1c(Br)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1Br ZINC000551188447 941425219 /nfs/dbraw/zinc/42/52/19/941425219.db2.gz NSJGJRCTDZFESE-LLVKDONJSA-N 2 2 401.146 4.142 20 0 HIADLP C[NH+](C)Cc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1F ZINC000551787818 941545659 /nfs/dbraw/zinc/54/56/59/941545659.db2.gz YYAFGIVZCPRXLE-QHCPKHFHSA-N 2 2 409.480 4.496 20 0 HIADLP COc1ccc([C@@H](Cc2ccncc2)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000552067138 941578551 /nfs/dbraw/zinc/57/85/51/941578551.db2.gz AAAHYABIYQFZJM-ISKFKSNPSA-N 2 2 417.557 4.021 20 0 HIADLP Cn1ccnc1[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000552279349 941621140 /nfs/dbraw/zinc/62/11/40/941621140.db2.gz BNDNNDUEIFOGBJ-HSZRJFAPSA-N 2 2 424.976 4.427 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc(OC)c1OCc1ccccc1 ZINC000552357665 941643308 /nfs/dbraw/zinc/64/33/08/941643308.db2.gz LXSNMCZPSRCWJK-RUZDIDTESA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc(OC)c1OCc1ccccc1 ZINC000552357665 941643310 /nfs/dbraw/zinc/64/33/10/941643310.db2.gz LXSNMCZPSRCWJK-RUZDIDTESA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc(OC)c1OCc1ccccc1 ZINC000552357665 941643313 /nfs/dbraw/zinc/64/33/13/941643313.db2.gz LXSNMCZPSRCWJK-RUZDIDTESA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc(OC)c1OCc1ccccc1 ZINC000552357665 941643314 /nfs/dbraw/zinc/64/33/14/941643314.db2.gz LXSNMCZPSRCWJK-RUZDIDTESA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC1CCCC1 ZINC000552536523 941700417 /nfs/dbraw/zinc/70/04/17/941700417.db2.gz IGXSXSSAHBNHKE-CVDCTZTESA-N 2 2 409.574 4.412 20 0 HIADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OC1CCCC1 ZINC000552536523 941700421 /nfs/dbraw/zinc/70/04/21/941700421.db2.gz IGXSXSSAHBNHKE-CVDCTZTESA-N 2 2 409.574 4.412 20 0 HIADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)Nc1nccs1 ZINC000552930017 941804731 /nfs/dbraw/zinc/80/47/31/941804731.db2.gz JMRUUZKOTSIBMG-RLLQIKCJSA-N 2 2 400.592 4.139 20 0 HIADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)Nc1nccs1 ZINC000552930017 941804732 /nfs/dbraw/zinc/80/47/32/941804732.db2.gz JMRUUZKOTSIBMG-RLLQIKCJSA-N 2 2 400.592 4.139 20 0 HIADLP CCC[C@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000553555852 941908385 /nfs/dbraw/zinc/90/83/85/941908385.db2.gz CUNAFOIKHGITKK-ZEQRLZLVSA-N 2 2 416.569 4.445 20 0 HIADLP CCC[C@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000553555852 941908391 /nfs/dbraw/zinc/90/83/91/941908391.db2.gz CUNAFOIKHGITKK-ZEQRLZLVSA-N 2 2 416.569 4.445 20 0 HIADLP C[C@H](c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000554838902 942276755 /nfs/dbraw/zinc/27/67/55/942276755.db2.gz PBPJUPCPXJEMNC-ZHRMCQFGSA-N 2 2 410.562 4.011 20 0 HIADLP C[C@H](c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000554838902 942276769 /nfs/dbraw/zinc/27/67/69/942276769.db2.gz PBPJUPCPXJEMNC-ZHRMCQFGSA-N 2 2 410.562 4.011 20 0 HIADLP Clc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)cn2)c1 ZINC000554884628 942307220 /nfs/dbraw/zinc/30/72/20/942307220.db2.gz VZZBDLXKXOCXNB-UHFFFAOYSA-N 2 2 405.727 4.396 20 0 HIADLP Clc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)cn2)c1 ZINC000554884628 942307227 /nfs/dbraw/zinc/30/72/27/942307227.db2.gz VZZBDLXKXOCXNB-UHFFFAOYSA-N 2 2 405.727 4.396 20 0 HIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000555412751 942521150 /nfs/dbraw/zinc/52/11/50/942521150.db2.gz LQRZWRFRLMXOSU-QFIPXVFZSA-N 2 2 424.482 4.344 20 0 HIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000555412751 942521153 /nfs/dbraw/zinc/52/11/53/942521153.db2.gz LQRZWRFRLMXOSU-QFIPXVFZSA-N 2 2 424.482 4.344 20 0 HIADLP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)cs1 ZINC000556094363 942804646 /nfs/dbraw/zinc/80/46/46/942804646.db2.gz SKKIMXZIWZQUSS-GGAORHGYSA-N 3 2 412.647 4.343 20 0 HIADLP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)cs1 ZINC000556094363 942804647 /nfs/dbraw/zinc/80/46/47/942804647.db2.gz SKKIMXZIWZQUSS-GGAORHGYSA-N 3 2 412.647 4.343 20 0 HIADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000556925023 942968269 /nfs/dbraw/zinc/96/82/69/942968269.db2.gz XJCXUJUVSGQLIX-KBRMVUAJSA-N 2 2 411.615 4.014 20 0 HIADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000556925023 942968274 /nfs/dbraw/zinc/96/82/74/942968274.db2.gz XJCXUJUVSGQLIX-KBRMVUAJSA-N 2 2 411.615 4.014 20 0 HIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C[C@@H]1c1ccccc1 ZINC000559738580 944041451 /nfs/dbraw/zinc/04/14/51/944041451.db2.gz BIJIISWWMNTBMK-ZJSXRUAMSA-N 2 2 400.526 4.259 20 0 HIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C[C@@H]1c1ccccc1 ZINC000559738580 944041457 /nfs/dbraw/zinc/04/14/57/944041457.db2.gz BIJIISWWMNTBMK-ZJSXRUAMSA-N 2 2 400.526 4.259 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC000559794374 944052694 /nfs/dbraw/zinc/05/26/94/944052694.db2.gz MQRZQEWPSBYGMI-UHFFFAOYSA-N 2 2 405.995 4.167 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC000559794374 944052705 /nfs/dbraw/zinc/05/27/05/944052705.db2.gz MQRZQEWPSBYGMI-UHFFFAOYSA-N 2 2 405.995 4.167 20 0 HIADLP CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)c2C1 ZINC000559961282 944100558 /nfs/dbraw/zinc/10/05/58/944100558.db2.gz SMMDPIMHDYCCGR-KRWDZBQOSA-N 2 2 401.576 4.053 20 0 HIADLP CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)c2C1 ZINC000559961282 944100559 /nfs/dbraw/zinc/10/05/59/944100559.db2.gz SMMDPIMHDYCCGR-KRWDZBQOSA-N 2 2 401.576 4.053 20 0 HIADLP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1O2 ZINC000561224993 944518398 /nfs/dbraw/zinc/51/83/98/944518398.db2.gz VEWUUEGUSRRILT-HSZRJFAPSA-N 3 2 402.542 4.009 20 0 HIADLP C[NH+](C)CCCC1CC[NH+](Cc2c(Br)cncc2Br)CC1 ZINC000564664229 945721492 /nfs/dbraw/zinc/72/14/92/945721492.db2.gz LLCBDWXFDDLZJL-UHFFFAOYSA-N 2 2 419.205 4.160 20 0 HIADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000565449119 945832735 /nfs/dbraw/zinc/83/27/35/945832735.db2.gz DBMCHLDMNACPRU-HXUWFJFHSA-N 2 2 401.489 4.357 20 0 HIADLP C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000565906276 945910863 /nfs/dbraw/zinc/91/08/63/945910863.db2.gz SSLCAWPUOOJDOB-CYFREDJKSA-N 2 2 409.549 4.132 20 0 HIADLP C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000565906301 945911263 /nfs/dbraw/zinc/91/12/63/945911263.db2.gz SSLCAWPUOOJDOB-YADARESESA-N 2 2 409.549 4.132 20 0 HIADLP Cc1cc([C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2cccc(Cl)c2)c(C)s1 ZINC000567088603 946239037 /nfs/dbraw/zinc/23/90/37/946239037.db2.gz QFIBAFRYAYIPQZ-WIYYLYMNSA-N 2 2 420.022 4.285 20 0 HIADLP Cc1cc([C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2cccc(Cl)c2)c(C)s1 ZINC000567088603 946239047 /nfs/dbraw/zinc/23/90/47/946239047.db2.gz QFIBAFRYAYIPQZ-WIYYLYMNSA-N 2 2 420.022 4.285 20 0 HIADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000569711681 946952698 /nfs/dbraw/zinc/95/26/98/946952698.db2.gz KGGDURHGKGMCQZ-SQJMNOBHSA-N 2 2 419.613 4.211 20 0 HIADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000569711681 946952728 /nfs/dbraw/zinc/95/27/28/946952728.db2.gz KGGDURHGKGMCQZ-SQJMNOBHSA-N 2 2 419.613 4.211 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000570367098 947221760 /nfs/dbraw/zinc/22/17/60/947221760.db2.gz MHXQNEAMHWKYLN-UHFFFAOYSA-N 2 2 422.356 4.199 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)c2C)cc1 ZINC000572167259 947854991 /nfs/dbraw/zinc/85/49/91/947854991.db2.gz YKDVQCYLPSFVER-UHFFFAOYSA-N 2 2 421.589 4.446 20 0 HIADLP COc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1OC(F)F ZINC000573532748 948234476 /nfs/dbraw/zinc/23/44/76/948234476.db2.gz VEYGXUSCEPVXPF-ICSRJNTNSA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1OC(F)F ZINC000573532748 948234487 /nfs/dbraw/zinc/23/44/87/948234487.db2.gz VEYGXUSCEPVXPF-ICSRJNTNSA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1OC(F)F ZINC000573532748 948234497 /nfs/dbraw/zinc/23/44/97/948234497.db2.gz VEYGXUSCEPVXPF-ICSRJNTNSA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1OC(F)F ZINC000573532748 948234510 /nfs/dbraw/zinc/23/45/10/948234510.db2.gz VEYGXUSCEPVXPF-ICSRJNTNSA-N 2 2 402.485 4.251 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@@H](C)c1ccccc1 ZINC000573604913 948248318 /nfs/dbraw/zinc/24/83/18/948248318.db2.gz PYBJHMASSWBLKN-QZTJIDSGSA-N 2 2 400.592 4.095 20 0 HIADLP C[NH+]1CCC(CNC(=O)C2(Cc3cccs3)CCCCC2)([NH+]2CCCCC2)CC1 ZINC000575033251 948579555 /nfs/dbraw/zinc/57/95/55/948579555.db2.gz VQUFRBNMZOJGIC-UHFFFAOYSA-N 2 2 417.663 4.308 20 0 HIADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001164835228 720590913 /nfs/dbraw/zinc/59/09/13/720590913.db2.gz AQIMCIDJQAEXJO-CQOQZXRMSA-N 2 2 422.621 4.407 20 0 HIADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001164835228 720590923 /nfs/dbraw/zinc/59/09/23/720590923.db2.gz AQIMCIDJQAEXJO-CQOQZXRMSA-N 2 2 422.621 4.407 20 0 HIADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc(C2CCCCC2)[nH+]1 ZINC001164810545 721572857 /nfs/dbraw/zinc/57/28/57/721572857.db2.gz YRNHBFJYHWAWBB-SONWIMMPSA-N 2 2 421.589 4.096 20 0 HIADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc(C2CCCCC2)[nH+]1 ZINC001164810545 721572858 /nfs/dbraw/zinc/57/28/58/721572858.db2.gz YRNHBFJYHWAWBB-SONWIMMPSA-N 2 2 421.589 4.096 20 0 HIADLP CCOC(=O)c1c(C)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c1C ZINC001165021633 721816419 /nfs/dbraw/zinc/81/64/19/721816419.db2.gz FKHOGQYHRSYWCG-KSEOMHKRSA-N 2 2 422.573 4.007 20 0 HIADLP CCOC(=O)c1c(C)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c1C ZINC001165021633 721816420 /nfs/dbraw/zinc/81/64/20/721816420.db2.gz FKHOGQYHRSYWCG-KSEOMHKRSA-N 2 2 422.573 4.007 20 0 HIADLP CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000010138967 845623160 /nfs/dbraw/zinc/62/31/60/845623160.db2.gz RNRMDLDWIHKATQ-QHCPKHFHSA-N 2 2 415.965 4.098 20 0 HIADLP Brc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000026309196 847122617 /nfs/dbraw/zinc/12/26/17/847122617.db2.gz JOICCTDQLSZPLS-UHFFFAOYSA-N 2 2 422.330 4.288 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000030556022 847734730 /nfs/dbraw/zinc/73/47/30/847734730.db2.gz IJEDLLIVQTVARN-KRWDZBQOSA-N 2 2 400.592 4.469 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000030556022 847734738 /nfs/dbraw/zinc/73/47/38/847734738.db2.gz IJEDLLIVQTVARN-KRWDZBQOSA-N 2 2 400.592 4.469 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000035015695 848142817 /nfs/dbraw/zinc/14/28/17/848142817.db2.gz ZIXZDDDMYVXOHO-UHFFFAOYSA-N 2 2 420.189 4.186 20 0 HIADLP Cc1cc(O)c(C(C)C)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436632175 861875930 /nfs/dbraw/zinc/87/59/30/861875930.db2.gz VRUNLBBZKKBJMD-DHIUTWEWSA-N 2 2 415.622 4.233 20 0 HIADLP Cc1cc(O)c(C(C)C)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436632175 861875931 /nfs/dbraw/zinc/87/59/31/861875931.db2.gz VRUNLBBZKKBJMD-DHIUTWEWSA-N 2 2 415.622 4.233 20 0 HIADLP CC[NH+](CC)Cc1ccccc1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000043507801 848434862 /nfs/dbraw/zinc/43/48/62/848434862.db2.gz URWYCFOFBRXRFM-UHFFFAOYSA-N 2 2 410.587 4.034 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000047676081 849090835 /nfs/dbraw/zinc/09/08/35/849090835.db2.gz AHHOUVTVRVYGDP-UHFFFAOYSA-N 2 2 405.995 4.167 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000047676081 849090848 /nfs/dbraw/zinc/09/08/48/849090848.db2.gz AHHOUVTVRVYGDP-UHFFFAOYSA-N 2 2 405.995 4.167 20 0 HIADLP Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c2)cc1 ZINC000047718484 849098284 /nfs/dbraw/zinc/09/82/84/849098284.db2.gz USDBEMRBHLDGFI-UHFFFAOYSA-N 2 2 410.521 4.401 20 0 HIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000048782586 849268677 /nfs/dbraw/zinc/26/86/77/849268677.db2.gz AZHORKGPSQLBMW-UHFFFAOYSA-N 2 2 406.921 4.321 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(Nc3ncnc4sc(-c5ccccc5)cc43)CC2)CC1 ZINC000050954547 849422091 /nfs/dbraw/zinc/42/20/91/849422091.db2.gz RUUWQURANBDPRU-UHFFFAOYSA-N 2 2 407.587 4.329 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000436847773 862022530 /nfs/dbraw/zinc/02/25/30/862022530.db2.gz GSIUPCWXWDDRML-UHFFFAOYSA-N 2 2 400.548 4.195 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000436847773 862022548 /nfs/dbraw/zinc/02/25/48/862022548.db2.gz GSIUPCWXWDDRML-UHFFFAOYSA-N 2 2 400.548 4.195 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CC(C)(C)C)c3ccccc3)CC2)CC1 ZINC000051760649 849513655 /nfs/dbraw/zinc/51/36/55/849513655.db2.gz GXPYXPNBFRFOFL-QFIPXVFZSA-N 2 2 400.611 4.022 20 0 HIADLP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000437017901 862197788 /nfs/dbraw/zinc/19/77/88/862197788.db2.gz QUDMPDLANNDOBX-LOSJGSFVSA-N 2 2 419.573 4.062 20 0 HIADLP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000437017901 862197790 /nfs/dbraw/zinc/19/77/90/862197790.db2.gz QUDMPDLANNDOBX-LOSJGSFVSA-N 2 2 419.573 4.062 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000060545139 851141281 /nfs/dbraw/zinc/14/12/81/851141281.db2.gz VFZBUUMQLYRKHH-GOSISDBHSA-N 2 2 424.589 4.281 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000060545139 851141284 /nfs/dbraw/zinc/14/12/84/851141284.db2.gz VFZBUUMQLYRKHH-GOSISDBHSA-N 2 2 424.589 4.281 20 0 HIADLP CC1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000060673526 851186005 /nfs/dbraw/zinc/18/60/05/851186005.db2.gz DNCYZAQKOUOJMX-UHFFFAOYSA-N 2 2 402.542 4.093 20 0 HIADLP Fc1ccc(-c2ccc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)o2)cc1 ZINC000065014101 852039662 /nfs/dbraw/zinc/03/96/62/852039662.db2.gz FHJSZCNEIAIAEB-UHFFFAOYSA-N 2 2 410.489 4.087 20 0 HIADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065791201 852257905 /nfs/dbraw/zinc/25/79/05/852257905.db2.gz CCJOLEZWHDTGJA-DEOSSOPVSA-N 2 2 416.569 4.134 20 0 HIADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065791201 852257913 /nfs/dbraw/zinc/25/79/13/852257913.db2.gz CCJOLEZWHDTGJA-DEOSSOPVSA-N 2 2 416.569 4.134 20 0 HIADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2)cc1 ZINC000110574111 853119980 /nfs/dbraw/zinc/11/99/80/853119980.db2.gz DZZPTTRIFBWSCO-UHFFFAOYSA-N 2 2 416.525 4.101 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3SC3CCCC3)CC2)CC1 ZINC000215995206 853841194 /nfs/dbraw/zinc/84/11/94/853841194.db2.gz BZSALPGOGNIJEG-UHFFFAOYSA-N 2 2 416.635 4.401 20 0 HIADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000237101755 853965611 /nfs/dbraw/zinc/96/56/11/853965611.db2.gz FLGPPEUOPHNOMU-UHFFFAOYSA-N 2 2 423.992 4.184 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000237143580 853972387 /nfs/dbraw/zinc/97/23/87/853972387.db2.gz OYPZAHDQZIWCJN-LAUBAEHRSA-N 2 2 415.965 4.492 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000237294063 854000696 /nfs/dbraw/zinc/00/06/96/854000696.db2.gz ZVAJOTCKKBFGAD-UHFFFAOYSA-N 2 2 400.482 4.145 20 0 HIADLP C[C@H](C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1)Cn1cc[nH+]c1 ZINC000237530973 854050639 /nfs/dbraw/zinc/05/06/39/854050639.db2.gz QYHIEPWGSXVMLO-MRXNPFEDSA-N 2 2 415.335 4.046 20 0 HIADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)o1 ZINC000237667383 854071974 /nfs/dbraw/zinc/07/19/74/854071974.db2.gz LWDGTSSMWJGAFL-HNAYVOBHSA-N 2 2 407.480 4.463 20 0 HIADLP O=S(=O)(CC[NH+]1CCC[C@H]1c1ccccc1)CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000250805909 854195360 /nfs/dbraw/zinc/19/53/60/854195360.db2.gz IBFWCSCPAXGEAO-ZEQRLZLVSA-N 2 2 412.599 4.075 20 0 HIADLP O=S(=O)(CC[NH+]1CCC[C@H]1c1ccccc1)CC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000250805909 854195365 /nfs/dbraw/zinc/19/53/65/854195365.db2.gz IBFWCSCPAXGEAO-ZEQRLZLVSA-N 2 2 412.599 4.075 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1Br ZINC000251572095 854198987 /nfs/dbraw/zinc/19/89/87/854198987.db2.gz UVFHRLLVSBCTCF-YUTCNCBUSA-N 2 2 402.174 4.489 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1Br ZINC000251572095 854198995 /nfs/dbraw/zinc/19/89/95/854198995.db2.gz UVFHRLLVSBCTCF-YUTCNCBUSA-N 2 2 402.174 4.489 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000303126265 854773648 /nfs/dbraw/zinc/77/36/48/854773648.db2.gz BBJYHCCCOYMHQC-MPCDZSKCSA-N 2 2 423.576 4.413 20 0 HIADLP O=C(C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)N(Cc1ccccc1)C1CC1 ZINC000303885780 855269969 /nfs/dbraw/zinc/26/99/69/855269969.db2.gz OWZWGHRHHSTJRK-UHFFFAOYSA-N 2 2 414.553 4.276 20 0 HIADLP CC(C)[C@@H](SCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000303935805 855303361 /nfs/dbraw/zinc/30/33/61/855303361.db2.gz CPUFRJROJHMCAX-JOCHJYFZSA-N 2 2 417.663 4.011 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000303937438 855303738 /nfs/dbraw/zinc/30/37/38/855303738.db2.gz DDHBMXMIAVYSFA-ROUUACIJSA-N 2 2 424.416 4.163 20 0 HIADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(Br)c1O ZINC000379624882 855424023 /nfs/dbraw/zinc/42/40/23/855424023.db2.gz KDAXGUWVSHMGFO-MAUKXSAKSA-N 2 2 419.363 4.306 20 0 HIADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(Br)c1O ZINC000379624882 855424028 /nfs/dbraw/zinc/42/40/28/855424028.db2.gz KDAXGUWVSHMGFO-MAUKXSAKSA-N 2 2 419.363 4.306 20 0 HIADLP COc1ccc(Br)c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000381350733 855430026 /nfs/dbraw/zinc/43/00/26/855430026.db2.gz MPKRXXPMHJBNJC-WMZOPIPTSA-N 2 2 403.364 4.458 20 0 HIADLP COc1ccc(Br)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381350733 855430038 /nfs/dbraw/zinc/43/00/38/855430038.db2.gz MPKRXXPMHJBNJC-WMZOPIPTSA-N 2 2 403.364 4.458 20 0 HIADLP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CCS2 ZINC000427593724 856881245 /nfs/dbraw/zinc/88/12/45/856881245.db2.gz LZSZTDUYKKOYSM-JOCHJYFZSA-N 2 2 409.599 4.018 20 0 HIADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCN(c5cccc[nH+]5)CC4)[C@H]3C2)cc1 ZINC000428243439 857124262 /nfs/dbraw/zinc/12/42/62/857124262.db2.gz BTXPUQPNLDRGHG-ZKMPZPQNSA-N 3 2 404.602 4.331 20 0 HIADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCN(c5cccc[nH+]5)CC4)[C@H]3C2)cc1 ZINC000428243439 857124264 /nfs/dbraw/zinc/12/42/64/857124264.db2.gz BTXPUQPNLDRGHG-ZKMPZPQNSA-N 3 2 404.602 4.331 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CCCC1)c1ccccc1 ZINC000428576495 857270163 /nfs/dbraw/zinc/27/01/63/857270163.db2.gz UHEWIINHNNVUMJ-IBGZPJMESA-N 2 2 409.578 4.024 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000428607278 857277326 /nfs/dbraw/zinc/27/73/26/857277326.db2.gz NRTDPDPVWQKDLI-FQEVSTJZSA-N 2 2 411.594 4.093 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000428614193 857278929 /nfs/dbraw/zinc/27/89/29/857278929.db2.gz CXCGMJALJUSDSB-GHTZIAJQSA-N 2 2 417.623 4.012 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000428614193 857278935 /nfs/dbraw/zinc/27/89/35/857278935.db2.gz CXCGMJALJUSDSB-GHTZIAJQSA-N 2 2 417.623 4.012 20 0 HIADLP CCC1(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000428951821 857433325 /nfs/dbraw/zinc/43/33/25/857433325.db2.gz GYCDYYCEYDGCFM-UHFFFAOYSA-N 2 2 423.605 4.053 20 0 HIADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429436671 857667406 /nfs/dbraw/zinc/66/74/06/857667406.db2.gz WWZLPYCTIWBSEB-JTHBVZDNSA-N 2 2 423.601 4.408 20 0 HIADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429436671 857667410 /nfs/dbraw/zinc/66/74/10/857667410.db2.gz WWZLPYCTIWBSEB-JTHBVZDNSA-N 2 2 423.601 4.408 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1cccc(C(F)(F)F)c1 ZINC000429507198 857704671 /nfs/dbraw/zinc/70/46/71/857704671.db2.gz YMEAXUYVBRYNSE-FQEVSTJZSA-N 2 2 422.495 4.280 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000429719487 857849943 /nfs/dbraw/zinc/84/99/43/857849943.db2.gz CMBQLNKIGYLBIM-UHFFFAOYSA-N 2 2 418.335 4.025 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000429816749 857895095 /nfs/dbraw/zinc/89/50/95/857895095.db2.gz HEBUZPFULOLDFV-JKFKMHIGSA-N 2 2 413.993 4.208 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000429816749 857895097 /nfs/dbraw/zinc/89/50/97/857895097.db2.gz HEBUZPFULOLDFV-JKFKMHIGSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000429816749 857895100 /nfs/dbraw/zinc/89/51/00/857895100.db2.gz HEBUZPFULOLDFV-JKFKMHIGSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000429816749 857895101 /nfs/dbraw/zinc/89/51/01/857895101.db2.gz HEBUZPFULOLDFV-JKFKMHIGSA-N 2 2 413.993 4.208 20 0 HIADLP C[C@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@@H+]1CCCC[C@@H]1C ZINC000430160321 858059106 /nfs/dbraw/zinc/05/91/06/858059106.db2.gz JOFAJEPYDRDJNP-RBUKOAKNSA-N 2 2 417.985 4.011 20 0 HIADLP C[C@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@H+]1CCCC[C@@H]1C ZINC000430160321 858059117 /nfs/dbraw/zinc/05/91/17/858059117.db2.gz JOFAJEPYDRDJNP-RBUKOAKNSA-N 2 2 417.985 4.011 20 0 HIADLP CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000430811831 858312832 /nfs/dbraw/zinc/31/28/32/858312832.db2.gz SKKXENFZKXHETQ-DEOSSOPVSA-N 2 2 419.569 4.286 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000430927563 858372553 /nfs/dbraw/zinc/37/25/53/858372553.db2.gz IUQIPVXMPIUKEA-UHFFFAOYSA-N 3 2 414.569 4.109 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000430927563 858372561 /nfs/dbraw/zinc/37/25/61/858372561.db2.gz IUQIPVXMPIUKEA-UHFFFAOYSA-N 3 2 414.569 4.109 20 0 HIADLP CC(C)CC[NH+]1CCC(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000431089820 858442729 /nfs/dbraw/zinc/44/27/29/858442729.db2.gz HPGMOWPRKKNTDV-UHFFFAOYSA-N 2 2 407.628 4.009 20 0 HIADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000431112523 858452123 /nfs/dbraw/zinc/45/21/23/858452123.db2.gz BXLOHWIVMSUGFW-QHCPKHFHSA-N 2 2 409.599 4.319 20 0 HIADLP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000431910842 858867031 /nfs/dbraw/zinc/86/70/31/858867031.db2.gz WTAQUMOAWLIMRH-SFTDATJTSA-N 2 2 414.619 4.014 20 0 HIADLP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000431910842 858867039 /nfs/dbraw/zinc/86/70/39/858867039.db2.gz WTAQUMOAWLIMRH-SFTDATJTSA-N 2 2 414.619 4.014 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc2ccc(F)cc2s1 ZINC000432732927 859325318 /nfs/dbraw/zinc/32/53/18/859325318.db2.gz XZWMOGOQJWEHIK-UHFFFAOYSA-N 3 2 404.599 4.064 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc2ccc(F)cc2s1 ZINC000432732927 859325329 /nfs/dbraw/zinc/32/53/29/859325329.db2.gz XZWMOGOQJWEHIK-UHFFFAOYSA-N 3 2 404.599 4.064 20 0 HIADLP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433055004 859502862 /nfs/dbraw/zinc/50/28/62/859502862.db2.gz XBAPWXFBSOJARZ-GOSISDBHSA-N 2 2 413.512 4.280 20 0 HIADLP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433055004 859502868 /nfs/dbraw/zinc/50/28/68/859502868.db2.gz XBAPWXFBSOJARZ-GOSISDBHSA-N 2 2 413.512 4.280 20 0 HIADLP C[NH+](C)Cc1ccccc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000433225270 859578197 /nfs/dbraw/zinc/57/81/97/859578197.db2.gz GZGNWVCYEBWOGU-HXUWFJFHSA-N 2 2 403.929 4.108 20 0 HIADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433957768 860002298 /nfs/dbraw/zinc/00/22/98/860002298.db2.gz LBNVZKBICGLGMF-UHFFFAOYSA-N 2 2 406.574 4.225 20 0 HIADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434180831 860173437 /nfs/dbraw/zinc/17/34/37/860173437.db2.gz CGRIOLYOBZIMGY-IBGZPJMESA-N 2 2 423.605 4.238 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC000434684274 860459676 /nfs/dbraw/zinc/45/96/76/860459676.db2.gz HUXYQSNYGZQHHL-RUZDIDTESA-N 2 2 420.601 4.447 20 0 HIADLP CCN(C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@H](C)c1ccc(F)cc1 ZINC000434687073 860460695 /nfs/dbraw/zinc/46/06/95/860460695.db2.gz WCMOYUCWENSROD-GOSISDBHSA-N 2 2 412.553 4.148 20 0 HIADLP CC(C)C[C@@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434690690 860462816 /nfs/dbraw/zinc/46/28/16/860462816.db2.gz JIDJATOXRVYDSR-HSZRJFAPSA-N 2 2 408.590 4.302 20 0 HIADLP CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690411 860463333 /nfs/dbraw/zinc/46/33/33/860463333.db2.gz GYKFJARQYMFROD-JOCHJYFZSA-N 2 2 424.589 4.065 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434736916 860476719 /nfs/dbraw/zinc/47/67/19/860476719.db2.gz NOWMJYCGQRZZJJ-HXUWFJFHSA-N 2 2 420.601 4.226 20 0 HIADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(Cl)cc1 ZINC000434751232 860481041 /nfs/dbraw/zinc/48/10/41/860481041.db2.gz CUUHZBQCOCDYFC-IAGOWNOFSA-N 2 2 414.981 4.318 20 0 HIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536852 860850898 /nfs/dbraw/zinc/85/08/98/860850898.db2.gz MJMWKBMZGYZMTF-ZJSPYRCASA-N 2 2 408.586 4.021 20 0 HIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536852 860850903 /nfs/dbraw/zinc/85/09/03/860850903.db2.gz MJMWKBMZGYZMTF-ZJSPYRCASA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536852 860850905 /nfs/dbraw/zinc/85/09/05/860850905.db2.gz MJMWKBMZGYZMTF-ZJSPYRCASA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536852 860850911 /nfs/dbraw/zinc/85/09/11/860850911.db2.gz MJMWKBMZGYZMTF-ZJSPYRCASA-N 2 2 408.586 4.021 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000437970764 863340764 /nfs/dbraw/zinc/34/07/64/863340764.db2.gz CPVITTKXUGQDPS-UHFFFAOYSA-N 2 2 414.525 4.108 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000437970764 863340778 /nfs/dbraw/zinc/34/07/78/863340778.db2.gz CPVITTKXUGQDPS-UHFFFAOYSA-N 2 2 414.525 4.108 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(Br)c1 ZINC000467843542 881686294 /nfs/dbraw/zinc/68/62/94/881686294.db2.gz IVFSHDGAUMLHHQ-KRWDZBQOSA-N 2 2 419.363 4.011 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438477748 863895426 /nfs/dbraw/zinc/89/54/26/863895426.db2.gz METMGGBLRHOTIO-LJQANCHMSA-N 2 2 413.319 4.294 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438477748 863895434 /nfs/dbraw/zinc/89/54/34/863895434.db2.gz METMGGBLRHOTIO-LJQANCHMSA-N 2 2 413.319 4.294 20 0 HIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000439596859 864918197 /nfs/dbraw/zinc/91/81/97/864918197.db2.gz OVQCMOCPPUNYHZ-XMMPIXPASA-N 2 2 403.526 4.021 20 0 HIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000439596859 864918210 /nfs/dbraw/zinc/91/82/10/864918210.db2.gz OVQCMOCPPUNYHZ-XMMPIXPASA-N 2 2 403.526 4.021 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000440815228 865932742 /nfs/dbraw/zinc/93/27/42/865932742.db2.gz HSVCAJLRSPONQL-FYYLOGMGSA-N 2 2 411.594 4.195 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000440815228 865932746 /nfs/dbraw/zinc/93/27/46/865932746.db2.gz HSVCAJLRSPONQL-FYYLOGMGSA-N 2 2 411.594 4.195 20 0 HIADLP CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000441348319 866417717 /nfs/dbraw/zinc/41/77/17/866417717.db2.gz BYKNOEQFLAWNPS-RUZDIDTESA-N 2 2 423.601 4.109 20 0 HIADLP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000441348319 866417723 /nfs/dbraw/zinc/41/77/23/866417723.db2.gz BYKNOEQFLAWNPS-RUZDIDTESA-N 2 2 423.601 4.109 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)c(C)c1 ZINC000441364835 866433837 /nfs/dbraw/zinc/43/38/37/866433837.db2.gz NRHOZAREEGXIIS-CYFREDJKSA-N 2 2 413.525 4.406 20 0 HIADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441407344 866482139 /nfs/dbraw/zinc/48/21/39/866482139.db2.gz GWXWOJMHZALYJD-JXFKEZNVSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441407344 866482140 /nfs/dbraw/zinc/48/21/40/866482140.db2.gz GWXWOJMHZALYJD-JXFKEZNVSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1cc2cccnc2c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441407344 866482141 /nfs/dbraw/zinc/48/21/41/866482141.db2.gz GWXWOJMHZALYJD-JXFKEZNVSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1cc2cccnc2c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441407344 866482142 /nfs/dbraw/zinc/48/21/42/866482142.db2.gz GWXWOJMHZALYJD-JXFKEZNVSA-N 2 2 400.364 4.446 20 0 HIADLP CC[N@@H+](Cc1csc(Nc2ccccc2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441608623 866704713 /nfs/dbraw/zinc/70/47/13/866704713.db2.gz DPELDFXWKHVYND-UHFFFAOYSA-N 2 2 407.587 5.020 20 0 HIADLP CC[N@H+](Cc1csc(Nc2ccccc2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441608623 866704728 /nfs/dbraw/zinc/70/47/28/866704728.db2.gz DPELDFXWKHVYND-UHFFFAOYSA-N 2 2 407.587 5.020 20 0 HIADLP CC[N@H+](C[C@@H](O)CO[C@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616941 866715278 /nfs/dbraw/zinc/71/52/78/866715278.db2.gz CCBLVSCTUZVSRW-NOZRDPDXSA-N 2 2 423.601 4.075 20 0 HIADLP CC[N@@H+](C[C@@H](O)CO[C@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616941 866715291 /nfs/dbraw/zinc/71/52/91/866715291.db2.gz CCBLVSCTUZVSRW-NOZRDPDXSA-N 2 2 423.601 4.075 20 0 HIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441904825 866968772 /nfs/dbraw/zinc/96/87/72/866968772.db2.gz ICBVCEXFPGDJHS-QGZVFWFLSA-N 2 2 415.379 4.070 20 0 HIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441904825 866968792 /nfs/dbraw/zinc/96/87/92/866968792.db2.gz ICBVCEXFPGDJHS-QGZVFWFLSA-N 2 2 415.379 4.070 20 0 HIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441904825 866968810 /nfs/dbraw/zinc/96/88/10/866968810.db2.gz ICBVCEXFPGDJHS-QGZVFWFLSA-N 2 2 415.379 4.070 20 0 HIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441904825 866968831 /nfs/dbraw/zinc/96/88/31/866968831.db2.gz ICBVCEXFPGDJHS-QGZVFWFLSA-N 2 2 415.379 4.070 20 0 HIADLP Brc1ccc(-c2nccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000441909693 866974992 /nfs/dbraw/zinc/97/49/92/866974992.db2.gz USEQINBGVKFGLL-QGZVFWFLSA-N 2 2 415.379 4.214 20 0 HIADLP Brc1ccc(-c2nccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000441909693 866975015 /nfs/dbraw/zinc/97/50/15/866975015.db2.gz USEQINBGVKFGLL-QGZVFWFLSA-N 2 2 415.379 4.214 20 0 HIADLP COCCC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000442854400 867698590 /nfs/dbraw/zinc/69/85/90/867698590.db2.gz ANGPAAZAHRLELP-ZEQRLZLVSA-N 2 2 400.538 4.174 20 0 HIADLP COCCC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000442854400 867698593 /nfs/dbraw/zinc/69/85/93/867698593.db2.gz ANGPAAZAHRLELP-ZEQRLZLVSA-N 2 2 400.538 4.174 20 0 HIADLP CCC1(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000444123280 868630741 /nfs/dbraw/zinc/63/07/41/868630741.db2.gz BUBAQAXFWBSARD-QFIPXVFZSA-N 2 2 423.605 4.002 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444216263 868669689 /nfs/dbraw/zinc/66/96/89/868669689.db2.gz UKINJFIUQMFHAG-FCHUYYIVSA-N 2 2 405.586 4.089 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444216263 868669693 /nfs/dbraw/zinc/66/96/93/868669693.db2.gz UKINJFIUQMFHAG-FCHUYYIVSA-N 2 2 405.586 4.089 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000444790721 869007595 /nfs/dbraw/zinc/00/75/95/869007595.db2.gz JHFGXTAZBXLTRP-IRLDBZIGSA-N 2 2 408.590 4.261 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000444790721 869007609 /nfs/dbraw/zinc/00/76/09/869007609.db2.gz JHFGXTAZBXLTRP-IRLDBZIGSA-N 2 2 408.590 4.261 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000444790720 869008782 /nfs/dbraw/zinc/00/87/82/869008782.db2.gz JHFGXTAZBXLTRP-IFMALSPDSA-N 2 2 408.590 4.261 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000444790720 869008785 /nfs/dbraw/zinc/00/87/85/869008785.db2.gz JHFGXTAZBXLTRP-IFMALSPDSA-N 2 2 408.590 4.261 20 0 HIADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444793266 869010522 /nfs/dbraw/zinc/01/05/22/869010522.db2.gz HBFIBKMVHHBJJI-SIKLNZKXSA-N 2 2 402.542 4.218 20 0 HIADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444793266 869010534 /nfs/dbraw/zinc/01/05/34/869010534.db2.gz HBFIBKMVHHBJJI-SIKLNZKXSA-N 2 2 402.542 4.218 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444793309 869011599 /nfs/dbraw/zinc/01/15/99/869011599.db2.gz OWRKBPHSVLDTJZ-PZJWPPBQSA-N 2 2 418.541 4.206 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444793309 869011611 /nfs/dbraw/zinc/01/16/11/869011611.db2.gz OWRKBPHSVLDTJZ-PZJWPPBQSA-N 2 2 418.541 4.206 20 0 HIADLP CCC(CC)(CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000444988510 869145954 /nfs/dbraw/zinc/14/59/54/869145954.db2.gz PVINILCSHNOYFX-PZJWPPBQSA-N 2 2 411.594 4.219 20 0 HIADLP CSc1nnc(CCC[NH2+][C@@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)n1CC(C)C ZINC000468428958 882372612 /nfs/dbraw/zinc/37/26/12/882372612.db2.gz LHGKVHZKJYVTGL-TZIWHRDSSA-N 2 2 415.651 4.089 20 0 HIADLP CSc1nnc(CCC[NH2+][C@@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)n1CC(C)C ZINC000468428958 882372630 /nfs/dbraw/zinc/37/26/30/882372630.db2.gz LHGKVHZKJYVTGL-TZIWHRDSSA-N 2 2 415.651 4.089 20 0 HIADLP Cn1cc([C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccc(F)cc2)cn1 ZINC000447599650 871507729 /nfs/dbraw/zinc/50/77/29/871507729.db2.gz KHEUKXPBICKCHC-NDBXHCKUSA-N 2 2 404.533 4.434 20 0 HIADLP Cn1cc([C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccc(F)cc2)cn1 ZINC000447599650 871507752 /nfs/dbraw/zinc/50/77/52/871507752.db2.gz KHEUKXPBICKCHC-NDBXHCKUSA-N 2 2 404.533 4.434 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000460496430 873181571 /nfs/dbraw/zinc/18/15/71/873181571.db2.gz YZTQNXGJAOJZQR-RBUKOAKNSA-N 2 2 424.416 4.163 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1sccc1Br ZINC000462801221 875850195 /nfs/dbraw/zinc/85/01/95/875850195.db2.gz IHOBXNNAPLGGMM-UHFFFAOYSA-N 3 2 414.457 4.139 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1sccc1Br ZINC000462801221 875850200 /nfs/dbraw/zinc/85/02/00/875850200.db2.gz IHOBXNNAPLGGMM-UHFFFAOYSA-N 3 2 414.457 4.139 20 0 HIADLP CC1CC[NH+](CCC[C@@H]([NH2+]Cc2nnnn2-c2ccccc2)c2ccc(F)cc2)CC1 ZINC000462821853 875860818 /nfs/dbraw/zinc/86/08/18/875860818.db2.gz YYWWIPNRGOSAIE-HSZRJFAPSA-N 2 2 422.552 4.144 20 0 HIADLP Cc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462919739 875947478 /nfs/dbraw/zinc/94/74/78/875947478.db2.gz SBCKBJVRXBOGFY-SFHVURJKSA-N 2 2 410.484 4.126 20 0 HIADLP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc4ccc(Br)cc4o3)C2)[nH+]1 ZINC000463090331 876122722 /nfs/dbraw/zinc/12/27/22/876122722.db2.gz GKQXKLQNAHJRJO-AWEZNQCLSA-N 2 2 401.308 4.228 20 0 HIADLP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc4ccc(Br)cc4o3)C2)[nH+]1 ZINC000463090331 876122727 /nfs/dbraw/zinc/12/27/27/876122727.db2.gz GKQXKLQNAHJRJO-AWEZNQCLSA-N 2 2 401.308 4.228 20 0 HIADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000463129593 876175953 /nfs/dbraw/zinc/17/59/53/876175953.db2.gz KMBSYIWMKCFZAX-NRFANRHFSA-N 2 2 411.556 4.466 20 0 HIADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000463129593 876175960 /nfs/dbraw/zinc/17/59/60/876175960.db2.gz KMBSYIWMKCFZAX-NRFANRHFSA-N 2 2 411.556 4.466 20 0 HIADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000463136582 876185419 /nfs/dbraw/zinc/18/54/19/876185419.db2.gz FIXYGEMIWDDTQE-GOTSBHOMSA-N 3 2 421.629 4.093 20 0 HIADLP Clc1ccccc1CN1CCC([NH2+]CCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000463141503 876193530 /nfs/dbraw/zinc/19/35/30/876193530.db2.gz NJHHYDRPWJQIPC-UHFFFAOYSA-N 2 2 408.977 4.382 20 0 HIADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(O[C@@H]2CCOC2)c1 ZINC000463188048 876246214 /nfs/dbraw/zinc/24/62/14/876246214.db2.gz BGLCKFNRZRDCMV-XMMPIXPASA-N 2 2 412.549 4.099 20 0 HIADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(OC[C@H]2CCCO2)c1 ZINC000463189088 876247516 /nfs/dbraw/zinc/24/75/16/876247516.db2.gz ILBISVIFMVJXOF-RUZDIDTESA-N 2 2 408.586 4.350 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000463710408 876829362 /nfs/dbraw/zinc/82/93/62/876829362.db2.gz ZALIXHXAAUISMJ-AUSIDOKSSA-N 2 2 419.573 4.367 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000463710408 876829375 /nfs/dbraw/zinc/82/93/75/876829375.db2.gz ZALIXHXAAUISMJ-AUSIDOKSSA-N 2 2 419.573 4.367 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801327 878043502 /nfs/dbraw/zinc/04/35/02/878043502.db2.gz DWUVVBYGIFAAKG-UHFFFAOYSA-N 2 2 420.479 4.277 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801327 878043522 /nfs/dbraw/zinc/04/35/22/878043522.db2.gz DWUVVBYGIFAAKG-UHFFFAOYSA-N 2 2 420.479 4.277 20 0 HIADLP CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805437 878049902 /nfs/dbraw/zinc/04/99/02/878049902.db2.gz LKGKIPZUUCYCJL-UHFFFAOYSA-N 2 2 408.590 4.057 20 0 HIADLP CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805437 878049921 /nfs/dbraw/zinc/04/99/21/878049921.db2.gz LKGKIPZUUCYCJL-UHFFFAOYSA-N 2 2 408.590 4.057 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808705 878056176 /nfs/dbraw/zinc/05/61/76/878056176.db2.gz MIDNZKIYMMEMPX-UHFFFAOYSA-N 2 2 422.617 4.367 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808705 878056193 /nfs/dbraw/zinc/05/61/93/878056193.db2.gz MIDNZKIYMMEMPX-UHFFFAOYSA-N 2 2 422.617 4.367 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000464839348 878105828 /nfs/dbraw/zinc/10/58/28/878105828.db2.gz XVCRENLOTNXCLY-JAXLGGSGSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000464839348 878105841 /nfs/dbraw/zinc/10/58/41/878105841.db2.gz XVCRENLOTNXCLY-JAXLGGSGSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000464839348 878105868 /nfs/dbraw/zinc/10/58/68/878105868.db2.gz XVCRENLOTNXCLY-JAXLGGSGSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000464839348 878105889 /nfs/dbraw/zinc/10/58/89/878105889.db2.gz XVCRENLOTNXCLY-JAXLGGSGSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503372905 912353300 /nfs/dbraw/zinc/35/33/00/912353300.db2.gz HWMNOBVKMINTNU-QKNQBKEWSA-N 2 2 406.574 4.155 20 0 HIADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503372905 912353319 /nfs/dbraw/zinc/35/33/19/912353319.db2.gz HWMNOBVKMINTNU-QKNQBKEWSA-N 2 2 406.574 4.155 20 0 HIADLP COCc1cccc(OCC2(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)CC2)c1 ZINC000503410215 912390832 /nfs/dbraw/zinc/39/08/32/912390832.db2.gz LJDLOFKYMPHSHM-NRFANRHFSA-N 2 2 409.574 4.404 20 0 HIADLP COCc1cccc(OCC2(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)CC2)c1 ZINC000503410215 912390854 /nfs/dbraw/zinc/39/08/54/912390854.db2.gz LJDLOFKYMPHSHM-NRFANRHFSA-N 2 2 409.574 4.404 20 0 HIADLP CC[C@@H](C)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466076629 879786319 /nfs/dbraw/zinc/78/63/19/879786319.db2.gz ONCZOXFRRVSDLA-DYESRHJHSA-N 2 2 409.018 4.095 20 0 HIADLP CC[C@@H](C)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466076629 879786331 /nfs/dbraw/zinc/78/63/31/879786331.db2.gz ONCZOXFRRVSDLA-DYESRHJHSA-N 2 2 409.018 4.095 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000466695422 880486372 /nfs/dbraw/zinc/48/63/72/880486372.db2.gz NDGHRHYXCRPVKR-UHFFFAOYSA-N 2 2 423.001 4.009 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000466695422 880486379 /nfs/dbraw/zinc/48/63/79/880486379.db2.gz NDGHRHYXCRPVKR-UHFFFAOYSA-N 2 2 423.001 4.009 20 0 HIADLP Fc1cncc([C@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C2CC2)c1 ZINC000467344993 881098703 /nfs/dbraw/zinc/09/87/03/881098703.db2.gz RQWLFWRAXAPKDQ-JOCHJYFZSA-N 2 2 402.945 4.127 20 0 HIADLP CCCn1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000469368095 883493299 /nfs/dbraw/zinc/49/32/99/883493299.db2.gz UZOCMMHXJMTBIM-BJKOFHAPSA-N 2 2 424.633 4.461 20 0 HIADLP CCCn1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000469368095 883493313 /nfs/dbraw/zinc/49/33/13/883493313.db2.gz UZOCMMHXJMTBIM-BJKOFHAPSA-N 2 2 424.633 4.461 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587508 883825358 /nfs/dbraw/zinc/82/53/58/883825358.db2.gz UJDBJZZGJAQWIR-PWHSHALESA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587508 883825360 /nfs/dbraw/zinc/82/53/60/883825360.db2.gz UJDBJZZGJAQWIR-PWHSHALESA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587508 883825361 /nfs/dbraw/zinc/82/53/61/883825361.db2.gz UJDBJZZGJAQWIR-PWHSHALESA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587508 883825362 /nfs/dbraw/zinc/82/53/62/883825362.db2.gz UJDBJZZGJAQWIR-PWHSHALESA-N 2 2 419.560 4.042 20 0 HIADLP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469767117 883939050 /nfs/dbraw/zinc/93/90/50/883939050.db2.gz YJVGQEQWLJLERH-HNAYVOBHSA-N 2 2 414.431 4.347 20 0 HIADLP CC(C)C[C@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000469777236 883952665 /nfs/dbraw/zinc/95/26/65/883952665.db2.gz WDMLIINIDMRGPP-WPYKKVEZSA-N 2 2 410.562 4.010 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000469866359 884056098 /nfs/dbraw/zinc/05/60/98/884056098.db2.gz PPTRAYVGHNNLOI-UIFIKXQLSA-N 2 2 417.985 4.212 20 0 HIADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000471122226 885659009 /nfs/dbraw/zinc/65/90/09/885659009.db2.gz WRMOEFFPHKLGPS-IQGLISFBSA-N 2 2 416.569 4.034 20 0 HIADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000471122226 885659017 /nfs/dbraw/zinc/65/90/17/885659017.db2.gz WRMOEFFPHKLGPS-IQGLISFBSA-N 2 2 416.569 4.034 20 0 HIADLP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471168114 885723892 /nfs/dbraw/zinc/72/38/92/885723892.db2.gz FIXGXFJMRNGRIC-FQEVSTJZSA-N 2 2 420.557 4.165 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471175400 885736483 /nfs/dbraw/zinc/73/64/83/885736483.db2.gz DMMADFBURSKFHB-DENIHFKCSA-N 2 2 404.514 4.368 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471175400 885736493 /nfs/dbraw/zinc/73/64/93/885736493.db2.gz DMMADFBURSKFHB-DENIHFKCSA-N 2 2 404.514 4.368 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000471220945 885795099 /nfs/dbraw/zinc/79/50/99/885795099.db2.gz QIMJLGJTMMAYJG-OEOAZWSVSA-N 2 2 413.993 4.208 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000471220945 885795113 /nfs/dbraw/zinc/79/51/13/885795113.db2.gz QIMJLGJTMMAYJG-OEOAZWSVSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000471220945 885795122 /nfs/dbraw/zinc/79/51/22/885795122.db2.gz QIMJLGJTMMAYJG-OEOAZWSVSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000471220945 885795139 /nfs/dbraw/zinc/79/51/39/885795139.db2.gz QIMJLGJTMMAYJG-OEOAZWSVSA-N 2 2 413.993 4.208 20 0 HIADLP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000473045406 887867711 /nfs/dbraw/zinc/86/77/11/887867711.db2.gz WZJQXSGCCYYRFM-HNAYVOBHSA-N 2 2 414.431 4.347 20 0 HIADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473494978 888216584 /nfs/dbraw/zinc/21/65/84/888216584.db2.gz BHBCZMRMLHTKTG-VWLOTQADSA-N 2 2 400.526 4.001 20 0 HIADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473494978 888216602 /nfs/dbraw/zinc/21/66/02/888216602.db2.gz BHBCZMRMLHTKTG-VWLOTQADSA-N 2 2 400.526 4.001 20 0 HIADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Br)cc2)C[C@H](C)O1 ZINC000474467032 889330898 /nfs/dbraw/zinc/33/08/98/889330898.db2.gz GYMNXYVJOXQWEE-HOTGVXAUSA-N 2 2 421.354 4.487 20 0 HIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000474478002 889339036 /nfs/dbraw/zinc/33/90/36/889339036.db2.gz OEWCLGPRTGCAND-UHFFFAOYSA-N 2 2 405.011 4.277 20 0 HIADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475358846 890283390 /nfs/dbraw/zinc/28/33/90/890283390.db2.gz RQZLRHYQEGRVHQ-VNCLNFNDSA-N 2 2 411.512 4.361 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1cccc(C[NH+]3CCCCCC3)c1)C2 ZINC000475373849 890303859 /nfs/dbraw/zinc/30/38/59/890303859.db2.gz YHOPBYUTNFJVAV-NRFANRHFSA-N 2 2 408.590 4.330 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1cccc(C[NH+]3CCCCCC3)c1)CC2 ZINC000475373849 890303862 /nfs/dbraw/zinc/30/38/62/890303862.db2.gz YHOPBYUTNFJVAV-NRFANRHFSA-N 2 2 408.590 4.330 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1C ZINC000477289090 892247001 /nfs/dbraw/zinc/24/70/01/892247001.db2.gz KQGBTVVYDOPONP-FRIKZZABSA-N 2 2 422.573 4.044 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1C ZINC000477289090 892247026 /nfs/dbraw/zinc/24/70/26/892247026.db2.gz KQGBTVVYDOPONP-FRIKZZABSA-N 2 2 422.573 4.044 20 0 HIADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000478988882 894263266 /nfs/dbraw/zinc/26/32/66/894263266.db2.gz JVBOTXQEMDMONU-UHFFFAOYSA-N 2 2 419.529 4.181 20 0 HIADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000478988882 894263285 /nfs/dbraw/zinc/26/32/85/894263285.db2.gz JVBOTXQEMDMONU-UHFFFAOYSA-N 2 2 419.529 4.181 20 0 HIADLP CC(C)[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(F)ccc1F ZINC000479332386 894625475 /nfs/dbraw/zinc/62/54/75/894625475.db2.gz SYFFTXOHMUHAFW-QHCPKHFHSA-N 2 2 404.501 4.163 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000479455562 894778192 /nfs/dbraw/zinc/77/81/92/894778192.db2.gz NZESFFBBIGHBCI-NRFANRHFSA-N 2 2 423.605 4.118 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000479455562 894778209 /nfs/dbraw/zinc/77/82/09/894778209.db2.gz NZESFFBBIGHBCI-NRFANRHFSA-N 2 2 423.605 4.118 20 0 HIADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000479460446 894782343 /nfs/dbraw/zinc/78/23/43/894782343.db2.gz KHMHFUNOXSBMDV-OAHLLOKOSA-N 2 2 404.352 4.168 20 0 HIADLP COc1cc([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc(OC)c1OC ZINC000479482174 894804658 /nfs/dbraw/zinc/80/46/58/894804658.db2.gz XOUUQDFBTGSVGK-NVPAJSRCSA-N 2 2 416.484 4.168 20 0 HIADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000479583081 894872531 /nfs/dbraw/zinc/87/25/31/894872531.db2.gz VLIAEGVBXQAPMU-UHFFFAOYSA-N 2 2 408.995 4.265 20 0 HIADLP CN(C(=O)NCc1ccc(C2CC2)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000479592781 894875512 /nfs/dbraw/zinc/87/55/12/894875512.db2.gz NYPGQACSRNFYPJ-DNQXCXABSA-N 2 2 412.622 4.043 20 0 HIADLP CN(C(=O)NCc1ccc(C2CC2)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000479592781 894875513 /nfs/dbraw/zinc/87/55/13/894875513.db2.gz NYPGQACSRNFYPJ-DNQXCXABSA-N 2 2 412.622 4.043 20 0 HIADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cnn1-c1cc(C)ccc1C ZINC000479888991 895234846 /nfs/dbraw/zinc/23/48/46/895234846.db2.gz UXGLVZDCLPPOQV-OAQYLSRUSA-N 2 2 418.585 4.481 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCCC2)c1 ZINC000480083154 895440527 /nfs/dbraw/zinc/44/05/27/895440527.db2.gz ORJSVFMXUUPDLW-NYMACZPPSA-N 2 2 407.602 4.332 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCCC2)c1 ZINC000480083154 895440538 /nfs/dbraw/zinc/44/05/38/895440538.db2.gz ORJSVFMXUUPDLW-NYMACZPPSA-N 2 2 407.602 4.332 20 0 HIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000480529283 895892192 /nfs/dbraw/zinc/89/21/92/895892192.db2.gz QQIBUJXDYAZQAG-KRWDZBQOSA-N 2 2 406.921 4.059 20 0 HIADLP Cc1c([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)nnn1-c1ccc(C)cc1 ZINC000480561719 895921858 /nfs/dbraw/zinc/92/18/58/895921858.db2.gz WRRWRGRXLGUTHI-IBGZPJMESA-N 2 2 400.530 4.022 20 0 HIADLP CC[N@H+](CCc1ccccc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000480766759 896129345 /nfs/dbraw/zinc/12/93/45/896129345.db2.gz LIZDTGXEKDEJGH-UHFFFAOYSA-N 2 2 424.589 4.228 20 0 HIADLP CC[N@@H+](CCc1ccccc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000480766759 896129378 /nfs/dbraw/zinc/12/93/78/896129378.db2.gz LIZDTGXEKDEJGH-UHFFFAOYSA-N 2 2 424.589 4.228 20 0 HIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC(F)F)cc1OC(F)F ZINC000480768498 896131137 /nfs/dbraw/zinc/13/11/37/896131137.db2.gz KECMPEDVTSAKNO-LBPRGKRZSA-N 2 2 401.404 4.316 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(I)cc1 ZINC000480788456 896154086 /nfs/dbraw/zinc/15/40/86/896154086.db2.gz UFUUCNPKZSNAHC-OAHLLOKOSA-N 2 2 417.294 4.387 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1OC(F)(F)F ZINC000480894446 896250411 /nfs/dbraw/zinc/25/04/11/896250411.db2.gz DULWMSRNSBRMJG-QGZVFWFLSA-N 2 2 407.480 4.183 20 0 HIADLP CCSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000481166720 896501251 /nfs/dbraw/zinc/50/12/51/896501251.db2.gz OTAZPQSIDWQBFW-FGZHOGPDSA-N 2 2 403.636 4.208 20 0 HIADLP CCSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000481166720 896501265 /nfs/dbraw/zinc/50/12/65/896501265.db2.gz OTAZPQSIDWQBFW-FGZHOGPDSA-N 2 2 403.636 4.208 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000481176227 896511814 /nfs/dbraw/zinc/51/18/14/896511814.db2.gz XLYFWVVJIKCXHJ-NPDDRXJXSA-N 2 2 411.615 4.300 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000481176227 896511828 /nfs/dbraw/zinc/51/18/28/896511828.db2.gz XLYFWVVJIKCXHJ-NPDDRXJXSA-N 2 2 411.615 4.300 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000481182632 896523333 /nfs/dbraw/zinc/52/33/33/896523333.db2.gz YTQKPAMCWZBRSW-MAUKXSAKSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000481182632 896523352 /nfs/dbraw/zinc/52/33/52/896523352.db2.gz YTQKPAMCWZBRSW-MAUKXSAKSA-N 2 2 406.357 4.432 20 0 HIADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481188927 896535662 /nfs/dbraw/zinc/53/56/62/896535662.db2.gz LLLCOULRQGIYLE-XUZZJYLKSA-N 2 2 420.601 4.034 20 0 HIADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481188927 896535681 /nfs/dbraw/zinc/53/56/81/896535681.db2.gz LLLCOULRQGIYLE-XUZZJYLKSA-N 2 2 420.601 4.034 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(F)cc1Cl ZINC000481190032 896537753 /nfs/dbraw/zinc/53/77/53/896537753.db2.gz OBWTVIUAHYOZRC-GQIGUUNPSA-N 2 2 403.929 4.306 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(F)cc1Cl ZINC000481190032 896537774 /nfs/dbraw/zinc/53/77/74/896537774.db2.gz OBWTVIUAHYOZRC-GQIGUUNPSA-N 2 2 403.929 4.306 20 0 HIADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCCO2 ZINC000481206733 896559925 /nfs/dbraw/zinc/55/99/25/896559925.db2.gz PFEQOBWFZFDXDK-HSZRJFAPSA-N 2 2 410.558 4.018 20 0 HIADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000481246763 896598921 /nfs/dbraw/zinc/59/89/21/896598921.db2.gz QZKHPPCGFPNCLA-SFHVURJKSA-N 2 2 421.372 4.144 20 0 HIADLP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481319822 896673514 /nfs/dbraw/zinc/67/35/14/896673514.db2.gz HDKGLHGQOXAQKD-OAQYLSRUSA-N 2 2 419.338 4.198 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000481341344 896707276 /nfs/dbraw/zinc/70/72/76/896707276.db2.gz SOCAHUSYIDBOFN-FDDCHVKYSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000481341344 896707303 /nfs/dbraw/zinc/70/73/03/896707303.db2.gz SOCAHUSYIDBOFN-FDDCHVKYSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000481559262 896932934 /nfs/dbraw/zinc/93/29/34/896932934.db2.gz FDSYZXQNTWHPRE-WZONZLPQSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000481559262 896932942 /nfs/dbraw/zinc/93/29/42/896932942.db2.gz FDSYZXQNTWHPRE-WZONZLPQSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000482251186 897733057 /nfs/dbraw/zinc/73/30/57/897733057.db2.gz WUIOGXVFRVQAIJ-GOSISDBHSA-N 2 2 401.576 4.341 20 0 HIADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000482627530 898231874 /nfs/dbraw/zinc/23/18/74/898231874.db2.gz HVGLGLMYFAFFJW-GOSISDBHSA-N 2 2 414.981 4.161 20 0 HIADLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1OC1CCCC1 ZINC000482951318 898578820 /nfs/dbraw/zinc/57/88/20/898578820.db2.gz UCPPGNXMKLDEQJ-CVDCTZTESA-N 2 2 409.574 4.412 20 0 HIADLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1OC1CCCC1 ZINC000482951318 898578837 /nfs/dbraw/zinc/57/88/37/898578837.db2.gz UCPPGNXMKLDEQJ-CVDCTZTESA-N 2 2 409.574 4.412 20 0 HIADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000482951279 898579873 /nfs/dbraw/zinc/57/98/73/898579873.db2.gz QFEPATOEITYZKR-NRFANRHFSA-N 2 2 423.576 4.333 20 0 HIADLP CC[C@H](CN(CC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000483094300 898784107 /nfs/dbraw/zinc/78/41/07/898784107.db2.gz DENKYWDFECPWRX-JOCHJYFZSA-N 2 2 414.638 4.162 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(I)cc1 ZINC000483125323 898810873 /nfs/dbraw/zinc/81/08/73/898810873.db2.gz JEGDQNJCSCEWJZ-AWEZNQCLSA-N 2 2 403.267 4.328 20 0 HIADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000483481710 899127487 /nfs/dbraw/zinc/12/74/87/899127487.db2.gz IQHOXHKUCSBPGP-PKOBYXMFSA-N 2 2 401.576 4.134 20 0 HIADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000483481710 899127499 /nfs/dbraw/zinc/12/74/99/899127499.db2.gz IQHOXHKUCSBPGP-PKOBYXMFSA-N 2 2 401.576 4.134 20 0 HIADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)cc1OC ZINC000483481710 899127514 /nfs/dbraw/zinc/12/75/14/899127514.db2.gz IQHOXHKUCSBPGP-PKOBYXMFSA-N 2 2 401.576 4.134 20 0 HIADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cs2)cc1OC ZINC000483481710 899127526 /nfs/dbraw/zinc/12/75/26/899127526.db2.gz IQHOXHKUCSBPGP-PKOBYXMFSA-N 2 2 401.576 4.134 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488589 899140430 /nfs/dbraw/zinc/14/04/30/899140430.db2.gz DCUBYQSFPZSPIV-KJXAQDMKSA-N 2 2 423.626 4.008 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488589 899140436 /nfs/dbraw/zinc/14/04/36/899140436.db2.gz DCUBYQSFPZSPIV-KJXAQDMKSA-N 2 2 423.626 4.008 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483488589 899140442 /nfs/dbraw/zinc/14/04/42/899140442.db2.gz DCUBYQSFPZSPIV-KJXAQDMKSA-N 2 2 423.626 4.008 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483488589 899140451 /nfs/dbraw/zinc/14/04/51/899140451.db2.gz DCUBYQSFPZSPIV-KJXAQDMKSA-N 2 2 423.626 4.008 20 0 HIADLP Cc1c2ccccc2oc1[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000483816212 899493710 /nfs/dbraw/zinc/49/37/10/899493710.db2.gz LLLPLZCCXXYZGA-QFIPXVFZSA-N 2 2 414.594 4.106 20 0 HIADLP Cc1c2ccccc2oc1[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000483816212 899493722 /nfs/dbraw/zinc/49/37/22/899493722.db2.gz LLLPLZCCXXYZGA-QFIPXVFZSA-N 2 2 414.594 4.106 20 0 HIADLP CCC(CC)(C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000484133600 899754522 /nfs/dbraw/zinc/75/45/22/899754522.db2.gz AILLXRRLWFQFOK-RBUKOAKNSA-N 2 2 417.619 4.155 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)c(Br)c1 ZINC000484138516 899758930 /nfs/dbraw/zinc/75/89/30/899758930.db2.gz WECFDTGDBRDMER-RRMPHLOHSA-N 2 2 421.354 4.122 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)c(Br)c1 ZINC000484138516 899758940 /nfs/dbraw/zinc/75/89/40/899758940.db2.gz WECFDTGDBRDMER-RRMPHLOHSA-N 2 2 421.354 4.122 20 0 HIADLP COc1ccc2oc([C@H](C)[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)c(C)c2c1 ZINC000484151017 899772541 /nfs/dbraw/zinc/77/25/41/899772541.db2.gz ZLTPKSUMVCGPEE-NOXFTYBFSA-N 2 2 408.542 4.283 20 0 HIADLP COc1ccc2oc([C@H](C)[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)c(C)c2c1 ZINC000484151017 899772551 /nfs/dbraw/zinc/77/25/51/899772551.db2.gz ZLTPKSUMVCGPEE-NOXFTYBFSA-N 2 2 408.542 4.283 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000485350007 900643323 /nfs/dbraw/zinc/64/33/23/900643323.db2.gz SEOOLMWUALTBPE-ZYKOEDHHSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000485350007 900643327 /nfs/dbraw/zinc/64/33/27/900643327.db2.gz SEOOLMWUALTBPE-ZYKOEDHHSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000485350007 900643330 /nfs/dbraw/zinc/64/33/30/900643330.db2.gz SEOOLMWUALTBPE-ZYKOEDHHSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000485350007 900643333 /nfs/dbraw/zinc/64/33/33/900643333.db2.gz SEOOLMWUALTBPE-ZYKOEDHHSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485410815 900708062 /nfs/dbraw/zinc/70/80/62/900708062.db2.gz XEUUQZRGJBXVKG-GVXSCFBNSA-N 2 2 405.586 4.240 20 0 HIADLP C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485410815 900708067 /nfs/dbraw/zinc/70/80/67/900708067.db2.gz XEUUQZRGJBXVKG-GVXSCFBNSA-N 2 2 405.586 4.240 20 0 HIADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000485687620 900938897 /nfs/dbraw/zinc/93/88/97/900938897.db2.gz NOGNJBFEVIFZIM-HXUWFJFHSA-N 2 2 404.514 4.197 20 0 HIADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000485687620 900938908 /nfs/dbraw/zinc/93/89/08/900938908.db2.gz NOGNJBFEVIFZIM-HXUWFJFHSA-N 2 2 404.514 4.197 20 0 HIADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCC1)c1ccccc1 ZINC000485771236 901027394 /nfs/dbraw/zinc/02/73/94/901027394.db2.gz CEJFBNDXRLGENW-NHCUHLMSSA-N 2 2 423.605 4.048 20 0 HIADLP C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000485832950 901080095 /nfs/dbraw/zinc/08/00/95/901080095.db2.gz SEHYGTCZVHPBGD-HUUCEWRRSA-N 2 2 405.384 4.078 20 0 HIADLP C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000485832950 901080103 /nfs/dbraw/zinc/08/01/03/901080103.db2.gz SEHYGTCZVHPBGD-HUUCEWRRSA-N 2 2 405.384 4.078 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3NCCC3=CCCCC3)CC2)CC1 ZINC000486672155 901788533 /nfs/dbraw/zinc/78/85/33/901788533.db2.gz CBCVDFSVUKNSSB-UHFFFAOYSA-N 2 2 424.633 4.277 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3CCC3CCCCC3)CC2)CC1 ZINC000487659427 902278983 /nfs/dbraw/zinc/27/89/83/902278983.db2.gz BTIQLCGTOGAFSE-HSZRJFAPSA-N 2 2 404.643 4.080 20 0 HIADLP C[C@@H]1C[C@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000488204740 902687789 /nfs/dbraw/zinc/68/77/89/902687789.db2.gz XXDDMPPEFBBAMV-DENIHFKCSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@@H]1C[C@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000488204740 902687794 /nfs/dbraw/zinc/68/77/94/902687794.db2.gz XXDDMPPEFBBAMV-DENIHFKCSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000488204740 902687801 /nfs/dbraw/zinc/68/78/01/902687801.db2.gz XXDDMPPEFBBAMV-DENIHFKCSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000488204740 902687806 /nfs/dbraw/zinc/68/78/06/902687806.db2.gz XXDDMPPEFBBAMV-DENIHFKCSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000488261980 902733437 /nfs/dbraw/zinc/73/34/37/902733437.db2.gz JDOMWRBJWZMPCT-VOQZNFBZSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000488261980 902733442 /nfs/dbraw/zinc/73/34/42/902733442.db2.gz JDOMWRBJWZMPCT-VOQZNFBZSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000488279185 902743587 /nfs/dbraw/zinc/74/35/87/902743587.db2.gz KVALWYDJQOINFH-ZPMCFJSWSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000488279185 902743597 /nfs/dbraw/zinc/74/35/97/902743597.db2.gz KVALWYDJQOINFH-ZPMCFJSWSA-N 2 2 421.029 4.380 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000489289932 903311715 /nfs/dbraw/zinc/31/17/15/903311715.db2.gz LGNHTZALVGMNJX-GOSISDBHSA-N 2 2 412.603 4.369 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000489289932 903311735 /nfs/dbraw/zinc/31/17/35/903311735.db2.gz LGNHTZALVGMNJX-GOSISDBHSA-N 2 2 412.603 4.369 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000489322488 903331009 /nfs/dbraw/zinc/33/10/09/903331009.db2.gz CUUDAXMQCVLUHT-OAQYLSRUSA-N 2 2 412.965 4.079 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000489322488 903331020 /nfs/dbraw/zinc/33/10/20/903331020.db2.gz CUUDAXMQCVLUHT-OAQYLSRUSA-N 2 2 412.965 4.079 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000489424328 903377096 /nfs/dbraw/zinc/37/70/96/903377096.db2.gz RHZLQTGCYJTOAX-QFIPXVFZSA-N 2 2 422.617 4.446 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000489424328 903377106 /nfs/dbraw/zinc/37/71/06/903377106.db2.gz RHZLQTGCYJTOAX-QFIPXVFZSA-N 2 2 422.617 4.446 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000489459125 903395991 /nfs/dbraw/zinc/39/59/91/903395991.db2.gz RNNOZRGOUSMMJG-KRWDZBQOSA-N 2 2 400.954 4.301 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000489459125 903396002 /nfs/dbraw/zinc/39/60/02/903396002.db2.gz RNNOZRGOUSMMJG-KRWDZBQOSA-N 2 2 400.954 4.301 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)c(F)c1 ZINC000489490522 903418848 /nfs/dbraw/zinc/41/88/48/903418848.db2.gz XAQXGXDZSDGQPO-UQASEVPWSA-N 2 2 421.354 4.122 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)c(F)c1 ZINC000489490522 903418854 /nfs/dbraw/zinc/41/88/54/903418854.db2.gz XAQXGXDZSDGQPO-UQASEVPWSA-N 2 2 421.354 4.122 20 0 HIADLP C[C@@H]1C[N@H+](CCSc2cc(Cl)ccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490957107 904336362 /nfs/dbraw/zinc/33/63/62/904336362.db2.gz CMAPYXIRHXLSRY-CRAIPNDOSA-N 2 2 402.435 4.043 20 0 HIADLP C[C@@H]1C[N@@H+](CCSc2cc(Cl)ccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490957107 904336372 /nfs/dbraw/zinc/33/63/72/904336372.db2.gz CMAPYXIRHXLSRY-CRAIPNDOSA-N 2 2 402.435 4.043 20 0 HIADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000491055748 904398398 /nfs/dbraw/zinc/39/83/98/904398398.db2.gz HTOUXRKXXXIADQ-JOCHJYFZSA-N 2 2 402.542 4.165 20 0 HIADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000491055748 904398413 /nfs/dbraw/zinc/39/84/13/904398413.db2.gz HTOUXRKXXXIADQ-JOCHJYFZSA-N 2 2 402.542 4.165 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000491285559 904518729 /nfs/dbraw/zinc/51/87/29/904518729.db2.gz UCNODYFAKNBWTG-SIKLNZKXSA-N 2 2 402.542 4.295 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000491285559 904518739 /nfs/dbraw/zinc/51/87/39/904518739.db2.gz UCNODYFAKNBWTG-SIKLNZKXSA-N 2 2 402.542 4.295 20 0 HIADLP COc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)cc1 ZINC000491425211 904591764 /nfs/dbraw/zinc/59/17/64/904591764.db2.gz ZZZFXDJPDCBXOL-AREMUKBSSA-N 2 2 402.538 4.407 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(Br)c(Cl)c3)[nH+]c2)C1 ZINC000492151371 904807045 /nfs/dbraw/zinc/80/70/45/904807045.db2.gz MDYSHJKPBGRCJI-OAHLLOKOSA-N 2 2 409.759 4.250 20 0 HIADLP C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492401375 904844371 /nfs/dbraw/zinc/84/43/71/904844371.db2.gz OTHNIGZSGBSMPS-FUHWJXTLSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492401375 904844372 /nfs/dbraw/zinc/84/43/72/904844372.db2.gz OTHNIGZSGBSMPS-FUHWJXTLSA-N 2 2 413.363 4.097 20 0 HIADLP COC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000493961336 905310954 /nfs/dbraw/zinc/31/09/54/905310954.db2.gz PFNULPNVFXTRND-KKSFZXQISA-N 2 2 405.945 4.269 20 0 HIADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000493989279 905331514 /nfs/dbraw/zinc/33/15/14/905331514.db2.gz KMFBMOBPIGGWOD-PKTZIBPZSA-N 2 2 400.513 4.412 20 0 HIADLP Brc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OCc1ccccc1 ZINC000494411110 905699982 /nfs/dbraw/zinc/69/99/82/905699982.db2.gz IFTZMTWQGZBHCH-SFHVURJKSA-N 2 2 412.331 4.329 20 0 HIADLP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494414633 905703295 /nfs/dbraw/zinc/70/32/95/905703295.db2.gz WPEMHTQGOOXFNU-IBGZPJMESA-N 2 2 417.488 4.413 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184259 906294181 /nfs/dbraw/zinc/29/41/81/906294181.db2.gz OOXUHXXYHPZDPX-RADWXHQJSA-N 2 2 419.400 4.467 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184259 906294199 /nfs/dbraw/zinc/29/41/99/906294199.db2.gz OOXUHXXYHPZDPX-RADWXHQJSA-N 2 2 419.400 4.467 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000495435348 906450187 /nfs/dbraw/zinc/45/01/87/906450187.db2.gz WDDCCMRTGMTLRG-QTEQDKRBSA-N 2 2 403.574 4.445 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000495435348 906450194 /nfs/dbraw/zinc/45/01/94/906450194.db2.gz WDDCCMRTGMTLRG-QTEQDKRBSA-N 2 2 403.574 4.445 20 0 HIADLP CCCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)Nc1cc(C)on1 ZINC000495722849 906531371 /nfs/dbraw/zinc/53/13/71/906531371.db2.gz CWVCHEYKXRSMQH-IEBWSBKVSA-N 2 2 404.580 4.044 20 0 HIADLP CCCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)Nc1cc(C)on1 ZINC000495722849 906531386 /nfs/dbraw/zinc/53/13/86/906531386.db2.gz CWVCHEYKXRSMQH-IEBWSBKVSA-N 2 2 404.580 4.044 20 0 HIADLP CCSc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000495757737 906544527 /nfs/dbraw/zinc/54/45/27/906544527.db2.gz OCUCTPNWVZVGGY-VXKWHMMOSA-N 2 2 403.636 4.208 20 0 HIADLP CCSc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000495757737 906544531 /nfs/dbraw/zinc/54/45/31/906544531.db2.gz OCUCTPNWVZVGGY-VXKWHMMOSA-N 2 2 403.636 4.208 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512613307 921260794 /nfs/dbraw/zinc/26/07/94/921260794.db2.gz RNTCBOSOJSSRQO-JXHGYLODSA-N 3 2 418.629 4.497 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512613307 921260801 /nfs/dbraw/zinc/26/08/01/921260801.db2.gz RNTCBOSOJSSRQO-JXHGYLODSA-N 3 2 418.629 4.497 20 0 HIADLP Fc1ccc2oc(C[N@@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2c1 ZINC000512692865 921289794 /nfs/dbraw/zinc/28/97/94/921289794.db2.gz IKGNJTWPHQQEPG-IBGZPJMESA-N 2 2 408.521 4.001 20 0 HIADLP Fc1ccc2oc(C[N@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2c1 ZINC000512692865 921289799 /nfs/dbraw/zinc/28/97/99/921289799.db2.gz IKGNJTWPHQQEPG-IBGZPJMESA-N 2 2 408.521 4.001 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cn2c1 ZINC000497655407 907145327 /nfs/dbraw/zinc/14/53/27/907145327.db2.gz LEDFHLGACYYZSW-UHFFFAOYSA-N 2 2 422.598 4.178 20 0 HIADLP CCOc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(Br)c1O ZINC000497677250 907178946 /nfs/dbraw/zinc/17/89/46/907178946.db2.gz FHPBGISZIYUXJR-UHFFFAOYSA-N 2 2 419.363 4.308 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000512845345 921349220 /nfs/dbraw/zinc/34/92/20/921349220.db2.gz KRXVWCWYGSPHLZ-UHFFFAOYSA-N 2 2 407.468 4.302 20 0 HIADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(C(=O)NCc4ccco4)c3)C2)CC1 ZINC000498887296 908289474 /nfs/dbraw/zinc/28/94/74/908289474.db2.gz BZVYFMFWNVOFPL-JOCHJYFZSA-N 2 2 409.574 4.154 20 0 HIADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(C(=O)NCc4ccco4)c3)C2)CC1 ZINC000498887296 908289491 /nfs/dbraw/zinc/28/94/91/908289491.db2.gz BZVYFMFWNVOFPL-JOCHJYFZSA-N 2 2 409.574 4.154 20 0 HIADLP CC(C)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)Nc1nccs1 ZINC000499174088 908526025 /nfs/dbraw/zinc/52/60/25/908526025.db2.gz GXVPUTKDIUZERU-MXEMCNAFSA-N 2 2 412.603 4.282 20 0 HIADLP CC(C)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)Nc1nccs1 ZINC000499174088 908526032 /nfs/dbraw/zinc/52/60/32/908526032.db2.gz GXVPUTKDIUZERU-MXEMCNAFSA-N 2 2 412.603 4.282 20 0 HIADLP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1Cl ZINC000499215801 908571839 /nfs/dbraw/zinc/57/18/39/908571839.db2.gz RKXUZYVYCKHNOA-KEZQHZCBSA-N 2 2 409.961 4.231 20 0 HIADLP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1Cl ZINC000499215801 908571861 /nfs/dbraw/zinc/57/18/61/908571861.db2.gz RKXUZYVYCKHNOA-KEZQHZCBSA-N 2 2 409.961 4.231 20 0 HIADLP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000500185247 909679844 /nfs/dbraw/zinc/67/98/44/909679844.db2.gz KJCPIQMYXAENKT-HSZRJFAPSA-N 2 2 414.981 4.103 20 0 HIADLP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000500185247 909679848 /nfs/dbraw/zinc/67/98/48/909679848.db2.gz KJCPIQMYXAENKT-HSZRJFAPSA-N 2 2 414.981 4.103 20 0 HIADLP COc1ccc(Cl)cc1C1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000513080300 921532850 /nfs/dbraw/zinc/53/28/50/921532850.db2.gz DHAIWGXCRBNXDI-UHFFFAOYSA-N 2 2 415.965 4.050 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C[NH+](C)C)c3)cc2)C[C@H](C)O1 ZINC000500750882 910060936 /nfs/dbraw/zinc/06/09/36/910060936.db2.gz UROKCLXELODNEQ-CALCHBBNSA-N 2 2 415.965 4.263 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C[NH+](C)C)c3)cc2)C[C@H](C)O1 ZINC000500750882 910060954 /nfs/dbraw/zinc/06/09/54/910060954.db2.gz UROKCLXELODNEQ-CALCHBBNSA-N 2 2 415.965 4.263 20 0 HIADLP CC[N@H+](Cc1ccc(-c2nc([C@@H]3C[NH+](Cc4ccccc4)CCO3)no2)cc1)C1CC1 ZINC000500808827 910094353 /nfs/dbraw/zinc/09/43/53/910094353.db2.gz DMLXNRUFJORYSW-QHCPKHFHSA-N 2 2 418.541 4.294 20 0 HIADLP CC[N@@H+](Cc1ccc(-c2nc([C@@H]3C[NH+](Cc4ccccc4)CCO3)no2)cc1)C1CC1 ZINC000500808827 910094371 /nfs/dbraw/zinc/09/43/71/910094371.db2.gz DMLXNRUFJORYSW-QHCPKHFHSA-N 2 2 418.541 4.294 20 0 HIADLP CC[NH+](Cc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1)C1CC1 ZINC000500808827 910094384 /nfs/dbraw/zinc/09/43/84/910094384.db2.gz DMLXNRUFJORYSW-QHCPKHFHSA-N 2 2 418.541 4.294 20 0 HIADLP CC[NH+](Cc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1)C1CC1 ZINC000500808827 910094398 /nfs/dbraw/zinc/09/43/98/910094398.db2.gz DMLXNRUFJORYSW-QHCPKHFHSA-N 2 2 418.541 4.294 20 0 HIADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)CC2)cc1 ZINC000501384621 910514701 /nfs/dbraw/zinc/51/47/01/910514701.db2.gz AGCATDODERNOAG-AZGAKELHSA-N 2 2 406.618 4.295 20 0 HIADLP Cc1cc(NC(=O)c2cccc(C(=O)Nc3cc(C)c4[nH+]ccn4c3)c2)cn2cc[nH+]c12 ZINC000502977892 911958402 /nfs/dbraw/zinc/95/84/02/911958402.db2.gz BMMWZMGKUHYTSQ-UHFFFAOYSA-N 2 2 424.464 4.103 20 0 HIADLP Cc1[nH+]ccn1CCCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000503064508 912029606 /nfs/dbraw/zinc/02/96/06/912029606.db2.gz QUYNPNPNJPPVSM-UHFFFAOYSA-N 2 2 411.937 4.161 20 0 HIADLP Cc1[nH+]ccn1CCCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000503064508 912029622 /nfs/dbraw/zinc/02/96/22/912029622.db2.gz QUYNPNPNJPPVSM-UHFFFAOYSA-N 2 2 411.937 4.161 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000503073358 912040175 /nfs/dbraw/zinc/04/01/75/912040175.db2.gz FWUVOYATLHIMPS-HSZRJFAPSA-N 2 2 406.530 4.210 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000503073358 912040196 /nfs/dbraw/zinc/04/01/96/912040196.db2.gz FWUVOYATLHIMPS-HSZRJFAPSA-N 2 2 406.530 4.210 20 0 HIADLP CCC(CC)[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[NH+]1CCCC1 ZINC000507090450 915864326 /nfs/dbraw/zinc/86/43/26/915864326.db2.gz YMTBSEXBCFZLQM-RBBKRZOGSA-N 2 2 415.626 4.009 20 0 HIADLP Cn1ccnc1[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1Cl ZINC000507887151 916734861 /nfs/dbraw/zinc/73/48/61/916734861.db2.gz FGJGZFBDSFVPER-JOCHJYFZSA-N 2 2 424.980 4.200 20 0 HIADLP C[N@@H+](Cc1cc(Br)ccc1OCc1ccccn1)C[C@@H]1CCC[NH+](C)C1 ZINC000508552176 917327965 /nfs/dbraw/zinc/32/79/65/917327965.db2.gz MEIKPIBEWYMISM-QGZVFWFLSA-N 2 2 418.379 4.197 20 0 HIADLP C[N@H+](Cc1cc(Br)ccc1OCc1ccccn1)C[C@@H]1CCC[NH+](C)C1 ZINC000508552176 917327978 /nfs/dbraw/zinc/32/79/78/917327978.db2.gz MEIKPIBEWYMISM-QGZVFWFLSA-N 2 2 418.379 4.197 20 0 HIADLP C[NH+](Cc1cc(Br)ccc1OCc1ccccn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000508552176 917327982 /nfs/dbraw/zinc/32/79/82/917327982.db2.gz MEIKPIBEWYMISM-QGZVFWFLSA-N 2 2 418.379 4.197 20 0 HIADLP C[NH+](Cc1cc(Br)ccc1OCc1ccccn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508552176 917327989 /nfs/dbraw/zinc/32/79/89/917327989.db2.gz MEIKPIBEWYMISM-QGZVFWFLSA-N 2 2 418.379 4.197 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508857336 917611711 /nfs/dbraw/zinc/61/17/11/917611711.db2.gz WWYCTJWVOGNULM-GBXCKJPGSA-N 2 2 423.605 4.021 20 0 HIADLP CCC(CC)(NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000509671325 918303386 /nfs/dbraw/zinc/30/33/86/918303386.db2.gz ORBPKDBAIWTIHA-UHFFFAOYSA-N 2 2 421.029 4.213 20 0 HIADLP CC[NH+](CC)CCOc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000510097048 918661212 /nfs/dbraw/zinc/66/12/12/918661212.db2.gz BYKARRMVBXHMRG-UHFFFAOYSA-N 2 2 416.529 4.148 20 0 HIADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Sc4ccccn4)o3)c2)CCO1 ZINC000510168391 918720767 /nfs/dbraw/zinc/72/07/67/918720767.db2.gz ILCKBKDMPRNPAT-SFHVURJKSA-N 2 2 409.555 4.336 20 0 HIADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Sc4ccccn4)o3)c2)CCO1 ZINC000510168391 918720778 /nfs/dbraw/zinc/72/07/78/918720778.db2.gz ILCKBKDMPRNPAT-SFHVURJKSA-N 2 2 409.555 4.336 20 0 HIADLP Cc1cccc([C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2cccc(F)c2)c1 ZINC000510704647 919144065 /nfs/dbraw/zinc/14/40/65/919144065.db2.gz OIXCCYRUOSVHCH-VWLOTQADSA-N 2 2 404.533 4.160 20 0 HIADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc3ncccc3c2)o1 ZINC000510932787 919455777 /nfs/dbraw/zinc/45/57/77/919455777.db2.gz BTEMXRKXYYKJMN-UHFFFAOYSA-N 2 2 411.303 4.489 20 0 HIADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc3ncccc3c2)o1 ZINC000510932787 919455793 /nfs/dbraw/zinc/45/57/93/919455793.db2.gz BTEMXRKXYYKJMN-UHFFFAOYSA-N 2 2 411.303 4.489 20 0 HIADLP Brc1ccc(C[N@H+](CCCOc2ccccc2)CCn2cc[nH+]c2)o1 ZINC000510937667 919463255 /nfs/dbraw/zinc/46/32/55/919463255.db2.gz PFQUOSBNQIJTES-UHFFFAOYSA-N 2 2 404.308 4.210 20 0 HIADLP Brc1ccc(C[N@@H+](CCCOc2ccccc2)CCn2cc[nH+]c2)o1 ZINC000510937667 919463273 /nfs/dbraw/zinc/46/32/73/919463273.db2.gz PFQUOSBNQIJTES-UHFFFAOYSA-N 2 2 404.308 4.210 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccc(Cl)cc3)C3CCC3)CC2)CC1 ZINC000511348463 919941860 /nfs/dbraw/zinc/94/18/60/919941860.db2.gz WSQDDQVKKHDYBQ-QFIPXVFZSA-N 2 2 419.013 4.039 20 0 HIADLP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847268 920567687 /nfs/dbraw/zinc/56/76/87/920567687.db2.gz PYUYXLHABJHWDZ-SFTDATJTSA-N 2 2 419.491 4.089 20 0 HIADLP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847268 920567696 /nfs/dbraw/zinc/56/76/96/920567696.db2.gz PYUYXLHABJHWDZ-SFTDATJTSA-N 2 2 419.491 4.089 20 0 HIADLP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847268 920567713 /nfs/dbraw/zinc/56/77/13/920567713.db2.gz PYUYXLHABJHWDZ-SFTDATJTSA-N 2 2 419.491 4.089 20 0 HIADLP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847268 920567728 /nfs/dbraw/zinc/56/77/28/920567728.db2.gz PYUYXLHABJHWDZ-SFTDATJTSA-N 2 2 419.491 4.089 20 0 HIADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)sc1Br ZINC000512054468 920824232 /nfs/dbraw/zinc/82/42/32/920824232.db2.gz VTITWDQDCCZBOT-SZMVWBNQSA-N 2 2 423.420 4.353 20 0 HIADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)sc1Br ZINC000512054468 920824238 /nfs/dbraw/zinc/82/42/38/920824238.db2.gz VTITWDQDCCZBOT-SZMVWBNQSA-N 2 2 423.420 4.353 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(F)c1Sc1ccccc1 ZINC000512061024 920828999 /nfs/dbraw/zinc/82/89/99/920828999.db2.gz BFGQZGYYBRQPPC-UHFFFAOYSA-N 2 2 415.578 4.075 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(F)c1Sc1ccccc1 ZINC000512061024 920829002 /nfs/dbraw/zinc/82/90/02/920829002.db2.gz BFGQZGYYBRQPPC-UHFFFAOYSA-N 2 2 415.578 4.075 20 0 HIADLP C/C=C/c1ccc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000512300485 921057153 /nfs/dbraw/zinc/05/71/53/921057153.db2.gz DUCUNFZHDPYGDD-LHLOKTHNSA-N 2 2 424.585 4.064 20 0 HIADLP C/C=C/c1ccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000512300485 921057165 /nfs/dbraw/zinc/05/71/65/921057165.db2.gz DUCUNFZHDPYGDD-LHLOKTHNSA-N 2 2 424.585 4.064 20 0 HIADLP C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512365465 921107343 /nfs/dbraw/zinc/10/73/43/921107343.db2.gz YXCRZLLULNDKIY-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512365465 921107354 /nfs/dbraw/zinc/10/73/54/921107354.db2.gz YXCRZLLULNDKIY-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)C2 ZINC000513910741 922233908 /nfs/dbraw/zinc/23/39/08/922233908.db2.gz FQGURPQOUWQIOP-UGKGYDQZSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)C2 ZINC000513910741 922233925 /nfs/dbraw/zinc/23/39/25/922233925.db2.gz FQGURPQOUWQIOP-UGKGYDQZSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC000513910741 922233941 /nfs/dbraw/zinc/23/39/41/922233941.db2.gz FQGURPQOUWQIOP-UGKGYDQZSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC000513910741 922233958 /nfs/dbraw/zinc/23/39/58/922233958.db2.gz FQGURPQOUWQIOP-UGKGYDQZSA-N 2 2 408.590 4.055 20 0 HIADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000514234027 922572346 /nfs/dbraw/zinc/57/23/46/922572346.db2.gz IRBSMFLSFUVVLG-VQTJNVASSA-N 2 2 408.464 4.433 20 0 HIADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000515888281 923414130 /nfs/dbraw/zinc/41/41/30/923414130.db2.gz PTQUBNCCDANADV-DNQXCXABSA-N 2 2 417.553 4.281 20 0 HIADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000515888281 923414138 /nfs/dbraw/zinc/41/41/38/923414138.db2.gz PTQUBNCCDANADV-DNQXCXABSA-N 2 2 417.553 4.281 20 0 HIADLP C[C@@H](c1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000517131590 924016195 /nfs/dbraw/zinc/01/61/95/924016195.db2.gz FQAUPBFDXLUWQC-GBXCKJPGSA-N 2 2 422.573 4.038 20 0 HIADLP CC(C)Cc1ccc([C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000517885400 926875311 /nfs/dbraw/zinc/87/53/11/926875311.db2.gz UNBOMGNAMWSUST-XMMPIXPASA-N 2 2 416.654 4.250 20 0 HIADLP CC(C)Cc1ccc([C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000517885400 926875316 /nfs/dbraw/zinc/87/53/16/926875316.db2.gz UNBOMGNAMWSUST-XMMPIXPASA-N 2 2 416.654 4.250 20 0 HIADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000518891077 927602222 /nfs/dbraw/zinc/60/22/22/927602222.db2.gz IVECCMAVJSYDHF-OAQYLSRUSA-N 2 2 418.006 4.439 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1C ZINC000519923955 928155916 /nfs/dbraw/zinc/15/59/16/928155916.db2.gz ZLTKXPBRODNKEZ-IBGZPJMESA-N 2 2 424.589 4.423 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1C ZINC000519923955 928155935 /nfs/dbraw/zinc/15/59/35/928155935.db2.gz ZLTKXPBRODNKEZ-IBGZPJMESA-N 2 2 424.589 4.423 20 0 HIADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000524884192 929871877 /nfs/dbraw/zinc/87/18/77/929871877.db2.gz VYHSQLFRYXYVQD-XMSQKQJNSA-N 2 2 412.480 4.197 20 0 HIADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000524884192 929871880 /nfs/dbraw/zinc/87/18/80/929871880.db2.gz VYHSQLFRYXYVQD-XMSQKQJNSA-N 2 2 412.480 4.197 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1SC1CCCC1 ZINC000525374099 930203701 /nfs/dbraw/zinc/20/37/01/930203701.db2.gz OOVYIZFAYOSOER-UHFFFAOYSA-N 2 2 404.624 4.211 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1SC1CCCC1 ZINC000525374099 930203711 /nfs/dbraw/zinc/20/37/11/930203711.db2.gz OOVYIZFAYOSOER-UHFFFAOYSA-N 2 2 404.624 4.211 20 0 HIADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(Br)cc1F ZINC000525857690 930469524 /nfs/dbraw/zinc/46/95/24/930469524.db2.gz SRMDYUCVMSRHHP-HRAATJIYSA-N 2 2 420.370 4.228 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(C(F)(F)F)c1 ZINC000530815155 930830691 /nfs/dbraw/zinc/83/06/91/930830691.db2.gz LGNVFILSUZLYAR-WMZOPIPTSA-N 2 2 408.468 4.218 20 0 HIADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000530870575 930844779 /nfs/dbraw/zinc/84/47/79/930844779.db2.gz XBKHNHUFAARYMZ-UHFFFAOYSA-N 2 2 421.326 4.030 20 0 HIADLP C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000531204590 930964497 /nfs/dbraw/zinc/96/44/97/930964497.db2.gz KCYABKRUOMFIBY-DLBZAZTESA-N 2 2 417.956 4.299 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000531299391 931007112 /nfs/dbraw/zinc/00/71/12/931007112.db2.gz HOZQJJWWTZELMS-RBBKRZOGSA-N 2 2 402.542 4.306 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000531299391 931007116 /nfs/dbraw/zinc/00/71/16/931007116.db2.gz HOZQJJWWTZELMS-RBBKRZOGSA-N 2 2 402.542 4.306 20 0 HIADLP Fc1cccc(Cl)c1CN1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000531682268 931150694 /nfs/dbraw/zinc/15/06/94/931150694.db2.gz RTEKQVGZHQZBQA-UHFFFAOYSA-N 2 2 402.945 4.097 20 0 HIADLP CCCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000531706113 931166719 /nfs/dbraw/zinc/16/67/19/931166719.db2.gz RGANXGZAUKECKX-HSZRJFAPSA-N 2 2 400.611 4.247 20 0 HIADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000531758819 931185421 /nfs/dbraw/zinc/18/54/21/931185421.db2.gz PLPFLOQENRCEFU-UXHICEINSA-N 2 2 411.571 4.414 20 0 HIADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1Br ZINC000531965891 931268719 /nfs/dbraw/zinc/26/87/19/931268719.db2.gz RKZKSHNUMFFANM-UWJYYQICSA-N 2 2 402.380 4.088 20 0 HIADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4c(Cl)sc(Cl)c43)cn2)CC1 ZINC000531989253 931278342 /nfs/dbraw/zinc/27/83/42/931278342.db2.gz KZFCPSBJBUTMGU-HNNXBMFYSA-N 2 2 411.402 4.369 20 0 HIADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000532249310 931370931 /nfs/dbraw/zinc/37/09/31/931370931.db2.gz LZKACVVUSDLAGY-SJCJKPOMSA-N 2 2 423.932 4.103 20 0 HIADLP Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000532865675 931671820 /nfs/dbraw/zinc/67/18/20/931671820.db2.gz FIMRWHODVTVYIZ-UHFFFAOYSA-N 2 2 422.552 4.166 20 0 HIADLP Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(OC(F)F)cc1C ZINC000532866176 931672323 /nfs/dbraw/zinc/67/23/23/931672323.db2.gz ZDQJWQRXESYUNP-UHFFFAOYSA-N 2 2 404.505 4.442 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(Cl)c4c(c3)OCCCO4)[nH+]c2)CC1 ZINC000533187009 931804195 /nfs/dbraw/zinc/80/41/95/931804195.db2.gz VANDLHRZIXZOIX-UHFFFAOYSA-N 2 2 416.953 4.039 20 0 HIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000533307223 931834990 /nfs/dbraw/zinc/83/49/90/931834990.db2.gz NTYKVKLZEZUGHV-INIZCTEOSA-N 2 2 405.384 4.297 20 0 HIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000533307223 931834992 /nfs/dbraw/zinc/83/49/92/931834992.db2.gz NTYKVKLZEZUGHV-INIZCTEOSA-N 2 2 405.384 4.297 20 0 HIADLP CCc1ccc([C@@H](NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c2cccs2)cc1 ZINC000533347833 931844750 /nfs/dbraw/zinc/84/47/50/931844750.db2.gz REMJADJBPNWNRE-HSZRJFAPSA-N 2 2 408.571 4.050 20 0 HIADLP CC[C@H](C)Oc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647862 931943029 /nfs/dbraw/zinc/94/30/29/931943029.db2.gz NFJMPPZHWVQGSG-IGKWTDBASA-N 2 2 415.622 4.273 20 0 HIADLP CC[C@H](C)Oc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647862 931943042 /nfs/dbraw/zinc/94/30/42/931943042.db2.gz NFJMPPZHWVQGSG-IGKWTDBASA-N 2 2 415.622 4.273 20 0 HIADLP CN(C(=O)C/C=C\c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533647901 931943149 /nfs/dbraw/zinc/94/31/49/931943149.db2.gz HKSGOPIJJQARBK-HFGQRXBSSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)C/C=C\c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533647901 931943157 /nfs/dbraw/zinc/94/31/57/931943157.db2.gz HKSGOPIJJQARBK-HFGQRXBSSA-N 2 2 401.570 4.025 20 0 HIADLP CCn1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000533646829 931943212 /nfs/dbraw/zinc/94/32/12/931943212.db2.gz FLVSSMMNLLYGGT-DHIUTWEWSA-N 2 2 410.606 4.070 20 0 HIADLP CCn1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000533646829 931943218 /nfs/dbraw/zinc/94/32/18/931943218.db2.gz FLVSSMMNLLYGGT-DHIUTWEWSA-N 2 2 410.606 4.070 20 0 HIADLP Cc1ccccc1Cc1noc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534229160 932348963 /nfs/dbraw/zinc/34/89/63/932348963.db2.gz CGGDAPXEYOSGHD-UHFFFAOYSA-N 2 2 416.569 4.457 20 0 HIADLP Cc1ccccc1Cc1noc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534229160 932348970 /nfs/dbraw/zinc/34/89/70/932348970.db2.gz CGGDAPXEYOSGHD-UHFFFAOYSA-N 2 2 416.569 4.457 20 0 HIADLP Cc1[nH+]ccn1CCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000534243770 932361964 /nfs/dbraw/zinc/36/19/64/932361964.db2.gz FKVUYKKNNOQMJW-AWEZNQCLSA-N 2 2 404.971 4.231 20 0 HIADLP COc1ccc(OCc2nc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cs2)cc1 ZINC000534347276 932388700 /nfs/dbraw/zinc/38/87/00/932388700.db2.gz NEWZIDLKZTXVPK-UHFFFAOYSA-N 2 2 403.592 4.283 20 0 HIADLP COc1ccc(OCc2nc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cs2)cc1 ZINC000534347276 932388705 /nfs/dbraw/zinc/38/87/05/932388705.db2.gz NEWZIDLKZTXVPK-UHFFFAOYSA-N 2 2 403.592 4.283 20 0 HIADLP Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360822 932393979 /nfs/dbraw/zinc/39/39/79/932393979.db2.gz QNENXAHGHUBCAP-FCHUYYIVSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360822 932393989 /nfs/dbraw/zinc/39/39/89/932393989.db2.gz QNENXAHGHUBCAP-FCHUYYIVSA-N 2 2 424.589 4.059 20 0 HIADLP CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361236 932395413 /nfs/dbraw/zinc/39/54/13/932395413.db2.gz WAUIOFDJGDNPQM-VQTJNVASSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361236 932395417 /nfs/dbraw/zinc/39/54/17/932395417.db2.gz WAUIOFDJGDNPQM-VQTJNVASSA-N 2 2 411.512 4.115 20 0 HIADLP Cc1ncc(-c2ccccc2)cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000534825976 932796335 /nfs/dbraw/zinc/79/63/35/932796335.db2.gz GYKNGNVMAIYZHW-UHFFFAOYSA-N 2 2 421.589 4.129 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534929797 932843401 /nfs/dbraw/zinc/84/34/01/932843401.db2.gz DVFVCZPZWNGIGG-UXHICEINSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534929797 932843403 /nfs/dbraw/zinc/84/34/03/932843403.db2.gz DVFVCZPZWNGIGG-UXHICEINSA-N 2 2 410.965 4.280 20 0 HIADLP CSc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534932053 932844501 /nfs/dbraw/zinc/84/45/01/932844501.db2.gz KSLHPJCNCAEDAO-SFTDATJTSA-N 2 2 404.624 4.209 20 0 HIADLP CSc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534932053 932844506 /nfs/dbraw/zinc/84/45/06/932844506.db2.gz KSLHPJCNCAEDAO-SFTDATJTSA-N 2 2 404.624 4.209 20 0 HIADLP CN(C(=O)Nc1cc(Cl)ccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534935181 932845172 /nfs/dbraw/zinc/84/51/72/932845172.db2.gz ZDAKNOIPCPGTHO-UXHICEINSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cc(Cl)ccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534935181 932845174 /nfs/dbraw/zinc/84/51/74/932845174.db2.gz ZDAKNOIPCPGTHO-UXHICEINSA-N 2 2 410.965 4.280 20 0 HIADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000534948656 932853556 /nfs/dbraw/zinc/85/35/56/932853556.db2.gz SDQJQOZKJFIKMR-RTWAWAEBSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000534948656 932853562 /nfs/dbraw/zinc/85/35/62/932853562.db2.gz SDQJQOZKJFIKMR-RTWAWAEBSA-N 2 2 407.002 4.449 20 0 HIADLP O=c1[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc2cc(Cl)ccc12 ZINC000534962929 932863060 /nfs/dbraw/zinc/86/30/60/932863060.db2.gz MHHLHYPZMVQEOR-UHFFFAOYSA-N 2 2 422.960 4.477 20 0 HIADLP O=c1[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc2cc(Cl)ccc12 ZINC000534962929 932863062 /nfs/dbraw/zinc/86/30/62/932863062.db2.gz MHHLHYPZMVQEOR-UHFFFAOYSA-N 2 2 422.960 4.477 20 0 HIADLP CC(=O)N(c1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cs1)C1CC1 ZINC000534963341 932863246 /nfs/dbraw/zinc/86/32/46/932863246.db2.gz XPBSCEJKFPEYDY-UHFFFAOYSA-N 2 2 424.614 4.147 20 0 HIADLP CC(=O)N(c1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cs1)C1CC1 ZINC000534963341 932863249 /nfs/dbraw/zinc/86/32/49/932863249.db2.gz XPBSCEJKFPEYDY-UHFFFAOYSA-N 2 2 424.614 4.147 20 0 HIADLP Cc1cn2cc(NC(=O)NC[C@@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)ccc2[nH+]1 ZINC000534967039 932865746 /nfs/dbraw/zinc/86/57/46/932865746.db2.gz RGULTPZUSPMPGO-MGPUTAFESA-N 2 2 415.900 4.250 20 0 HIADLP Cc1cn2cc(NC(=O)NC[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)ccc2[nH+]1 ZINC000534967039 932865749 /nfs/dbraw/zinc/86/57/49/932865749.db2.gz RGULTPZUSPMPGO-MGPUTAFESA-N 2 2 415.900 4.250 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093264 932905758 /nfs/dbraw/zinc/90/57/58/932905758.db2.gz CMELUMAGARFXSO-PMACEKPBSA-N 2 2 417.981 4.495 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093264 932905774 /nfs/dbraw/zinc/90/57/74/932905774.db2.gz CMELUMAGARFXSO-PMACEKPBSA-N 2 2 417.981 4.495 20 0 HIADLP CN(C(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094470 932906936 /nfs/dbraw/zinc/90/69/36/932906936.db2.gz HBGGQNCYOJEWNB-VQTJNVASSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094470 932906947 /nfs/dbraw/zinc/90/69/47/932906947.db2.gz HBGGQNCYOJEWNB-VQTJNVASSA-N 2 2 412.405 4.403 20 0 HIADLP CCSc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096023 932911233 /nfs/dbraw/zinc/91/12/33/932911233.db2.gz NIYPGFBKSFIRCZ-DHIUTWEWSA-N 2 2 417.663 4.137 20 0 HIADLP CCSc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096023 932911241 /nfs/dbraw/zinc/91/12/41/932911241.db2.gz NIYPGFBKSFIRCZ-DHIUTWEWSA-N 2 2 417.663 4.137 20 0 HIADLP CCSCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097181 932912151 /nfs/dbraw/zinc/91/21/51/932912151.db2.gz SQGHXAJJKAPXPO-PKTZIBPZSA-N 2 2 417.663 4.349 20 0 HIADLP CCSCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097181 932912159 /nfs/dbraw/zinc/91/21/59/932912159.db2.gz SQGHXAJJKAPXPO-PKTZIBPZSA-N 2 2 417.663 4.349 20 0 HIADLP CC[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000535119318 932937357 /nfs/dbraw/zinc/93/73/57/932937357.db2.gz AHBJHHHBYAXNBE-QDSKXPNFSA-N 2 2 414.638 4.159 20 0 HIADLP CC[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000535119318 932937367 /nfs/dbraw/zinc/93/73/67/932937367.db2.gz AHBJHHHBYAXNBE-QDSKXPNFSA-N 2 2 414.638 4.159 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccccc1 ZINC000535323996 933072903 /nfs/dbraw/zinc/07/29/03/933072903.db2.gz AVRYUNZZMKRUEC-JOCHJYFZSA-N 2 2 401.514 4.026 20 0 HIADLP Cc1[nH+]ccn1CCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000535689274 933345154 /nfs/dbraw/zinc/34/51/54/933345154.db2.gz FLODMMGLMHKNET-UHFFFAOYSA-N 2 2 416.982 4.204 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850728 933431903 /nfs/dbraw/zinc/43/19/03/933431903.db2.gz LXEYSQTWFPGBGG-DNQXCXABSA-N 2 2 408.590 4.091 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850728 933431913 /nfs/dbraw/zinc/43/19/13/933431913.db2.gz LXEYSQTWFPGBGG-DNQXCXABSA-N 2 2 408.590 4.091 20 0 HIADLP CCCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535851622 933433714 /nfs/dbraw/zinc/43/37/14/933433714.db2.gz IWOUGLUZRASAFM-BJKOFHAPSA-N 2 2 415.622 4.275 20 0 HIADLP CCCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535851622 933433719 /nfs/dbraw/zinc/43/37/19/933433719.db2.gz IWOUGLUZRASAFM-BJKOFHAPSA-N 2 2 415.622 4.275 20 0 HIADLP CN(C(=O)c1cc2c(s1)CCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851564 933433755 /nfs/dbraw/zinc/43/37/55/933433755.db2.gz GPMKMRXHELXSAI-UXHICEINSA-N 2 2 403.636 4.036 20 0 HIADLP CN(C(=O)c1cc2c(s1)CCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851564 933433758 /nfs/dbraw/zinc/43/37/58/933433758.db2.gz GPMKMRXHELXSAI-UXHICEINSA-N 2 2 403.636 4.036 20 0 HIADLP Cc1ccc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535866304 933448861 /nfs/dbraw/zinc/44/88/61/933448861.db2.gz JRJQZJTYJJSDHF-QDSKXPNFSA-N 2 2 414.638 4.077 20 0 HIADLP Cc1ccc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535866304 933448866 /nfs/dbraw/zinc/44/88/66/933448866.db2.gz JRJQZJTYJJSDHF-QDSKXPNFSA-N 2 2 414.638 4.077 20 0 HIADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000535878194 933459896 /nfs/dbraw/zinc/45/98/96/933459896.db2.gz SYSICKDYRBCLBR-RBZQAINGSA-N 2 2 414.638 4.425 20 0 HIADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000535878194 933459902 /nfs/dbraw/zinc/45/99/02/933459902.db2.gz SYSICKDYRBCLBR-RBZQAINGSA-N 2 2 414.638 4.425 20 0 HIADLP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000536045887 933591634 /nfs/dbraw/zinc/59/16/34/933591634.db2.gz PZFDLBGYLVUYIO-UHFFFAOYSA-N 2 2 413.525 4.160 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000537617203 938334501 /nfs/dbraw/zinc/33/45/01/938334501.db2.gz VSDWOEOUATYZDZ-KUHUBIRLSA-N 2 2 405.384 4.166 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000537617203 938334507 /nfs/dbraw/zinc/33/45/07/938334507.db2.gz VSDWOEOUATYZDZ-KUHUBIRLSA-N 2 2 405.384 4.166 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000537617203 938334512 /nfs/dbraw/zinc/33/45/12/938334512.db2.gz VSDWOEOUATYZDZ-KUHUBIRLSA-N 2 2 405.384 4.166 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000537617203 938334515 /nfs/dbraw/zinc/33/45/15/938334515.db2.gz VSDWOEOUATYZDZ-KUHUBIRLSA-N 2 2 405.384 4.166 20 0 HIADLP CCC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537625230 938337731 /nfs/dbraw/zinc/33/77/31/938337731.db2.gz UNSWQBNOWUFQQQ-UHFFFAOYSA-N 2 2 404.562 4.365 20 0 HIADLP CCC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537625230 938337735 /nfs/dbraw/zinc/33/77/35/938337735.db2.gz UNSWQBNOWUFQQQ-UHFFFAOYSA-N 2 2 404.562 4.365 20 0 HIADLP CCC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537625230 938337740 /nfs/dbraw/zinc/33/77/40/938337740.db2.gz UNSWQBNOWUFQQQ-UHFFFAOYSA-N 2 2 404.562 4.365 20 0 HIADLP CCC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537625230 938337745 /nfs/dbraw/zinc/33/77/45/938337745.db2.gz UNSWQBNOWUFQQQ-UHFFFAOYSA-N 2 2 404.562 4.365 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)c2)CC1 ZINC000537670291 938350380 /nfs/dbraw/zinc/35/03/80/938350380.db2.gz GBICYTRNVUNEQB-UHFFFAOYSA-N 2 2 421.589 4.278 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000537698260 938357737 /nfs/dbraw/zinc/35/77/37/938357737.db2.gz VDLINKUJAVBIHN-HTAPYJJXSA-N 2 2 400.517 4.216 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000537698260 938357742 /nfs/dbraw/zinc/35/77/42/938357742.db2.gz VDLINKUJAVBIHN-HTAPYJJXSA-N 2 2 400.517 4.216 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000537698260 938357745 /nfs/dbraw/zinc/35/77/45/938357745.db2.gz VDLINKUJAVBIHN-HTAPYJJXSA-N 2 2 400.517 4.216 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000537698260 938357750 /nfs/dbraw/zinc/35/77/50/938357750.db2.gz VDLINKUJAVBIHN-HTAPYJJXSA-N 2 2 400.517 4.216 20 0 HIADLP Brc1ccc(-n2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000537697258 938358040 /nfs/dbraw/zinc/35/80/40/938358040.db2.gz NTKOLFKWHZYYDZ-LAUBAEHRSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000537697258 938358041 /nfs/dbraw/zinc/35/80/41/938358041.db2.gz NTKOLFKWHZYYDZ-LAUBAEHRSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2)cc1 ZINC000537697258 938358043 /nfs/dbraw/zinc/35/80/43/938358043.db2.gz NTKOLFKWHZYYDZ-LAUBAEHRSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000537697258 938358045 /nfs/dbraw/zinc/35/80/45/938358045.db2.gz NTKOLFKWHZYYDZ-LAUBAEHRSA-N 2 2 415.379 4.084 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000537952689 938430715 /nfs/dbraw/zinc/43/07/15/938430715.db2.gz PKBKLCPBOKUAFL-WOJBJXKFSA-N 2 2 419.573 4.270 20 0 HIADLP COc1ccc(Br)cc1-c1nc(C[N@H+](C)CCCn2cc[nH+]c2)cs1 ZINC000538118731 938507553 /nfs/dbraw/zinc/50/75/53/938507553.db2.gz KHMFUCRXLNGNBC-UHFFFAOYSA-N 2 2 421.364 4.300 20 0 HIADLP COc1ccc(Br)cc1-c1nc(C[N@@H+](C)CCCn2cc[nH+]c2)cs1 ZINC000538118731 938507560 /nfs/dbraw/zinc/50/75/60/938507560.db2.gz KHMFUCRXLNGNBC-UHFFFAOYSA-N 2 2 421.364 4.300 20 0 HIADLP CC[C@@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1nnc2n1CCCCC2 ZINC000538260916 938577551 /nfs/dbraw/zinc/57/75/51/938577551.db2.gz LIPHKPMMHNEGJN-WOJBJXKFSA-N 2 2 409.578 4.033 20 0 HIADLP CC(C)c1csc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538355524 938602407 /nfs/dbraw/zinc/60/24/07/938602407.db2.gz LVENPLBLAIYGMZ-MOPGFXCFSA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)c1csc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538355524 938602409 /nfs/dbraw/zinc/60/24/09/938602409.db2.gz LVENPLBLAIYGMZ-MOPGFXCFSA-N 2 2 407.628 4.067 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3C[C@H]4CCC(C)(C)c5cccc3c54)CC2)CC1 ZINC000538456883 938626644 /nfs/dbraw/zinc/62/66/44/938626644.db2.gz JUBNTXZVVAYVSX-WZONZLPQSA-N 2 2 424.633 4.144 20 0 HIADLP CC(C)[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000538507773 938638315 /nfs/dbraw/zinc/63/83/15/938638315.db2.gz CWWGYFROTYNDMM-TZIWHRDSSA-N 2 2 413.528 4.011 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000539040351 938778080 /nfs/dbraw/zinc/77/80/80/938778080.db2.gz PBCIKXAQOUHUHL-QRWLVFNGSA-N 2 2 406.343 4.026 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000539040351 938778081 /nfs/dbraw/zinc/77/80/81/938778081.db2.gz PBCIKXAQOUHUHL-QRWLVFNGSA-N 2 2 406.343 4.026 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2)cc1Cl ZINC000539219559 938820488 /nfs/dbraw/zinc/82/04/88/938820488.db2.gz RQIYIVBBVPNWOP-NRFANRHFSA-N 2 2 412.921 4.247 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2)cc1Cl ZINC000539219559 938820491 /nfs/dbraw/zinc/82/04/91/938820491.db2.gz RQIYIVBBVPNWOP-NRFANRHFSA-N 2 2 412.921 4.247 20 0 HIADLP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000539819073 938943017 /nfs/dbraw/zinc/94/30/17/938943017.db2.gz KIVNXJYTNUVZOF-IBGZPJMESA-N 2 2 403.368 4.085 20 0 HIADLP Brc1ccc(-n2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000539819073 938943020 /nfs/dbraw/zinc/94/30/20/938943020.db2.gz KIVNXJYTNUVZOF-IBGZPJMESA-N 2 2 403.368 4.085 20 0 HIADLP CC[N@H+](Cc1cc(-c2cccnc2)n[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539830068 938950136 /nfs/dbraw/zinc/95/01/36/938950136.db2.gz NFVOJQLWRMUSQM-UHFFFAOYSA-N 2 2 419.577 4.184 20 0 HIADLP CC[N@@H+](Cc1cc(-c2cccnc2)n[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539830068 938950143 /nfs/dbraw/zinc/95/01/43/938950143.db2.gz NFVOJQLWRMUSQM-UHFFFAOYSA-N 2 2 419.577 4.184 20 0 HIADLP COC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540047597 939049246 /nfs/dbraw/zinc/04/92/46/939049246.db2.gz WUTVQWQBVJCBSX-NRFANRHFSA-N 2 2 401.938 4.188 20 0 HIADLP COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540047597 939049248 /nfs/dbraw/zinc/04/92/48/939049248.db2.gz WUTVQWQBVJCBSX-NRFANRHFSA-N 2 2 401.938 4.188 20 0 HIADLP CC[N@H+](CCC1CC[NH+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1)CC1CC1 ZINC000540050814 939050649 /nfs/dbraw/zinc/05/06/49/939050649.db2.gz ZFPNOJZMIAXTQK-UHFFFAOYSA-N 2 2 408.546 4.416 20 0 HIADLP CC[N@@H+](CCC1CC[NH+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1)CC1CC1 ZINC000540050814 939050654 /nfs/dbraw/zinc/05/06/54/939050654.db2.gz ZFPNOJZMIAXTQK-UHFFFAOYSA-N 2 2 408.546 4.416 20 0 HIADLP CC(C)[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[N@@H+]1CCc2ccccc2C1 ZINC000540188255 939113395 /nfs/dbraw/zinc/11/33/95/939113395.db2.gz IAWKVAGYLHXDBE-BDPYJCKOSA-N 2 2 417.597 4.492 20 0 HIADLP CC(C)[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[N@H+]1CCc2ccccc2C1 ZINC000540188255 939113404 /nfs/dbraw/zinc/11/34/04/939113404.db2.gz IAWKVAGYLHXDBE-BDPYJCKOSA-N 2 2 417.597 4.492 20 0 HIADLP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000540315987 939191029 /nfs/dbraw/zinc/19/10/29/939191029.db2.gz ONQIMBLVOFDARC-QRWLVFNGSA-N 2 2 404.352 4.179 20 0 HIADLP CC[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccccc1OC(F)F ZINC000540352993 939204112 /nfs/dbraw/zinc/20/41/12/939204112.db2.gz UZOZZFHGNFYOEE-INIZCTEOSA-N 2 2 424.517 4.020 20 0 HIADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000540418389 939241181 /nfs/dbraw/zinc/24/11/81/939241181.db2.gz ZQUDKMDJARAHBK-DNQXCXABSA-N 2 2 423.582 4.044 20 0 HIADLP C[C@@H](CC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000540494678 939274557 /nfs/dbraw/zinc/27/45/57/939274557.db2.gz HDQRYNJFISTBKU-XUZZJYLKSA-N 3 2 407.602 4.475 20 0 HIADLP C[C@@H](CC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000540494678 939274562 /nfs/dbraw/zinc/27/45/62/939274562.db2.gz HDQRYNJFISTBKU-XUZZJYLKSA-N 3 2 407.602 4.475 20 0 HIADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(Br)c1 ZINC000540597036 939315309 /nfs/dbraw/zinc/31/53/09/939315309.db2.gz JNJIUOOVHWFUSA-MRXNPFEDSA-N 2 2 419.363 4.141 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1cccc(F)c1 ZINC000541406514 939507314 /nfs/dbraw/zinc/50/73/14/939507314.db2.gz CKUGVKRWYPJPMD-DENIHFKCSA-N 2 2 412.553 4.051 20 0 HIADLP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccccc1 ZINC000541457458 939521788 /nfs/dbraw/zinc/52/17/88/939521788.db2.gz BCDICJBUJFSTEN-OAQYLSRUSA-N 2 2 420.384 4.377 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH2+][C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000541602863 939566213 /nfs/dbraw/zinc/56/62/13/939566213.db2.gz BZHRZFIHKPMYKJ-RMRNXIRCSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH2+][C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000541602863 939566217 /nfs/dbraw/zinc/56/62/17/939566217.db2.gz BZHRZFIHKPMYKJ-RMRNXIRCSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541602863 939566221 /nfs/dbraw/zinc/56/62/21/939566221.db2.gz BZHRZFIHKPMYKJ-RMRNXIRCSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541602863 939566222 /nfs/dbraw/zinc/56/62/22/939566222.db2.gz BZHRZFIHKPMYKJ-RMRNXIRCSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541602860 939566362 /nfs/dbraw/zinc/56/63/62/939566362.db2.gz BZHRZFIHKPMYKJ-MRKXFKPJSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541602860 939566364 /nfs/dbraw/zinc/56/63/64/939566364.db2.gz BZHRZFIHKPMYKJ-MRKXFKPJSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541602860 939566368 /nfs/dbraw/zinc/56/63/68/939566368.db2.gz BZHRZFIHKPMYKJ-MRKXFKPJSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541602860 939566373 /nfs/dbraw/zinc/56/63/73/939566373.db2.gz BZHRZFIHKPMYKJ-MRKXFKPJSA-N 4 2 418.714 4.250 20 0 HIADLP CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178092 939745971 /nfs/dbraw/zinc/74/59/71/939745971.db2.gz CDWRBHUIQJWDDJ-XZOQPEGZSA-N 2 2 415.622 4.273 20 0 HIADLP CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178092 939745974 /nfs/dbraw/zinc/74/59/74/939745974.db2.gz CDWRBHUIQJWDDJ-XZOQPEGZSA-N 2 2 415.622 4.273 20 0 HIADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000542353796 939806020 /nfs/dbraw/zinc/80/60/20/939806020.db2.gz JWWNFLVEMXUXFS-UNMCSNQZSA-N 2 2 424.589 4.348 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542353908 939806187 /nfs/dbraw/zinc/80/61/87/939806187.db2.gz MQTICOMFWIAKTH-OFNKIYASSA-N 2 2 420.601 4.226 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542353908 939806188 /nfs/dbraw/zinc/80/61/88/939806188.db2.gz MQTICOMFWIAKTH-OFNKIYASSA-N 2 2 420.601 4.226 20 0 HIADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000542353794 939806229 /nfs/dbraw/zinc/80/62/29/939806229.db2.gz JWWNFLVEMXUXFS-IRLDBZIGSA-N 2 2 424.589 4.348 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000542660109 939852193 /nfs/dbraw/zinc/85/21/93/939852193.db2.gz CZUHIAQXSWHVLY-DHIUTWEWSA-N 2 2 409.555 4.055 20 0 HIADLP O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060323 939913735 /nfs/dbraw/zinc/91/37/35/939913735.db2.gz BKOXJWSXDLLZDM-SFHVURJKSA-N 2 2 412.361 4.122 20 0 HIADLP CN(C(=O)Cc1csc2ccccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543109454 939950028 /nfs/dbraw/zinc/95/00/28/939950028.db2.gz NOMQFVFBPNILGU-FCHUYYIVSA-N 2 2 413.631 4.239 20 0 HIADLP CN(C(=O)Cc1csc2ccccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543109454 939950041 /nfs/dbraw/zinc/95/00/41/939950041.db2.gz NOMQFVFBPNILGU-FCHUYYIVSA-N 2 2 413.631 4.239 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)o1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543130762 939962158 /nfs/dbraw/zinc/96/21/58/939962158.db2.gz YNDIHMVZNMODQG-FCHUYYIVSA-N 2 2 409.574 4.356 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543130762 939962168 /nfs/dbraw/zinc/96/21/68/939962168.db2.gz YNDIHMVZNMODQG-FCHUYYIVSA-N 2 2 409.574 4.356 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000543406808 940054970 /nfs/dbraw/zinc/05/49/70/940054970.db2.gz LVOYHNOQDMKHPT-SANMLTNESA-N 2 2 418.560 4.237 20 0 HIADLP Cc1cc([C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c2cccnc2)ccc1F ZINC000543426871 940060896 /nfs/dbraw/zinc/06/08/96/940060896.db2.gz MPIGGVARNPIITA-ZJSXRUAMSA-N 2 2 405.521 4.266 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)c2)cc[nH+]1 ZINC000543567838 940112522 /nfs/dbraw/zinc/11/25/22/940112522.db2.gz CJTRNOYYWFVJLL-UHFFFAOYSA-N 2 2 415.541 4.288 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952952 940267154 /nfs/dbraw/zinc/26/71/54/940267154.db2.gz OYSYDBJMEDBMJO-LVWPNOBMSA-N 2 2 423.523 4.010 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952952 940267165 /nfs/dbraw/zinc/26/71/65/940267165.db2.gz OYSYDBJMEDBMJO-LVWPNOBMSA-N 2 2 423.523 4.010 20 0 HIADLP CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952952 940267170 /nfs/dbraw/zinc/26/71/70/940267170.db2.gz OYSYDBJMEDBMJO-LVWPNOBMSA-N 2 2 423.523 4.010 20 0 HIADLP CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952952 940267181 /nfs/dbraw/zinc/26/71/81/940267181.db2.gz OYSYDBJMEDBMJO-LVWPNOBMSA-N 2 2 423.523 4.010 20 0 HIADLP CN(C(=O)c1ccc(SC2CC2)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544031962 940305221 /nfs/dbraw/zinc/30/52/21/940305221.db2.gz OHRVBXVJOAZMAW-PKTZIBPZSA-N 2 2 415.647 4.350 20 0 HIADLP CN(C(=O)c1ccc(SC2CC2)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544031962 940305229 /nfs/dbraw/zinc/30/52/29/940305229.db2.gz OHRVBXVJOAZMAW-PKTZIBPZSA-N 2 2 415.647 4.350 20 0 HIADLP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1cc(Br)ccc1F ZINC000544349657 940397026 /nfs/dbraw/zinc/39/70/26/940397026.db2.gz JGTNEGPBCPGQPS-UHFFFAOYSA-N 2 2 403.299 4.499 20 0 HIADLP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1cc(Br)ccc1F ZINC000544349657 940397031 /nfs/dbraw/zinc/39/70/31/940397031.db2.gz JGTNEGPBCPGQPS-UHFFFAOYSA-N 2 2 403.299 4.499 20 0 HIADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000544382053 940407119 /nfs/dbraw/zinc/40/71/19/940407119.db2.gz NEQFOGWTEUHNMR-SIKLNZKXSA-N 2 2 407.514 4.144 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000545209223 940556061 /nfs/dbraw/zinc/55/60/61/940556061.db2.gz OYRGSVFHRSBFFO-QUCCMNQESA-N 2 2 412.496 4.349 20 0 HIADLP CSCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545431085 940569543 /nfs/dbraw/zinc/56/95/43/940569543.db2.gz NFPNVSWQWRWEDT-FGZHOGPDSA-N 2 2 418.651 4.351 20 0 HIADLP CSCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545431085 940569544 /nfs/dbraw/zinc/56/95/44/940569544.db2.gz NFPNVSWQWRWEDT-FGZHOGPDSA-N 2 2 418.651 4.351 20 0 HIADLP C[C@@H]([NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000545866976 940644137 /nfs/dbraw/zinc/64/41/37/940644137.db2.gz IXQGZGIWHCWGCJ-HXOBKFHXSA-N 2 2 412.965 4.454 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000546619237 940861410 /nfs/dbraw/zinc/86/14/10/940861410.db2.gz QSDVTGHTSTVAFQ-OAQYLSRUSA-N 2 2 423.395 4.298 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc4oc5ccccc5c4c3)CC2)CC1 ZINC000547749971 941074465 /nfs/dbraw/zinc/07/44/65/941074465.db2.gz SCCPFYXTKSRIAU-UHFFFAOYSA-N 2 2 406.530 4.266 20 0 HIADLP CN(C(=O)c1coc(C2CCCCC2)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000547945450 941079977 /nfs/dbraw/zinc/07/99/77/941079977.db2.gz TVVHVUKSNUBEHW-FCHUYYIVSA-N 2 2 416.610 4.132 20 0 HIADLP CN(C(=O)c1coc(C2CCCCC2)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000547945450 941079980 /nfs/dbraw/zinc/07/99/80/941079980.db2.gz TVVHVUKSNUBEHW-FCHUYYIVSA-N 2 2 416.610 4.132 20 0 HIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C[C@@H]1c1ccccc1 ZINC000550797147 941368050 /nfs/dbraw/zinc/36/80/50/941368050.db2.gz MVQSIJQEWQUNLW-WOJBJXKFSA-N 2 2 401.348 4.309 20 0 HIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C[C@@H]1c1ccccc1 ZINC000550797147 941368053 /nfs/dbraw/zinc/36/80/53/941368053.db2.gz MVQSIJQEWQUNLW-WOJBJXKFSA-N 2 2 401.348 4.309 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000550897869 941380319 /nfs/dbraw/zinc/38/03/19/941380319.db2.gz JKJVNDZTVJGIFA-DVECYGJZSA-N 2 2 409.549 4.132 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)C[C@@H]1c1ccccc1 ZINC000551007096 941394426 /nfs/dbraw/zinc/39/44/26/941394426.db2.gz CYTWMDNTMMRPKE-UKILVPOCSA-N 2 2 417.553 4.465 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)C[C@@H]1c1ccccc1 ZINC000551007096 941394430 /nfs/dbraw/zinc/39/44/30/941394430.db2.gz CYTWMDNTMMRPKE-UKILVPOCSA-N 2 2 417.553 4.465 20 0 HIADLP C[NH+](C)Cc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1F ZINC000551787817 941545386 /nfs/dbraw/zinc/54/53/86/941545386.db2.gz YYAFGIVZCPRXLE-HSZRJFAPSA-N 2 2 409.480 4.496 20 0 HIADLP COc1ccc(C[C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)c1OC ZINC000552063862 941577361 /nfs/dbraw/zinc/57/73/61/941577361.db2.gz PZAZGFIXOAJAJP-FTXHTYHOSA-N 2 2 414.512 4.338 20 0 HIADLP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000552931505 941805226 /nfs/dbraw/zinc/80/52/26/941805226.db2.gz PKIPXQWQRWCZMD-FUHWJXTLSA-N 2 2 403.448 4.393 20 0 HIADLP CSCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000553276142 941859576 /nfs/dbraw/zinc/85/95/76/941859576.db2.gz KGNPSCMZOLKSHT-FGZHOGPDSA-N 2 2 418.651 4.351 20 0 HIADLP CSCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000553276142 941859577 /nfs/dbraw/zinc/85/95/77/941859577.db2.gz KGNPSCMZOLKSHT-FGZHOGPDSA-N 2 2 418.651 4.351 20 0 HIADLP CN(C(=O)Nc1cccc(-n2cccc2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000553614934 941921821 /nfs/dbraw/zinc/92/18/21/941921821.db2.gz BCTWRLFRNXGHGV-RPWUZVMVSA-N 2 2 423.605 4.278 20 0 HIADLP CN(C(=O)Nc1cccc(-n2cccc2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000553614934 941921825 /nfs/dbraw/zinc/92/18/25/941921825.db2.gz BCTWRLFRNXGHGV-RPWUZVMVSA-N 2 2 423.605 4.278 20 0 HIADLP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000553834334 941980332 /nfs/dbraw/zinc/98/03/32/941980332.db2.gz WVXYQDLLJYWREN-HSZRJFAPSA-N 2 2 422.960 4.369 20 0 HIADLP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000553834334 941980337 /nfs/dbraw/zinc/98/03/37/941980337.db2.gz WVXYQDLLJYWREN-HSZRJFAPSA-N 2 2 422.960 4.369 20 0 HIADLP CC(C)[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccccc1 ZINC000555369477 942499321 /nfs/dbraw/zinc/49/93/21/942499321.db2.gz NYBLNBLUUADMPP-OAQYLSRUSA-N 2 2 400.592 4.300 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000557531256 943193603 /nfs/dbraw/zinc/19/36/03/943193603.db2.gz YUDNSNGFTGMQGZ-UHFFFAOYSA-N 2 2 422.356 4.199 20 0 HIADLP O=C(CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(Br)cc1 ZINC000558657085 943624993 /nfs/dbraw/zinc/62/49/93/943624993.db2.gz LAJUBCFZFWJBSD-HXUWFJFHSA-N 2 2 416.363 4.204 20 0 HIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000559268204 943887983 /nfs/dbraw/zinc/88/79/83/943887983.db2.gz YSQQQNUGPSYSNA-LJQANCHMSA-N 2 2 413.993 4.492 20 0 HIADLP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000559617955 944018373 /nfs/dbraw/zinc/01/83/73/944018373.db2.gz COPHAEFEEMOEGV-VQTJNVASSA-N 2 2 400.885 4.081 20 0 HIADLP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000559617955 944018378 /nfs/dbraw/zinc/01/83/78/944018378.db2.gz COPHAEFEEMOEGV-VQTJNVASSA-N 2 2 400.885 4.081 20 0 HIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C[C@@H]1c1ccccc1 ZINC000559738805 944040941 /nfs/dbraw/zinc/04/09/41/944040941.db2.gz FNRPXFKHAHOUTA-ISKFKSNPSA-N 2 2 400.526 4.259 20 0 HIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C[C@@H]1c1ccccc1 ZINC000559738805 944040950 /nfs/dbraw/zinc/04/09/50/944040950.db2.gz FNRPXFKHAHOUTA-ISKFKSNPSA-N 2 2 400.526 4.259 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C[C@H]1c1ccccc1 ZINC000559738578 944041641 /nfs/dbraw/zinc/04/16/41/944041641.db2.gz BIJIISWWMNTBMK-URXFXBBRSA-N 2 2 400.526 4.259 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C[C@H]1c1ccccc1 ZINC000559738578 944041648 /nfs/dbraw/zinc/04/16/48/944041648.db2.gz BIJIISWWMNTBMK-URXFXBBRSA-N 2 2 400.526 4.259 20 0 HIADLP Fc1ccc([C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)c2cnn[nH]2)cc1 ZINC000559896262 944079038 /nfs/dbraw/zinc/07/90/38/944079038.db2.gz XPMCTUWBSPVVAI-VWLOTQADSA-N 2 2 421.564 4.358 20 0 HIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1Cl ZINC000560582388 944263669 /nfs/dbraw/zinc/26/36/69/944263669.db2.gz BOEHAMFNISDLFS-FUDCBSFHSA-N 2 2 418.796 4.381 20 0 HIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1Cl ZINC000560582388 944263680 /nfs/dbraw/zinc/26/36/80/944263680.db2.gz BOEHAMFNISDLFS-FUDCBSFHSA-N 2 2 418.796 4.381 20 0 HIADLP Cc1ccc(C)c([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c2ccccc2)c1 ZINC000560582316 944263758 /nfs/dbraw/zinc/26/37/58/944263758.db2.gz OTYIXYXCDVJXDU-COIMWPKTSA-N 2 2 405.586 4.066 20 0 HIADLP Cc1ccc(C)c([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c2ccccc2)c1 ZINC000560582316 944263765 /nfs/dbraw/zinc/26/37/65/944263765.db2.gz OTYIXYXCDVJXDU-COIMWPKTSA-N 2 2 405.586 4.066 20 0 HIADLP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000560648971 944284058 /nfs/dbraw/zinc/28/40/58/944284058.db2.gz VARXEKXTKXJFSE-HXUWFJFHSA-N 2 2 412.622 4.288 20 0 HIADLP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000560648971 944284070 /nfs/dbraw/zinc/28/40/70/944284070.db2.gz VARXEKXTKXJFSE-HXUWFJFHSA-N 2 2 412.622 4.288 20 0 HIADLP Cc1ccc([C@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000561206891 944514255 /nfs/dbraw/zinc/51/42/55/944514255.db2.gz YMTYIHKHFYXQOU-PKTZIBPZSA-N 2 2 402.542 4.193 20 0 HIADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000561216527 944517050 /nfs/dbraw/zinc/51/70/50/944517050.db2.gz XDSXHNZPNRQISQ-XMMPIXPASA-N 2 2 416.569 4.099 20 0 HIADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000561216527 944517058 /nfs/dbraw/zinc/51/70/58/944517058.db2.gz XDSXHNZPNRQISQ-XMMPIXPASA-N 2 2 416.569 4.099 20 0 HIADLP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(C(=O)c4ccccc4)c3)CC2)CC1 ZINC000564481638 945614083 /nfs/dbraw/zinc/61/40/83/945614083.db2.gz ONSWTZHNQHDHBR-UHFFFAOYSA-N 2 2 419.569 4.052 20 0 HIADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000567650661 946391936 /nfs/dbraw/zinc/39/19/36/946391936.db2.gz NHWFSJZQQWTUQR-RBUKOAKNSA-N 2 2 415.603 4.236 20 0 HIADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000567650661 946391945 /nfs/dbraw/zinc/39/19/45/946391945.db2.gz NHWFSJZQQWTUQR-RBUKOAKNSA-N 2 2 415.603 4.236 20 0 HIADLP CCOc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000567650661 946391961 /nfs/dbraw/zinc/39/19/61/946391961.db2.gz NHWFSJZQQWTUQR-RBUKOAKNSA-N 2 2 415.603 4.236 20 0 HIADLP CCOc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000567650661 946391979 /nfs/dbraw/zinc/39/19/79/946391979.db2.gz NHWFSJZQQWTUQR-RBUKOAKNSA-N 2 2 415.603 4.236 20 0 HIADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000568067987 946454961 /nfs/dbraw/zinc/45/49/61/946454961.db2.gz NPCYTQFLANHCPD-LJQANCHMSA-N 2 2 424.511 4.062 20 0 HIADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000568067987 946454985 /nfs/dbraw/zinc/45/49/85/946454985.db2.gz NPCYTQFLANHCPD-LJQANCHMSA-N 2 2 424.511 4.062 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000568419334 946536062 /nfs/dbraw/zinc/53/60/62/946536062.db2.gz DKXSCDMYRRPFCJ-CVDCTZTESA-N 2 2 424.564 4.121 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000568419334 946536073 /nfs/dbraw/zinc/53/60/73/946536073.db2.gz DKXSCDMYRRPFCJ-CVDCTZTESA-N 2 2 424.564 4.121 20 0 HIADLP c1nc(C[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n(-c2ccccc2)n1 ZINC000572144433 947850365 /nfs/dbraw/zinc/85/03/65/947850365.db2.gz QNPPEFBTIJZEOK-XWGVYQGASA-N 2 2 401.558 4.048 20 0 HIADLP c1nc(C[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n(-c2ccccc2)n1 ZINC000572144433 947850371 /nfs/dbraw/zinc/85/03/71/947850371.db2.gz QNPPEFBTIJZEOK-XWGVYQGASA-N 2 2 401.558 4.048 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000572767803 948005160 /nfs/dbraw/zinc/00/51/60/948005160.db2.gz UWHYQXPPHJWPGN-SJORKVTESA-N 2 2 401.938 4.153 20 0 HIADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000573110366 948080108 /nfs/dbraw/zinc/08/01/08/948080108.db2.gz VIHNPJYYHJDIKG-PZJWPPBQSA-N 2 2 413.993 4.319 20 0 HIADLP C[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000573110366 948080120 /nfs/dbraw/zinc/08/01/20/948080120.db2.gz VIHNPJYYHJDIKG-PZJWPPBQSA-N 2 2 413.993 4.319 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000573110364 948080890 /nfs/dbraw/zinc/08/08/90/948080890.db2.gz VIHNPJYYHJDIKG-CTNGQTDRSA-N 2 2 413.993 4.319 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000573110364 948080894 /nfs/dbraw/zinc/08/08/94/948080894.db2.gz VIHNPJYYHJDIKG-CTNGQTDRSA-N 2 2 413.993 4.319 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@H](C)c3ccccc3Cl)C2)s1 ZINC000574486317 948456571 /nfs/dbraw/zinc/45/65/71/948456571.db2.gz ZMKUVMSVQBUZDR-QZTJIDSGSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@H](C)c3ccccc3Cl)C2)s1 ZINC000574486317 948456577 /nfs/dbraw/zinc/45/65/77/948456577.db2.gz ZMKUVMSVQBUZDR-QZTJIDSGSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@H](C)c3ccccc3Cl)C2)s1 ZINC000574486317 948456585 /nfs/dbraw/zinc/45/65/85/948456585.db2.gz ZMKUVMSVQBUZDR-QZTJIDSGSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@H](C)c3ccccc3Cl)C2)s1 ZINC000574486317 948456589 /nfs/dbraw/zinc/45/65/89/948456589.db2.gz ZMKUVMSVQBUZDR-QZTJIDSGSA-N 2 2 420.022 4.341 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)[nH+]c2)CC1 ZINC000574715841 948510206 /nfs/dbraw/zinc/51/02/06/948510206.db2.gz QIJVRPZBFSARRU-VILGAWFOSA-N 3 2 419.617 4.220 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)[nH+]c2)CC1 ZINC000574715841 948510211 /nfs/dbraw/zinc/51/02/11/948510211.db2.gz QIJVRPZBFSARRU-VILGAWFOSA-N 3 2 419.617 4.220 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000575166601 948616967 /nfs/dbraw/zinc/61/69/67/948616967.db2.gz QKDZKZNPFPPBEC-MQSCRBSSSA-N 2 2 423.626 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000575166601 948616982 /nfs/dbraw/zinc/61/69/82/948616982.db2.gz QKDZKZNPFPPBEC-MQSCRBSSSA-N 2 2 423.626 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000575166601 948616999 /nfs/dbraw/zinc/61/69/99/948616999.db2.gz QKDZKZNPFPPBEC-MQSCRBSSSA-N 2 2 423.626 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000575166601 948617022 /nfs/dbraw/zinc/61/70/22/948617022.db2.gz QKDZKZNPFPPBEC-MQSCRBSSSA-N 2 2 423.626 4.038 20 0 HIADLP CCOC(=O)c1c(C)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c1C ZINC001165021632 721816168 /nfs/dbraw/zinc/81/61/68/721816168.db2.gz FKHOGQYHRSYWCG-ILWGZMRPSA-N 2 2 422.573 4.007 20 0 HIADLP CCOC(=O)c1c(C)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c1C ZINC001165021632 721816170 /nfs/dbraw/zinc/81/61/70/721816170.db2.gz FKHOGQYHRSYWCG-ILWGZMRPSA-N 2 2 422.573 4.007 20 0 HIADLP CCOC(=O)c1c(C)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c1C ZINC001165021634 721816379 /nfs/dbraw/zinc/81/63/79/721816379.db2.gz FKHOGQYHRSYWCG-NNWRFLSQSA-N 2 2 422.573 4.007 20 0 HIADLP CCOC(=O)c1c(C)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]c1C ZINC001165021634 721816381 /nfs/dbraw/zinc/81/63/81/721816381.db2.gz FKHOGQYHRSYWCG-NNWRFLSQSA-N 2 2 422.573 4.007 20 0 HIADLP COc1cc2[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)ccc2c(OC)c1 ZINC001164962667 722024259 /nfs/dbraw/zinc/02/42/59/722024259.db2.gz QSHXOSDEQLAJFD-UHFFFAOYSA-N 2 2 418.541 4.140 20 0 HIADLP COc1cc2[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ccc2c(OC)c1 ZINC001164962667 722024262 /nfs/dbraw/zinc/02/42/62/722024262.db2.gz QSHXOSDEQLAJFD-UHFFFAOYSA-N 2 2 418.541 4.140 20 0 HIADLP COc1cc2cc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2cc1F ZINC001164964073 722024698 /nfs/dbraw/zinc/02/46/98/722024698.db2.gz VHEVWHCHAZVJGT-UHFFFAOYSA-N 2 2 406.505 4.270 20 0 HIADLP COc1cc2cc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2cc1F ZINC001164964073 722024701 /nfs/dbraw/zinc/02/47/01/722024701.db2.gz VHEVWHCHAZVJGT-UHFFFAOYSA-N 2 2 406.505 4.270 20 0 HIADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436027007 861319742 /nfs/dbraw/zinc/31/97/42/861319742.db2.gz KMGNFEUIZZUOMI-UHFFFAOYSA-N 2 2 422.960 4.475 20 0 HIADLP CN(C(=O)C1CCC(C(F)(F)F)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436045924 861336523 /nfs/dbraw/zinc/33/65/23/861336523.db2.gz FTBDHTUSFFLMAA-TZJYRCSTSA-N 2 2 417.560 4.151 20 0 HIADLP CN(C(=O)C1CCC(C(F)(F)F)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436045924 861336536 /nfs/dbraw/zinc/33/65/36/861336536.db2.gz FTBDHTUSFFLMAA-TZJYRCSTSA-N 2 2 417.560 4.151 20 0 HIADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3c[nH]nc3-c3ccsc3)CC2)c1 ZINC000436227807 861530883 /nfs/dbraw/zinc/53/08/83/861530883.db2.gz MZVFYCLSAFTZJE-UHFFFAOYSA-N 2 2 415.994 4.094 20 0 HIADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436250686 861560626 /nfs/dbraw/zinc/56/06/26/861560626.db2.gz CZXHLUGYYJCJRQ-YLJYHZDGSA-N 2 2 412.883 4.331 20 0 HIADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436250686 861560632 /nfs/dbraw/zinc/56/06/32/861560632.db2.gz CZXHLUGYYJCJRQ-YLJYHZDGSA-N 2 2 412.883 4.331 20 0 HIADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026812611 847201727 /nfs/dbraw/zinc/20/17/27/847201727.db2.gz VYWLGGHPBIATPI-INIZCTEOSA-N 2 2 405.995 4.003 20 0 HIADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026812611 847201738 /nfs/dbraw/zinc/20/17/38/847201738.db2.gz VYWLGGHPBIATPI-INIZCTEOSA-N 2 2 405.995 4.003 20 0 HIADLP COc1cc(Br)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OC ZINC000030651834 847752302 /nfs/dbraw/zinc/75/23/02/847752302.db2.gz QPZYKPYZBFNANN-UHFFFAOYSA-N 2 2 416.319 4.001 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000042743644 848350790 /nfs/dbraw/zinc/35/07/90/848350790.db2.gz CJHULOIKVIUYQC-UHFFFAOYSA-N 2 2 403.954 4.123 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000042743644 848350803 /nfs/dbraw/zinc/35/08/03/848350803.db2.gz CJHULOIKVIUYQC-UHFFFAOYSA-N 2 2 403.954 4.123 20 0 HIADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)C1 ZINC000045976767 848762964 /nfs/dbraw/zinc/76/29/64/848762964.db2.gz AGKYIHCMXSPAFM-MSOLQXFVSA-N 2 2 407.628 4.009 20 0 HIADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)C1 ZINC000045976767 848762973 /nfs/dbraw/zinc/76/29/73/848762973.db2.gz AGKYIHCMXSPAFM-MSOLQXFVSA-N 2 2 407.628 4.009 20 0 HIADLP C[C@@H]1CCC[NH+](CCCCNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000045976767 848762980 /nfs/dbraw/zinc/76/29/80/848762980.db2.gz AGKYIHCMXSPAFM-MSOLQXFVSA-N 2 2 407.628 4.009 20 0 HIADLP C[C@@H]1CCC[NH+](CCCCNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000045976767 848762986 /nfs/dbraw/zinc/76/29/86/848762986.db2.gz AGKYIHCMXSPAFM-MSOLQXFVSA-N 2 2 407.628 4.009 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)cn1 ZINC000048782520 849268618 /nfs/dbraw/zinc/26/86/18/849268618.db2.gz RUAFOJKYQBBXFJ-UHFFFAOYSA-N 2 2 419.916 4.493 20 0 HIADLP Cc1cc2occ(CC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2cc1C(C)C ZINC000050802755 849411734 /nfs/dbraw/zinc/41/17/34/849411734.db2.gz MYBHBMYEJSQNGG-UHFFFAOYSA-N 2 2 411.590 4.082 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC2)CC1 ZINC000051760653 849513811 /nfs/dbraw/zinc/51/38/11/849513811.db2.gz IQGOTHLDKAPZNE-QFIPXVFZSA-N 2 2 418.601 4.161 20 0 HIADLP CC[NH+](CC)C1CC[NH+](C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000052049880 849544499 /nfs/dbraw/zinc/54/44/99/849544499.db2.gz NBKCAOQIMXJYKN-CLJLJLNGSA-N 2 2 410.602 4.268 20 0 HIADLP Cc1ccsc1C[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058372713 850811207 /nfs/dbraw/zinc/81/12/07/850811207.db2.gz WAUCEZKQVLKHOV-LJQANCHMSA-N 2 2 405.995 4.095 20 0 HIADLP Cc1ccsc1C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058372713 850811208 /nfs/dbraw/zinc/81/12/08/850811208.db2.gz WAUCEZKQVLKHOV-LJQANCHMSA-N 2 2 405.995 4.095 20 0 HIADLP Cc1nc(COc2ccc(C[NH2+]C[C@@H](C(C)C)[N@@H+]3CCc4ccccc4C3)cc2)no1 ZINC000063510473 851706571 /nfs/dbraw/zinc/70/65/71/851706571.db2.gz LXFGPUUCYXDCDX-DEOSSOPVSA-N 2 2 420.557 4.130 20 0 HIADLP Cc1nc(COc2ccc(C[NH2+]C[C@@H](C(C)C)[N@H+]3CCc4ccccc4C3)cc2)no1 ZINC000063510473 851706574 /nfs/dbraw/zinc/70/65/74/851706574.db2.gz LXFGPUUCYXDCDX-DEOSSOPVSA-N 2 2 420.557 4.130 20 0 HIADLP CN(c1ccccc1)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000437120610 862306932 /nfs/dbraw/zinc/30/69/32/862306932.db2.gz BCQOLJVAWODGQF-DHLKQENFSA-N 2 2 401.558 4.369 20 0 HIADLP CN(c1ccccc1)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cn1 ZINC000437120610 862306954 /nfs/dbraw/zinc/30/69/54/862306954.db2.gz BCQOLJVAWODGQF-DHLKQENFSA-N 2 2 401.558 4.369 20 0 HIADLP CN(c1ccccc1)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000437120610 862306965 /nfs/dbraw/zinc/30/69/65/862306965.db2.gz BCQOLJVAWODGQF-DHLKQENFSA-N 2 2 401.558 4.369 20 0 HIADLP CN(c1ccccc1)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000437120610 862306978 /nfs/dbraw/zinc/30/69/78/862306978.db2.gz BCQOLJVAWODGQF-DHLKQENFSA-N 2 2 401.558 4.369 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1Br ZINC000130173579 853372500 /nfs/dbraw/zinc/37/25/00/853372500.db2.gz UVFHRLLVSBCTCF-FPMFFAJLSA-N 2 2 402.174 4.489 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1Br ZINC000130173579 853372502 /nfs/dbraw/zinc/37/25/02/853372502.db2.gz UVFHRLLVSBCTCF-FPMFFAJLSA-N 2 2 402.174 4.489 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)O1 ZINC000139285106 853407484 /nfs/dbraw/zinc/40/74/84/853407484.db2.gz KZMUGNFGRYQJPV-WOJBJXKFSA-N 2 2 407.558 4.144 20 0 HIADLP COc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1OCc1c(C)noc1C ZINC000140465544 853446625 /nfs/dbraw/zinc/44/66/25/853446625.db2.gz XELFRAOMZRAQDV-UHFFFAOYSA-N 2 2 418.497 4.355 20 0 HIADLP COc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccc1OCC(F)(F)F ZINC000237278772 853995996 /nfs/dbraw/zinc/99/59/96/853995996.db2.gz KSHDYJNXRCCDTE-UHFFFAOYSA-N 2 2 405.420 4.171 20 0 HIADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000237562231 854055429 /nfs/dbraw/zinc/05/54/29/854055429.db2.gz KXHSQKYMOYPCHQ-HNNXBMFYSA-N 2 2 413.319 4.142 20 0 HIADLP COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)n2)c1 ZINC000237576060 854057114 /nfs/dbraw/zinc/05/71/14/854057114.db2.gz MMPURLZBQHICPQ-GOSISDBHSA-N 2 2 422.529 4.071 20 0 HIADLP CC[NH+](CC)CC(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000303060367 854743301 /nfs/dbraw/zinc/74/33/01/854743301.db2.gz XIQYZXHTJBTEAN-FQEVSTJZSA-N 2 2 417.644 4.027 20 0 HIADLP CC[NH+](CC)CC(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000303060367 854743308 /nfs/dbraw/zinc/74/33/08/854743308.db2.gz XIQYZXHTJBTEAN-FQEVSTJZSA-N 2 2 417.644 4.027 20 0 HIADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000303304650 854862163 /nfs/dbraw/zinc/86/21/63/854862163.db2.gz NNFPJHHYUBZXKY-UHFFFAOYSA-N 2 2 408.933 4.168 20 0 HIADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390862985 855458648 /nfs/dbraw/zinc/45/86/48/855458648.db2.gz LVCAIGGPVZYPFD-PGRDOPGGSA-N 2 2 417.391 4.261 20 0 HIADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390862985 855458652 /nfs/dbraw/zinc/45/86/52/855458652.db2.gz LVCAIGGPVZYPFD-PGRDOPGGSA-N 2 2 417.391 4.261 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000398016331 855473825 /nfs/dbraw/zinc/47/38/25/855473825.db2.gz HBPUQAOLYUIQDX-HNAYVOBHSA-N 2 2 418.335 4.358 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000398016331 855473827 /nfs/dbraw/zinc/47/38/27/855473827.db2.gz HBPUQAOLYUIQDX-HNAYVOBHSA-N 2 2 418.335 4.358 20 0 HIADLP Cc1ccc2cc([C@@H](C)[NH2+]Cc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)oc2c1 ZINC000425938490 856010183 /nfs/dbraw/zinc/01/01/83/856010183.db2.gz XHHHNHFCKQVJQO-LJQANCHMSA-N 2 2 421.541 4.253 20 0 HIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCS2 ZINC000427600890 856884171 /nfs/dbraw/zinc/88/41/71/856884171.db2.gz WCIOYKHJRCHICN-QFIPXVFZSA-N 2 2 412.599 4.341 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000427853324 856982219 /nfs/dbraw/zinc/98/22/19/856982219.db2.gz WPYHWYDVYTWEKQ-AUSIDOKSSA-N 2 2 415.603 4.154 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000427853324 856982229 /nfs/dbraw/zinc/98/22/29/856982229.db2.gz WPYHWYDVYTWEKQ-AUSIDOKSSA-N 2 2 415.603 4.154 20 0 HIADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+]C3(c4ccc(Cl)cc4)CC3)n2)CC1 ZINC000428328600 857155953 /nfs/dbraw/zinc/15/59/53/857155953.db2.gz ZFMBQVYKPAMYQD-UHFFFAOYSA-N 2 2 418.994 4.246 20 0 HIADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]Cc3ccc(OCc4ccncc4)cc3)C2)cc1 ZINC000428534046 857247323 /nfs/dbraw/zinc/24/73/23/857247323.db2.gz JQAHYDPXCMRNCI-SANMLTNESA-N 2 2 417.553 4.041 20 0 HIADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]Cc3ccc(OCc4ccncc4)cc3)C2)cc1 ZINC000428534046 857247339 /nfs/dbraw/zinc/24/73/39/857247339.db2.gz JQAHYDPXCMRNCI-SANMLTNESA-N 2 2 417.553 4.041 20 0 HIADLP Clc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000428554716 857264526 /nfs/dbraw/zinc/26/45/26/857264526.db2.gz TVGPXIWNPWNKHS-JOCHJYFZSA-N 2 2 410.949 4.111 20 0 HIADLP Clc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000428554716 857264530 /nfs/dbraw/zinc/26/45/30/857264530.db2.gz TVGPXIWNPWNKHS-JOCHJYFZSA-N 2 2 410.949 4.111 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000428689113 857297317 /nfs/dbraw/zinc/29/73/17/857297317.db2.gz BJYSXIVZAXLDCA-UHFFFAOYSA-N 2 2 411.594 4.053 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000429247463 857573053 /nfs/dbraw/zinc/57/30/53/857573053.db2.gz VXPHUJQDEATMNH-INIZCTEOSA-N 2 2 410.518 4.134 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC000429247463 857573060 /nfs/dbraw/zinc/57/30/60/857573060.db2.gz VXPHUJQDEATMNH-INIZCTEOSA-N 2 2 410.518 4.134 20 0 HIADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429436670 857667061 /nfs/dbraw/zinc/66/70/61/857667061.db2.gz WWZLPYCTIWBSEB-GMAHTHKFSA-N 2 2 423.601 4.408 20 0 HIADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429436670 857667069 /nfs/dbraw/zinc/66/70/69/857667069.db2.gz WWZLPYCTIWBSEB-GMAHTHKFSA-N 2 2 423.601 4.408 20 0 HIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CO)c3ccc(Br)c(F)c3)CC2)C1 ZINC000430154261 858055164 /nfs/dbraw/zinc/05/51/64/858055164.db2.gz ZMKBCSWGCYUYFG-LIVBEALHSA-N 2 2 413.375 4.254 20 0 HIADLP CC[N@@H+](Cc1cnc(-c2ccccc2OC)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000430231028 858089428 /nfs/dbraw/zinc/08/94/28/858089428.db2.gz AYAXYXJWUNAOJZ-JOCHJYFZSA-N 2 2 416.569 4.496 20 0 HIADLP CC[N@H+](Cc1cnc(-c2ccccc2OC)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000430231028 858089433 /nfs/dbraw/zinc/08/94/33/858089433.db2.gz AYAXYXJWUNAOJZ-JOCHJYFZSA-N 2 2 416.569 4.496 20 0 HIADLP CC[NH+](Cc1cnc(-c2ccccc2OC)nc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000430231028 858089438 /nfs/dbraw/zinc/08/94/38/858089438.db2.gz AYAXYXJWUNAOJZ-JOCHJYFZSA-N 2 2 416.569 4.496 20 0 HIADLP CC[NH+](Cc1cnc(-c2ccccc2OC)nc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000430231028 858089442 /nfs/dbraw/zinc/08/94/42/858089442.db2.gz AYAXYXJWUNAOJZ-JOCHJYFZSA-N 2 2 416.569 4.496 20 0 HIADLP Cc1oc(-c2cccs2)nc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430928318 858372977 /nfs/dbraw/zinc/37/29/77/858372977.db2.gz SVZMXCIDVSAXLF-UHFFFAOYSA-N 3 2 416.635 4.340 20 0 HIADLP Cc1oc(-c2cccs2)nc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430928318 858372980 /nfs/dbraw/zinc/37/29/80/858372980.db2.gz SVZMXCIDVSAXLF-UHFFFAOYSA-N 3 2 416.635 4.340 20 0 HIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000431215994 858509257 /nfs/dbraw/zinc/50/92/57/858509257.db2.gz KKINMTYOKUWCGH-IEIRFRATSA-N 2 2 416.610 4.102 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2)CC1 ZINC000433588358 859797922 /nfs/dbraw/zinc/79/79/22/859797922.db2.gz WHQICJKRYPZHQE-HSZRJFAPSA-N 2 2 408.546 4.041 20 0 HIADLP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434684774 860459236 /nfs/dbraw/zinc/45/92/36/860459236.db2.gz MXCYYFYGPCLOBP-MRXNPFEDSA-N 2 2 409.509 4.273 20 0 HIADLP C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434684773 860459430 /nfs/dbraw/zinc/45/94/30/860459430.db2.gz MXCYYFYGPCLOBP-INIZCTEOSA-N 2 2 409.509 4.273 20 0 HIADLP CC(C)(C)c1ccc(CCNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434687580 860461621 /nfs/dbraw/zinc/46/16/21/860461621.db2.gz FCBZSIYEZLJIIA-UHFFFAOYSA-N 2 2 422.617 4.055 20 0 HIADLP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688998 860461856 /nfs/dbraw/zinc/46/18/56/860461856.db2.gz RUNZOBWRYFAXQN-FXAWDEMLSA-N 2 2 412.603 4.213 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434746327 860479770 /nfs/dbraw/zinc/47/97/70/860479770.db2.gz MYUOHOOWWKYLJG-OAHLLOKOSA-N 2 2 416.953 4.088 20 0 HIADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000434989075 860588442 /nfs/dbraw/zinc/58/84/42/860588442.db2.gz ZLFRXUGDMBRVLN-UHFFFAOYSA-N 2 2 409.393 4.066 20 0 HIADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccccc3Br)s2)CC1 ZINC000434989075 860588452 /nfs/dbraw/zinc/58/84/52/860588452.db2.gz ZLFRXUGDMBRVLN-UHFFFAOYSA-N 2 2 409.393 4.066 20 0 HIADLP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(Br)c1O ZINC000435060651 860621719 /nfs/dbraw/zinc/62/17/19/860621719.db2.gz UQZIWNZTMCYVFC-UHFFFAOYSA-N 2 2 420.351 4.076 20 0 HIADLP C[N@@H+]1CCO[C@@H]([C@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC000467753238 881562386 /nfs/dbraw/zinc/56/23/86/881562386.db2.gz OGWPPFLONJZKAO-DNQXCXABSA-N 2 2 413.993 4.097 20 0 HIADLP C[N@H+]1CCO[C@@H]([C@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC000467753238 881562411 /nfs/dbraw/zinc/56/24/11/881562411.db2.gz OGWPPFLONJZKAO-DNQXCXABSA-N 2 2 413.993 4.097 20 0 HIADLP C[N@@H+]1CCO[C@H]([C@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC000467753237 881562891 /nfs/dbraw/zinc/56/28/91/881562891.db2.gz OGWPPFLONJZKAO-BJKOFHAPSA-N 2 2 413.993 4.097 20 0 HIADLP C[N@H+]1CCO[C@H]([C@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC000467753237 881562922 /nfs/dbraw/zinc/56/29/22/881562922.db2.gz OGWPPFLONJZKAO-BJKOFHAPSA-N 2 2 413.993 4.097 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000467846612 881691165 /nfs/dbraw/zinc/69/11/65/881691165.db2.gz PCRNCFPWNUMRAT-QGZVFWFLSA-N 2 2 408.464 4.267 20 0 HIADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000438344668 863814990 /nfs/dbraw/zinc/81/49/90/863814990.db2.gz JILXTZZZDCLCSH-OEMFJLHTSA-N 2 2 421.589 4.208 20 0 HIADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000438344668 863814992 /nfs/dbraw/zinc/81/49/92/863814992.db2.gz JILXTZZZDCLCSH-OEMFJLHTSA-N 2 2 421.589 4.208 20 0 HIADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000438344669 863815299 /nfs/dbraw/zinc/81/52/99/863815299.db2.gz JILXTZZZDCLCSH-QPTUXGOLSA-N 2 2 421.589 4.208 20 0 HIADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000438344669 863815303 /nfs/dbraw/zinc/81/53/03/863815303.db2.gz JILXTZZZDCLCSH-QPTUXGOLSA-N 2 2 421.589 4.208 20 0 HIADLP C[C@@H](OC[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000440455189 865758904 /nfs/dbraw/zinc/75/89/04/865758904.db2.gz WDNBIHBHZWBBMP-NTKDMRAZSA-N 2 2 416.993 4.375 20 0 HIADLP C[C@@H](OC[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000440455189 865758910 /nfs/dbraw/zinc/75/89/10/865758910.db2.gz WDNBIHBHZWBBMP-NTKDMRAZSA-N 2 2 416.993 4.375 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441361228 866431189 /nfs/dbraw/zinc/43/11/89/866431189.db2.gz FRJBDPUXVMZUBM-SIKLNZKXSA-N 2 2 406.530 4.257 20 0 HIADLP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441377627 866446668 /nfs/dbraw/zinc/44/66/68/866446668.db2.gz MCCQDVBWDZJWJB-FDDCHVKYSA-N 2 2 404.514 4.061 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000441394256 866466052 /nfs/dbraw/zinc/46/60/52/866466052.db2.gz KCONQVOOPDISHZ-LGPLSSKUSA-N 2 2 417.597 4.035 20 0 HIADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000441394256 866466069 /nfs/dbraw/zinc/46/60/69/866466069.db2.gz KCONQVOOPDISHZ-LGPLSSKUSA-N 2 2 417.597 4.035 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000441394256 866466084 /nfs/dbraw/zinc/46/60/84/866466084.db2.gz KCONQVOOPDISHZ-LGPLSSKUSA-N 2 2 417.597 4.035 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000441394256 866466093 /nfs/dbraw/zinc/46/60/93/866466093.db2.gz KCONQVOOPDISHZ-LGPLSSKUSA-N 2 2 417.597 4.035 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406723 866481324 /nfs/dbraw/zinc/48/13/24/866481324.db2.gz NBFLPFNQVXPBJW-ILWHBRQTSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406723 866481334 /nfs/dbraw/zinc/48/13/34/866481334.db2.gz NBFLPFNQVXPBJW-ILWHBRQTSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406723 866481345 /nfs/dbraw/zinc/48/13/45/866481345.db2.gz NBFLPFNQVXPBJW-ILWHBRQTSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406723 866481356 /nfs/dbraw/zinc/48/13/56/866481356.db2.gz NBFLPFNQVXPBJW-ILWHBRQTSA-N 2 2 405.586 4.354 20 0 HIADLP CN(C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416665 866492117 /nfs/dbraw/zinc/49/21/17/866492117.db2.gz PLPQTOPIVRQLBH-NOZRDPDXSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416665 866492123 /nfs/dbraw/zinc/49/21/23/866492123.db2.gz PLPQTOPIVRQLBH-NOZRDPDXSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416665 866492129 /nfs/dbraw/zinc/49/21/29/866492129.db2.gz PLPQTOPIVRQLBH-NOZRDPDXSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416665 866492134 /nfs/dbraw/zinc/49/21/34/866492134.db2.gz PLPQTOPIVRQLBH-NOZRDPDXSA-N 2 2 417.597 4.183 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000441500316 866583033 /nfs/dbraw/zinc/58/30/33/866583033.db2.gz OGPLLYRWGYKJKR-RUZDIDTESA-N 2 2 416.569 4.270 20 0 HIADLP COCCC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)cc1 ZINC000442871637 867707507 /nfs/dbraw/zinc/70/75/07/867707507.db2.gz IEVVGDPBZLFLAG-JOCHJYFZSA-N 2 2 400.542 4.331 20 0 HIADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443595717 868148980 /nfs/dbraw/zinc/14/89/80/868148980.db2.gz UBLMUAXIGHJJTO-QGZVFWFLSA-N 2 2 422.411 4.364 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000444208138 868666835 /nfs/dbraw/zinc/66/68/35/868666835.db2.gz XOCCKJGKGQMJMC-QFIPXVFZSA-N 2 2 423.605 4.274 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000444208138 868666840 /nfs/dbraw/zinc/66/68/40/868666840.db2.gz XOCCKJGKGQMJMC-QFIPXVFZSA-N 2 2 423.605 4.274 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000444214395 868670002 /nfs/dbraw/zinc/67/00/02/868670002.db2.gz PIPBFFYJJDJLQX-RBBKRZOGSA-N 2 2 423.601 4.003 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000444214395 868670008 /nfs/dbraw/zinc/67/00/08/868670008.db2.gz PIPBFFYJJDJLQX-RBBKRZOGSA-N 2 2 423.601 4.003 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000444214396 868670374 /nfs/dbraw/zinc/67/03/74/868670374.db2.gz PIPBFFYJJDJLQX-UNMCSNQZSA-N 2 2 423.601 4.003 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000444214396 868670398 /nfs/dbraw/zinc/67/03/98/868670398.db2.gz PIPBFFYJJDJLQX-UNMCSNQZSA-N 2 2 423.601 4.003 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444799822 869015702 /nfs/dbraw/zinc/01/57/02/869015702.db2.gz IHIFNBAZUOMOJI-REWPJTCUSA-N 2 2 418.541 4.297 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444799822 869015716 /nfs/dbraw/zinc/01/57/16/869015716.db2.gz IHIFNBAZUOMOJI-REWPJTCUSA-N 2 2 418.541 4.297 20 0 HIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C)c(Br)c2)[C@@H]1c1cnn(C)c1 ZINC000445989115 869953761 /nfs/dbraw/zinc/95/37/61/869953761.db2.gz RKYGCZNUTMDDPQ-GHTZIAJQSA-N 2 2 419.411 4.396 20 0 HIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C)c(Br)c2)[C@@H]1c1cnn(C)c1 ZINC000445989115 869953774 /nfs/dbraw/zinc/95/37/74/869953774.db2.gz RKYGCZNUTMDDPQ-GHTZIAJQSA-N 2 2 419.411 4.396 20 0 HIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C)c(Br)c2)[C@@H]1c1cnn(C)c1 ZINC000445989115 869953789 /nfs/dbraw/zinc/95/37/89/869953789.db2.gz RKYGCZNUTMDDPQ-GHTZIAJQSA-N 2 2 419.411 4.396 20 0 HIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C)c(Br)c2)[C@@H]1c1cnn(C)c1 ZINC000445989115 869953794 /nfs/dbraw/zinc/95/37/94/869953794.db2.gz RKYGCZNUTMDDPQ-GHTZIAJQSA-N 2 2 419.411 4.396 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2ccccc2CC[NH+](C)C)c(C)c1 ZINC000446565858 870478589 /nfs/dbraw/zinc/47/85/89/870478589.db2.gz QFDBDGUCHVFRCK-QHCPKHFHSA-N 2 2 405.546 4.167 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Br)cc1F ZINC000446757398 870670560 /nfs/dbraw/zinc/67/05/60/870670560.db2.gz AYTSPAQOCBRKKH-OAHLLOKOSA-N 2 2 407.327 4.271 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2ccc(-c3ccccc3Cl)o2)([NH+]2CCCCC2)CC1 ZINC000460496801 873182286 /nfs/dbraw/zinc/18/22/86/873182286.db2.gz MAFODUFSXZHIPX-UHFFFAOYSA-N 2 2 415.965 4.280 20 0 HIADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cnn1C(C)C ZINC000468818413 882875250 /nfs/dbraw/zinc/87/52/50/882875250.db2.gz FBWQHNKCLRWCGR-SFHVURJKSA-N 2 2 404.002 4.289 20 0 HIADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000462002226 875123447 /nfs/dbraw/zinc/12/34/47/875123447.db2.gz KXUINANRYJSVNB-KRWDZBQOSA-N 2 2 423.964 4.006 20 0 HIADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000462002226 875123452 /nfs/dbraw/zinc/12/34/52/875123452.db2.gz KXUINANRYJSVNB-KRWDZBQOSA-N 2 2 423.964 4.006 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)CC1 ZINC000462903361 875927965 /nfs/dbraw/zinc/92/79/65/875927965.db2.gz PRLPDUNODKBIIK-UHFFFAOYSA-N 2 2 412.361 4.024 20 0 HIADLP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1cc(F)cc(Br)c1 ZINC000462904845 875931085 /nfs/dbraw/zinc/93/10/85/875931085.db2.gz WSTJLCBYYAWNDF-GOSISDBHSA-N 2 2 415.347 4.047 20 0 HIADLP C[NH+]1CCC(CNc2nc3cc(C(F)(F)F)ccc3s2)([NH+]2CCCCC2)CC1 ZINC000463073310 876104197 /nfs/dbraw/zinc/10/41/97/876104197.db2.gz IHJQQOZQVRYGAP-UHFFFAOYSA-N 2 2 412.525 4.677 20 0 HIADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463113044 876151916 /nfs/dbraw/zinc/15/19/16/876151916.db2.gz BFAKKIYVDRXRJB-IBGZPJMESA-N 2 2 411.565 4.151 20 0 HIADLP CC1CCN(c2ccc(C[NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)cn2)CC1 ZINC000463130272 876175013 /nfs/dbraw/zinc/17/50/13/876175013.db2.gz GJZTVNISUYVQNY-UHFFFAOYSA-N 2 2 410.581 4.254 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CCCC1 ZINC000463136379 876185497 /nfs/dbraw/zinc/18/54/97/876185497.db2.gz DJMDGDSBGUFQEW-PFATUAPWSA-N 2 2 407.602 4.475 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CCCC1 ZINC000463136379 876185513 /nfs/dbraw/zinc/18/55/13/876185513.db2.gz DJMDGDSBGUFQEW-PFATUAPWSA-N 2 2 407.602 4.475 20 0 HIADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463140551 876192032 /nfs/dbraw/zinc/19/20/32/876192032.db2.gz LGSCNYIQBSCEAI-UHFFFAOYSA-N 2 2 420.576 4.484 20 0 HIADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000463158130 876210414 /nfs/dbraw/zinc/21/04/14/876210414.db2.gz CJIZBDAKHXLHTM-HKUYNNGSSA-N 2 2 418.632 4.035 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccc(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463189062 876246909 /nfs/dbraw/zinc/24/69/09/876246909.db2.gz IDBAQVTZLRSKPQ-TYCQWZJGSA-N 2 2 403.364 4.125 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cccc(Br)c2)CC[N@H+]1Cc1ccccc1 ZINC000463189062 876246922 /nfs/dbraw/zinc/24/69/22/876246922.db2.gz IDBAQVTZLRSKPQ-TYCQWZJGSA-N 2 2 403.364 4.125 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463193306 876250628 /nfs/dbraw/zinc/25/06/28/876250628.db2.gz RQWBCOYQYOBRJT-GJZUVCINSA-N 2 2 419.613 4.110 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463193306 876250643 /nfs/dbraw/zinc/25/06/43/876250643.db2.gz RQWBCOYQYOBRJT-GJZUVCINSA-N 2 2 419.613 4.110 20 0 HIADLP COc1cccc([C@H]2[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CCN2C2CC2)c1 ZINC000463280359 876337686 /nfs/dbraw/zinc/33/76/86/876337686.db2.gz LNIYIHUFYOPNFH-SVBPBHIXSA-N 2 2 419.613 4.270 20 0 HIADLP COc1cccc([C@@H]2[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CCN2C2CC2)c1 ZINC000463280358 876338609 /nfs/dbraw/zinc/33/86/09/876338609.db2.gz LNIYIHUFYOPNFH-RRPNLBNLSA-N 2 2 419.613 4.270 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000463284408 876343138 /nfs/dbraw/zinc/34/31/38/876343138.db2.gz RFXFRNKDDSJLFE-LJQANCHMSA-N 2 2 423.557 4.007 20 0 HIADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463697397 876816574 /nfs/dbraw/zinc/81/65/74/876816574.db2.gz IQTJMOITTMOHDN-QFIPXVFZSA-N 2 2 417.557 4.181 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)c2C)cc1 ZINC000463741391 876862578 /nfs/dbraw/zinc/86/25/78/876862578.db2.gz JMNAZUUYBVDZDL-UHFFFAOYSA-N 2 2 401.514 4.032 20 0 HIADLP Cc1ccc(-c2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c(F)c2)cc1C ZINC000503239050 912217957 /nfs/dbraw/zinc/21/79/57/912217957.db2.gz GDTAAIFTYAHCBQ-UHFFFAOYSA-N 2 2 411.565 4.208 20 0 HIADLP Cc1ccc(-c2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c(F)c2)cc1C ZINC000503239050 912217982 /nfs/dbraw/zinc/21/79/82/912217982.db2.gz GDTAAIFTYAHCBQ-UHFFFAOYSA-N 2 2 411.565 4.208 20 0 HIADLP CC[N@H+](CCCc1nc(-c2ccccc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810084 878061076 /nfs/dbraw/zinc/06/10/76/878061076.db2.gz OKJFVTVNAVRDCW-UHFFFAOYSA-N 2 2 405.546 4.303 20 0 HIADLP CC[N@@H+](CCCc1nc(-c2ccccc2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810084 878061090 /nfs/dbraw/zinc/06/10/90/878061090.db2.gz OKJFVTVNAVRDCW-UHFFFAOYSA-N 2 2 405.546 4.303 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464838504 878102937 /nfs/dbraw/zinc/10/29/37/878102937.db2.gz NKELHTVWLIYQCO-DHLKQENFSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464838504 878102943 /nfs/dbraw/zinc/10/29/43/878102943.db2.gz NKELHTVWLIYQCO-DHLKQENFSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464838504 878102947 /nfs/dbraw/zinc/10/29/47/878102947.db2.gz NKELHTVWLIYQCO-DHLKQENFSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464838504 878102954 /nfs/dbraw/zinc/10/29/54/878102954.db2.gz NKELHTVWLIYQCO-DHLKQENFSA-N 2 2 419.613 4.268 20 0 HIADLP CCN(C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H](C)c1ccc(F)cc1 ZINC000464843579 878115307 /nfs/dbraw/zinc/11/53/07/878115307.db2.gz WHJWDHXROCZLCA-IRLDBZIGSA-N 2 2 411.565 4.189 20 0 HIADLP CCN(C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H](C)c1ccc(F)cc1 ZINC000464843579 878115333 /nfs/dbraw/zinc/11/53/33/878115333.db2.gz WHJWDHXROCZLCA-IRLDBZIGSA-N 2 2 411.565 4.189 20 0 HIADLP CCN(C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C)c1ccc(F)cc1 ZINC000464843579 878115346 /nfs/dbraw/zinc/11/53/46/878115346.db2.gz WHJWDHXROCZLCA-IRLDBZIGSA-N 2 2 411.565 4.189 20 0 HIADLP CCN(C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C)c1ccc(F)cc1 ZINC000464843579 878115368 /nfs/dbraw/zinc/11/53/68/878115368.db2.gz WHJWDHXROCZLCA-IRLDBZIGSA-N 2 2 411.565 4.189 20 0 HIADLP C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503372086 912353194 /nfs/dbraw/zinc/35/31/94/912353194.db2.gz JCWLSEOIRSCYGL-LQBOVUBWSA-N 2 2 417.981 4.191 20 0 HIADLP C[C@H](OC[C@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503372086 912353215 /nfs/dbraw/zinc/35/32/15/912353215.db2.gz JCWLSEOIRSCYGL-LQBOVUBWSA-N 2 2 417.981 4.191 20 0 HIADLP Brc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503378365 912361674 /nfs/dbraw/zinc/36/16/74/912361674.db2.gz PZBVCFVOVRCYHU-INIZCTEOSA-N 2 2 404.352 4.240 20 0 HIADLP Brc1ccc(OCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503378365 912361695 /nfs/dbraw/zinc/36/16/95/912361695.db2.gz PZBVCFVOVRCYHU-INIZCTEOSA-N 2 2 404.352 4.240 20 0 HIADLP O[C@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503409304 912390613 /nfs/dbraw/zinc/39/06/13/912390613.db2.gz JOXVAMQUXGRDNZ-IEBWSBKVSA-N 2 2 407.480 4.021 20 0 HIADLP O[C@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503409304 912390633 /nfs/dbraw/zinc/39/06/33/912390633.db2.gz JOXVAMQUXGRDNZ-IEBWSBKVSA-N 2 2 407.480 4.021 20 0 HIADLP C[NH+]1CCC(CNC(=O)NC(c2ccccc2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465440966 878872797 /nfs/dbraw/zinc/87/27/97/878872797.db2.gz QKNFWXROZAAGBW-UHFFFAOYSA-N 2 2 420.601 4.026 20 0 HIADLP C[N@H+](Cc1ccccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C1CCCCC1 ZINC000503417328 912403846 /nfs/dbraw/zinc/40/38/46/912403846.db2.gz BRFFDWUZAYRSOB-UHFFFAOYSA-N 2 2 409.578 4.194 20 0 HIADLP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C1CCCCC1 ZINC000503417328 912403877 /nfs/dbraw/zinc/40/38/77/912403877.db2.gz BRFFDWUZAYRSOB-UHFFFAOYSA-N 2 2 409.578 4.194 20 0 HIADLP C[NH+]1CCC(CNC(=O)N[C@H](CC(C)(C)C)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465541142 879002508 /nfs/dbraw/zinc/00/25/08/879002508.db2.gz KNUVPVJRUSSQMW-JOCHJYFZSA-N 2 2 414.638 4.413 20 0 HIADLP CCN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@@H](C)c1ccc(F)cc1 ZINC000503430272 912427420 /nfs/dbraw/zinc/42/74/20/912427420.db2.gz KMGUMNLTJBTDRU-AZUAARDMSA-N 2 2 412.553 4.148 20 0 HIADLP CCN(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@@H](C)c1ccc(F)cc1 ZINC000503430272 912427478 /nfs/dbraw/zinc/42/74/78/912427478.db2.gz KMGUMNLTJBTDRU-AZUAARDMSA-N 2 2 412.553 4.148 20 0 HIADLP Clc1cc(CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc2c1OCCCO2 ZINC000503436749 912444927 /nfs/dbraw/zinc/44/49/27/912444927.db2.gz OSKDOZIKXSTGSP-GOSISDBHSA-N 2 2 415.965 4.456 20 0 HIADLP Clc1cc(CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc2c1OCCCO2 ZINC000503436749 912444939 /nfs/dbraw/zinc/44/49/39/912444939.db2.gz OSKDOZIKXSTGSP-GOSISDBHSA-N 2 2 415.965 4.456 20 0 HIADLP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000503438375 912449483 /nfs/dbraw/zinc/44/94/83/912449483.db2.gz HDPWNXWTCPOKDZ-PGRDOPGGSA-N 2 2 410.537 4.042 20 0 HIADLP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000503438375 912449490 /nfs/dbraw/zinc/44/94/90/912449490.db2.gz HDPWNXWTCPOKDZ-PGRDOPGGSA-N 2 2 410.537 4.042 20 0 HIADLP CC[C@H](C)[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465803167 879414583 /nfs/dbraw/zinc/41/45/83/879414583.db2.gz CEGBBFKXFYEIGC-JTSKRJEESA-N 2 2 421.029 4.285 20 0 HIADLP CC[C@H](C)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466076632 879787949 /nfs/dbraw/zinc/78/79/49/879787949.db2.gz ONCZOXFRRVSDLA-UWJYYQICSA-N 2 2 409.018 4.095 20 0 HIADLP CC[C@H](C)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466076632 879787958 /nfs/dbraw/zinc/78/79/58/879787958.db2.gz ONCZOXFRRVSDLA-UWJYYQICSA-N 2 2 409.018 4.095 20 0 HIADLP CCCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC000466135794 879846803 /nfs/dbraw/zinc/84/68/03/879846803.db2.gz CMRXBQPORQFXQA-QHCPKHFHSA-N 2 2 412.622 4.046 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2OC2CCCC2)([NH+]2CCCCC2)CC1 ZINC000466146589 879854601 /nfs/dbraw/zinc/85/46/01/879854601.db2.gz WRKQBQBFKITHOC-UHFFFAOYSA-N 2 2 414.594 4.080 20 0 HIADLP CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000466734532 880517742 /nfs/dbraw/zinc/51/77/42/880517742.db2.gz DUSJQOUUTKXSMD-IBGZPJMESA-N 2 2 400.567 4.147 20 0 HIADLP CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000466734532 880517752 /nfs/dbraw/zinc/51/77/52/880517752.db2.gz DUSJQOUUTKXSMD-IBGZPJMESA-N 2 2 400.567 4.147 20 0 HIADLP C[NH+](C)Cc1cc(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)ccc1F ZINC000469509584 883763447 /nfs/dbraw/zinc/76/34/47/883763447.db2.gz ADPGLUPNZRVXMH-UHFFFAOYSA-N 2 2 419.544 4.206 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000469751567 883911123 /nfs/dbraw/zinc/91/11/23/883911123.db2.gz IXLNVPLIAXINOR-HYBUGGRVSA-N 2 2 423.605 4.440 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000469751567 883911141 /nfs/dbraw/zinc/91/11/41/883911141.db2.gz IXLNVPLIAXINOR-HYBUGGRVSA-N 2 2 423.605 4.440 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000469773239 883947159 /nfs/dbraw/zinc/94/71/59/883947159.db2.gz WLFPMQVJQIAXIH-VCBZYWHSSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000469773239 883947172 /nfs/dbraw/zinc/94/71/72/883947172.db2.gz WLFPMQVJQIAXIH-VCBZYWHSSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N(c2ccccc2)C2CCCCC2)[C@H](C)C1 ZINC000469788410 883962860 /nfs/dbraw/zinc/96/28/60/883962860.db2.gz AQFRYWMZSNGMJK-ZJSXRUAMSA-N 2 2 415.622 4.079 20 0 HIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N(c2ccccc2)C2CCCCC2)[C@H](C)C1 ZINC000469788410 883962876 /nfs/dbraw/zinc/96/28/76/883962876.db2.gz AQFRYWMZSNGMJK-ZJSXRUAMSA-N 2 2 415.622 4.079 20 0 HIADLP CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000470101649 884360204 /nfs/dbraw/zinc/36/02/04/884360204.db2.gz DSOGKXOOQBYCEQ-UHFFFAOYSA-N 2 2 419.529 4.006 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000470515530 884905670 /nfs/dbraw/zinc/90/56/70/884905670.db2.gz CCVPIQGEFKZGQY-UHFFFAOYSA-N 2 2 415.541 4.021 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471174637 885734518 /nfs/dbraw/zinc/73/45/18/885734518.db2.gz ADCWYTPORSIFPU-IEBWSBKVSA-N 2 2 421.570 4.304 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471174637 885734535 /nfs/dbraw/zinc/73/45/35/885734535.db2.gz ADCWYTPORSIFPU-IEBWSBKVSA-N 2 2 421.570 4.304 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471962895 886787725 /nfs/dbraw/zinc/78/77/25/886787725.db2.gz GIGYFUFAHSASBL-SFTDATJTSA-N 2 2 418.944 4.150 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471962895 886787742 /nfs/dbraw/zinc/78/77/42/886787742.db2.gz GIGYFUFAHSASBL-SFTDATJTSA-N 2 2 418.944 4.150 20 0 HIADLP CC[NH+](CC)[C@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccccc1 ZINC000504268690 913129005 /nfs/dbraw/zinc/12/90/05/913129005.db2.gz ZVMTVVGDAGSKIY-QFIPXVFZSA-N 2 2 406.530 4.000 20 0 HIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465941 887325875 /nfs/dbraw/zinc/32/58/75/887325875.db2.gz UHNWEXOGTBEMIG-XUZZJYLKSA-N 2 2 411.634 4.311 20 0 HIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465941 887325895 /nfs/dbraw/zinc/32/58/95/887325895.db2.gz UHNWEXOGTBEMIG-XUZZJYLKSA-N 2 2 411.634 4.311 20 0 HIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465941 887325906 /nfs/dbraw/zinc/32/59/06/887325906.db2.gz UHNWEXOGTBEMIG-XUZZJYLKSA-N 2 2 411.634 4.311 20 0 HIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465941 887325921 /nfs/dbraw/zinc/32/59/21/887325921.db2.gz UHNWEXOGTBEMIG-XUZZJYLKSA-N 2 2 411.634 4.311 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000473500960 888226065 /nfs/dbraw/zinc/22/60/65/888226065.db2.gz ZOQGBMQBTUOOMK-SANMLTNESA-N 2 2 414.553 4.309 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000473500960 888226075 /nfs/dbraw/zinc/22/60/75/888226075.db2.gz ZOQGBMQBTUOOMK-SANMLTNESA-N 2 2 414.553 4.309 20 0 HIADLP CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474063370 888896699 /nfs/dbraw/zinc/89/66/99/888896699.db2.gz ZPECSBVWQKAJSK-HYBUGGRVSA-N 2 2 417.557 4.239 20 0 HIADLP CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474063370 888896705 /nfs/dbraw/zinc/89/67/05/888896705.db2.gz ZPECSBVWQKAJSK-HYBUGGRVSA-N 2 2 417.557 4.239 20 0 HIADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000474895301 889753771 /nfs/dbraw/zinc/75/37/71/889753771.db2.gz GMMDITFFYCHKGN-HNNXBMFYSA-N 2 2 412.484 4.494 20 0 HIADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000474895301 889753782 /nfs/dbraw/zinc/75/37/82/889753782.db2.gz GMMDITFFYCHKGN-HNNXBMFYSA-N 2 2 412.484 4.494 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[N@@H+]3CCC[C@@H](C)C3)cc1)C2 ZINC000474905519 889766529 /nfs/dbraw/zinc/76/65/29/889766529.db2.gz KEEDYOPTDLAIRK-WIYYLYMNSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[N@H+]3CCC[C@@H](C)C3)cc1)C2 ZINC000474905519 889766535 /nfs/dbraw/zinc/76/65/35/889766535.db2.gz KEEDYOPTDLAIRK-WIYYLYMNSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[N@@H+]3CCC[C@@H](C)C3)cc1)CC2 ZINC000474905519 889766538 /nfs/dbraw/zinc/76/65/38/889766538.db2.gz KEEDYOPTDLAIRK-WIYYLYMNSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[N@H+]3CCC[C@@H](C)C3)cc1)CC2 ZINC000474905519 889766543 /nfs/dbraw/zinc/76/65/43/889766543.db2.gz KEEDYOPTDLAIRK-WIYYLYMNSA-N 2 2 408.590 4.186 20 0 HIADLP COc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc(Br)c1OC(F)F ZINC000475121733 889978638 /nfs/dbraw/zinc/97/86/38/889978638.db2.gz RYPGJJAYBDRZDY-UHFFFAOYSA-N 2 2 419.310 4.119 20 0 HIADLP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc(Br)c1OC(F)F ZINC000475121733 889978656 /nfs/dbraw/zinc/97/86/56/889978656.db2.gz RYPGJJAYBDRZDY-UHFFFAOYSA-N 2 2 419.310 4.119 20 0 HIADLP Cn1c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000475279882 890177174 /nfs/dbraw/zinc/17/71/74/890177174.db2.gz OYNXECUOFHLUKD-KRWDZBQOSA-N 2 2 402.464 4.204 20 0 HIADLP Cn1c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000475279882 890177196 /nfs/dbraw/zinc/17/71/96/890177196.db2.gz OYNXECUOFHLUKD-KRWDZBQOSA-N 2 2 402.464 4.204 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(C[N@H+](C)Cc3ccccc3)CC1)C2 ZINC000475606874 890534754 /nfs/dbraw/zinc/53/47/54/890534754.db2.gz LGLRXWKQOSEPRP-OAQYLSRUSA-N 2 2 408.590 4.009 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc3ccccc3)CC1)C2 ZINC000475606874 890534757 /nfs/dbraw/zinc/53/47/57/890534757.db2.gz LGLRXWKQOSEPRP-OAQYLSRUSA-N 2 2 408.590 4.009 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(C[N@H+](C)Cc3ccccc3)CC1)CC2 ZINC000475606874 890534765 /nfs/dbraw/zinc/53/47/65/890534765.db2.gz LGLRXWKQOSEPRP-OAQYLSRUSA-N 2 2 408.590 4.009 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(C[N@@H+](C)Cc3ccccc3)CC1)CC2 ZINC000475606874 890534772 /nfs/dbraw/zinc/53/47/72/890534772.db2.gz LGLRXWKQOSEPRP-OAQYLSRUSA-N 2 2 408.590 4.009 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)C2 ZINC000476461181 891372642 /nfs/dbraw/zinc/37/26/42/891372642.db2.gz RUPUEXRXDLQSIO-HMXCVIKNSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)C2 ZINC000476461181 891372660 /nfs/dbraw/zinc/37/26/60/891372660.db2.gz RUPUEXRXDLQSIO-HMXCVIKNSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC000476461181 891372675 /nfs/dbraw/zinc/37/26/75/891372675.db2.gz RUPUEXRXDLQSIO-HMXCVIKNSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CC2 ZINC000476461181 891372688 /nfs/dbraw/zinc/37/26/88/891372688.db2.gz RUPUEXRXDLQSIO-HMXCVIKNSA-N 2 2 408.590 4.055 20 0 HIADLP CCC1(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000476461591 891373498 /nfs/dbraw/zinc/37/34/98/891373498.db2.gz PSZVDADLALOVDD-NRFANRHFSA-N 2 2 422.617 4.447 20 0 HIADLP CCC1(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000476461591 891373512 /nfs/dbraw/zinc/37/35/12/891373512.db2.gz PSZVDADLALOVDD-NRFANRHFSA-N 2 2 422.617 4.447 20 0 HIADLP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1)CC(C)C ZINC000476593719 891527228 /nfs/dbraw/zinc/52/72/28/891527228.db2.gz AIBZHVIOCBEFHZ-FQEVSTJZSA-N 2 2 402.627 4.245 20 0 HIADLP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1)CC(C)C ZINC000476593719 891527255 /nfs/dbraw/zinc/52/72/55/891527255.db2.gz AIBZHVIOCBEFHZ-FQEVSTJZSA-N 2 2 402.627 4.245 20 0 HIADLP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1)CC(C)C ZINC000476593719 891527276 /nfs/dbraw/zinc/52/72/76/891527276.db2.gz AIBZHVIOCBEFHZ-FQEVSTJZSA-N 2 2 402.627 4.245 20 0 HIADLP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1)CC(C)C ZINC000476593719 891527296 /nfs/dbraw/zinc/52/72/96/891527296.db2.gz AIBZHVIOCBEFHZ-FQEVSTJZSA-N 2 2 402.627 4.245 20 0 HIADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476984687 891910759 /nfs/dbraw/zinc/91/07/59/891910759.db2.gz YOBQVFXYBBFNJH-KDOFPFPSSA-N 2 2 409.958 4.025 20 0 HIADLP CC(C)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000479067736 894331264 /nfs/dbraw/zinc/33/12/64/894331264.db2.gz NCUXBUQQCUTUOV-HSZRJFAPSA-N 2 2 404.501 4.163 20 0 HIADLP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000479331005 894623233 /nfs/dbraw/zinc/62/32/33/894623233.db2.gz ODZXGULKTBMXRQ-QFIPXVFZSA-N 2 2 415.375 4.449 20 0 HIADLP COCCc1nc(C)c([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000479472478 894794037 /nfs/dbraw/zinc/79/40/37/894794037.db2.gz CJHOFJIEEOJGRA-JQRITLKVSA-N 2 2 405.530 4.096 20 0 HIADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000479503158 894819200 /nfs/dbraw/zinc/81/92/00/894819200.db2.gz NOAYFSMOVZURTC-PBPGXSGUSA-N 3 2 413.528 4.083 20 0 HIADLP OC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1OC(F)(F)F ZINC000479534077 894839913 /nfs/dbraw/zinc/83/99/13/894839913.db2.gz VAIJEDUMQAXKNE-HUUJSLGLSA-N 2 2 420.475 4.404 20 0 HIADLP OC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1OC(F)(F)F ZINC000479534077 894839915 /nfs/dbraw/zinc/83/99/15/894839915.db2.gz VAIJEDUMQAXKNE-HUUJSLGLSA-N 2 2 420.475 4.404 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N1CCCC1 ZINC000479877814 895220366 /nfs/dbraw/zinc/22/03/66/895220366.db2.gz YTKKRCFLCMKOHE-TUSQITKMSA-N 2 2 407.602 4.332 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N1CCCC1 ZINC000479877814 895220387 /nfs/dbraw/zinc/22/03/87/895220387.db2.gz YTKKRCFLCMKOHE-TUSQITKMSA-N 2 2 407.602 4.332 20 0 HIADLP C[C@@H](c1cccc(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1)[NH+]1CCOCC1 ZINC000480542104 895903608 /nfs/dbraw/zinc/90/36/08/895903608.db2.gz RQZPRFLWEVXEQK-FQEVSTJZSA-N 2 2 416.610 4.246 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000480609457 895975811 /nfs/dbraw/zinc/97/58/11/895975811.db2.gz LERWZYKTRQBCHI-OAHLLOKOSA-N 2 2 406.357 4.232 20 0 HIADLP COc1ccc(C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccc(OC)cc2)cc1 ZINC000480754448 896116150 /nfs/dbraw/zinc/11/61/50/896116150.db2.gz KRRRVIUNODZHME-DEOSSOPVSA-N 2 2 405.542 4.353 20 0 HIADLP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481176362 896511424 /nfs/dbraw/zinc/51/14/24/896511424.db2.gz RISXEARRJIRURC-XLIONFOSSA-N 2 2 415.965 4.096 20 0 HIADLP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481176362 896511441 /nfs/dbraw/zinc/51/14/41/896511441.db2.gz RISXEARRJIRURC-XLIONFOSSA-N 2 2 415.965 4.096 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481178111 896515825 /nfs/dbraw/zinc/51/58/25/896515825.db2.gz FTOWUJDLMZQZMY-OXQOHEQNSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481178111 896515844 /nfs/dbraw/zinc/51/58/44/896515844.db2.gz FTOWUJDLMZQZMY-OXQOHEQNSA-N 2 2 405.464 4.144 20 0 HIADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ccccc12 ZINC000481196799 896550165 /nfs/dbraw/zinc/55/01/65/896550165.db2.gz XQNUJQHJZUPPKZ-FQEVSTJZSA-N 2 2 420.553 4.410 20 0 HIADLP Clc1cccc2c1SCC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481207703 896560015 /nfs/dbraw/zinc/56/00/15/896560015.db2.gz WKHTUWYZONBSAS-HXUWFJFHSA-N 2 2 418.990 4.378 20 0 HIADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cnn1-c1ccc(F)cc1 ZINC000481324189 896680589 /nfs/dbraw/zinc/68/05/89/896680589.db2.gz QSNLPAWKYUTERX-GOSISDBHSA-N 2 2 408.521 4.003 20 0 HIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000481395484 896803119 /nfs/dbraw/zinc/80/31/19/896803119.db2.gz BSNFSILKOXSQQP-DNVCBOLYSA-N 2 2 408.384 4.020 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1nc(-c2ccccc2)cs1 ZINC000481416706 896819542 /nfs/dbraw/zinc/81/95/42/896819542.db2.gz IJIZBBXNEWXSBZ-LJQANCHMSA-N 2 2 423.582 4.372 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1nc(-c2ccccc2)cs1 ZINC000481416705 896819714 /nfs/dbraw/zinc/81/97/14/896819714.db2.gz IJIZBBXNEWXSBZ-IBGZPJMESA-N 2 2 423.582 4.372 20 0 HIADLP COc1ccc2oc([C@@H](C)[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)c(C)c2c1 ZINC000481422738 896825039 /nfs/dbraw/zinc/82/50/39/896825039.db2.gz LLCXHBIBPLMYNF-LJQANCHMSA-N 2 2 424.541 4.312 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000481559261 896932734 /nfs/dbraw/zinc/93/27/34/896932734.db2.gz FDSYZXQNTWHPRE-MBSDFSHPSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000481559261 896932742 /nfs/dbraw/zinc/93/27/42/896932742.db2.gz FDSYZXQNTWHPRE-MBSDFSHPSA-N 2 2 406.505 4.408 20 0 HIADLP c1ccc2c(c1)CO[C@@]21CCC[NH+](CCC[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)C1 ZINC000481698081 897086077 /nfs/dbraw/zinc/08/60/77/897086077.db2.gz SPQNQHVMBQQNJG-KAYWLYCHSA-N 2 2 418.581 4.420 20 0 HIADLP c1ccc2c(c1)CO[C@@]21CCC[NH+](CCC[N@H+]2CCC[C@]3(C2)OCc2ccccc23)C1 ZINC000481698081 897086091 /nfs/dbraw/zinc/08/60/91/897086091.db2.gz SPQNQHVMBQQNJG-KAYWLYCHSA-N 2 2 418.581 4.420 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481731779 897125010 /nfs/dbraw/zinc/12/50/10/897125010.db2.gz DNDZBKDJBBYZAY-ATIYNZHBSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481731779 897125029 /nfs/dbraw/zinc/12/50/29/897125029.db2.gz DNDZBKDJBBYZAY-ATIYNZHBSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc2ccccc2c1OC(F)F ZINC000482028075 897436033 /nfs/dbraw/zinc/43/60/33/897436033.db2.gz AGQOKEBCVISCBT-OXQOHEQNSA-N 2 2 419.516 4.035 20 0 HIADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc2ccccc2c1OC(F)F ZINC000482028075 897436038 /nfs/dbraw/zinc/43/60/38/897436038.db2.gz AGQOKEBCVISCBT-OXQOHEQNSA-N 2 2 419.516 4.035 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000482815815 898424861 /nfs/dbraw/zinc/42/48/61/898424861.db2.gz XTBNXBIWRIAPSR-UHFFFAOYSA-N 2 2 403.368 4.050 20 0 HIADLP O=C1Nc2ccccc2C12CCC([NH2+]CC1([NH+]3CCSCC3)CCCCC1)CC2 ZINC000482888548 898504394 /nfs/dbraw/zinc/50/43/94/898504394.db2.gz RPWNHHWSRVSICW-UHFFFAOYSA-N 2 2 413.631 4.160 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000482946346 898571300 /nfs/dbraw/zinc/57/13/00/898571300.db2.gz KNBSYOAIRNVLKX-ROUUACIJSA-N 2 2 403.592 4.228 20 0 HIADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1OC1CCCC1 ZINC000482951321 898579556 /nfs/dbraw/zinc/57/95/56/898579556.db2.gz UCPPGNXMKLDEQJ-WMZHIEFXSA-N 2 2 409.574 4.412 20 0 HIADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1OC1CCCC1 ZINC000482951321 898579562 /nfs/dbraw/zinc/57/95/62/898579562.db2.gz UCPPGNXMKLDEQJ-WMZHIEFXSA-N 2 2 409.574 4.412 20 0 HIADLP C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505580459 914286789 /nfs/dbraw/zinc/28/67/89/914286789.db2.gz GQTGZYXWGQUTPO-HARLFGEKSA-N 2 2 408.590 4.301 20 0 HIADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000483407213 899038483 /nfs/dbraw/zinc/03/84/83/899038483.db2.gz RQIBSGSHINADAS-HXUWFJFHSA-N 2 2 411.615 4.256 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C3CCCC3)cc1)CCC2 ZINC000483447134 899082232 /nfs/dbraw/zinc/08/22/32/899082232.db2.gz ZPWSRQNRIVLKHQ-PKOBYXMFSA-N 2 2 401.576 4.136 20 0 HIADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000483483023 899132300 /nfs/dbraw/zinc/13/23/00/899132300.db2.gz UFODCQOUKPUOSU-AHRSYUTCSA-N 2 2 410.389 4.073 20 0 HIADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000483483023 899132315 /nfs/dbraw/zinc/13/23/15/899132315.db2.gz UFODCQOUKPUOSU-AHRSYUTCSA-N 2 2 410.389 4.073 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000483483023 899132327 /nfs/dbraw/zinc/13/23/27/899132327.db2.gz UFODCQOUKPUOSU-AHRSYUTCSA-N 2 2 410.389 4.073 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000483483023 899132334 /nfs/dbraw/zinc/13/23/34/899132334.db2.gz UFODCQOUKPUOSU-AHRSYUTCSA-N 2 2 410.389 4.073 20 0 HIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1ccc(Br)cc1 ZINC000483812324 899489709 /nfs/dbraw/zinc/48/97/09/899489709.db2.gz ZCRYEQDQVVLEBM-LZJOCLMNSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1ccc(Br)cc1 ZINC000483812324 899489728 /nfs/dbraw/zinc/48/97/28/899489728.db2.gz ZCRYEQDQVVLEBM-LZJOCLMNSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483830219 899508962 /nfs/dbraw/zinc/50/89/62/899508962.db2.gz CQAIWTPICDOKCD-WMZOPIPTSA-N 2 2 419.447 4.273 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000484060154 899694272 /nfs/dbraw/zinc/69/42/72/899694272.db2.gz URFHGIQYDKGTGN-JOCHJYFZSA-N 2 2 404.514 4.101 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000484060154 899694283 /nfs/dbraw/zinc/69/42/83/899694283.db2.gz URFHGIQYDKGTGN-JOCHJYFZSA-N 2 2 404.514 4.101 20 0 HIADLP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)c(C)c2c1 ZINC000484151009 899772689 /nfs/dbraw/zinc/77/26/89/899772689.db2.gz ZLTPKSUMVCGPEE-GREBRCKQSA-N 2 2 408.542 4.283 20 0 HIADLP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)c(C)c2c1 ZINC000484151009 899772697 /nfs/dbraw/zinc/77/26/97/899772697.db2.gz ZLTPKSUMVCGPEE-GREBRCKQSA-N 2 2 408.542 4.283 20 0 HIADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000484285638 899852203 /nfs/dbraw/zinc/85/22/03/899852203.db2.gz WAFYVDXMQJYWNX-LJQANCHMSA-N 2 2 401.514 4.461 20 0 HIADLP CCOc1ccc(NC(=O)CC[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000485444936 900740628 /nfs/dbraw/zinc/74/06/28/900740628.db2.gz ZCJBGDVVANWECK-UHFFFAOYSA-N 2 2 410.562 4.047 20 0 HIADLP CCOc1ccc(NC(=O)CC[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000485444936 900740635 /nfs/dbraw/zinc/74/06/35/900740635.db2.gz ZCJBGDVVANWECK-UHFFFAOYSA-N 2 2 410.562 4.047 20 0 HIADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000485687619 900939151 /nfs/dbraw/zinc/93/91/51/900939151.db2.gz NOGNJBFEVIFZIM-FQEVSTJZSA-N 2 2 404.514 4.197 20 0 HIADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000485687619 900939164 /nfs/dbraw/zinc/93/91/64/900939164.db2.gz NOGNJBFEVIFZIM-FQEVSTJZSA-N 2 2 404.514 4.197 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2cccc(C[NH+](C)[C@H]3CC[N@@H+](CC)[C@H](C)C3)c2)C[C@@H]1C ZINC000489251736 903288476 /nfs/dbraw/zinc/28/84/76/903288476.db2.gz FXKOIGBOQHTJQZ-CEWHCAETSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2cccc(C[NH+](C)[C@H]3CC[N@H+](CC)[C@H](C)C3)c2)C[C@@H]1C ZINC000489251736 903288484 /nfs/dbraw/zinc/28/84/84/903288484.db2.gz FXKOIGBOQHTJQZ-CEWHCAETSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C[NH+](C)[C@@H]3CC[NH+](CC)[C@@H](C)C3)c2)C[C@H]1C ZINC000489251736 903288492 /nfs/dbraw/zinc/28/84/92/903288492.db2.gz FXKOIGBOQHTJQZ-CEWHCAETSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C[NH+](C)[C@@H]3CC[NH+](CC)[C@@H](C)C3)c2)C[C@H]1C ZINC000489251736 903288498 /nfs/dbraw/zinc/28/84/98/903288498.db2.gz FXKOIGBOQHTJQZ-CEWHCAETSA-N 4 2 414.682 4.296 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000489454054 903392357 /nfs/dbraw/zinc/39/23/57/903392357.db2.gz CJCVZCDBTWGJDW-GOSISDBHSA-N 2 2 423.536 4.494 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000489454054 903392365 /nfs/dbraw/zinc/39/23/65/903392365.db2.gz CJCVZCDBTWGJDW-GOSISDBHSA-N 2 2 423.536 4.494 20 0 HIADLP c1cc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)cc(C[NH+]2CCOCC2)c1 ZINC000489574618 903473231 /nfs/dbraw/zinc/47/32/31/903473231.db2.gz SJVZLTGGIZHBAM-RUZDIDTESA-N 2 2 406.570 4.401 20 0 HIADLP CC(=O)N1CC[C@H]([NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c2ccccc2C1 ZINC000490118858 903775162 /nfs/dbraw/zinc/77/51/62/903775162.db2.gz MBKUWHJQGYWGEM-IZZNHLLZSA-N 2 2 405.586 4.152 20 0 HIADLP CC(=O)N1CC[C@H]([NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c2ccccc2C1 ZINC000490118858 903775168 /nfs/dbraw/zinc/77/51/68/903775168.db2.gz MBKUWHJQGYWGEM-IZZNHLLZSA-N 2 2 405.586 4.152 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C[C@@H](C)O1 ZINC000490121039 903778501 /nfs/dbraw/zinc/77/85/01/903778501.db2.gz XXOUGMNEHWKOIH-RRQZXNHTSA-N 2 2 422.548 4.048 20 0 HIADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000490168444 903806258 /nfs/dbraw/zinc/80/62/58/903806258.db2.gz VRIPSZYJSKZSFJ-OPAMFIHVSA-N 2 2 407.936 4.323 20 0 HIADLP CSc1cccc([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2cc(F)ccc2F)c1 ZINC000491036727 904388746 /nfs/dbraw/zinc/38/87/46/904388746.db2.gz ZFZHGITYTADRPI-KSFYIVLOSA-N 2 2 405.558 4.002 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000491222289 904487657 /nfs/dbraw/zinc/48/76/57/904487657.db2.gz GFIWZKJYZMNQEF-VWLOTQADSA-N 2 2 402.542 4.297 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000491222289 904487666 /nfs/dbraw/zinc/48/76/66/904487666.db2.gz GFIWZKJYZMNQEF-VWLOTQADSA-N 2 2 402.542 4.297 20 0 HIADLP FC(F)Oc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000493150739 905033550 /nfs/dbraw/zinc/03/35/50/905033550.db2.gz PRFJRLQLQXCFRS-MBSDFSHPSA-N 2 2 416.512 4.468 20 0 HIADLP Cc1cc(Br)cc2c1[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000493945358 905297447 /nfs/dbraw/zinc/29/74/47/905297447.db2.gz QHXBVOUAHDBSEE-NRFANRHFSA-N 2 2 415.375 4.367 20 0 HIADLP CN(C(=O)Nc1cccc(F)c1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000495033015 906189121 /nfs/dbraw/zinc/18/91/21/906189121.db2.gz XUKYKIQQMTYBPK-MOPGFXCFSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cccc(F)c1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495033015 906189131 /nfs/dbraw/zinc/18/91/31/906189131.db2.gz XUKYKIQQMTYBPK-MOPGFXCFSA-N 2 2 410.965 4.280 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495181486 906291561 /nfs/dbraw/zinc/29/15/61/906291561.db2.gz DNKGCLBCPKRLPH-OFVILXPXSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495181486 906291575 /nfs/dbraw/zinc/29/15/75/906291575.db2.gz DNKGCLBCPKRLPH-OFVILXPXSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495181486 906291587 /nfs/dbraw/zinc/29/15/87/906291587.db2.gz DNKGCLBCPKRLPH-OFVILXPXSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000495181486 906291606 /nfs/dbraw/zinc/29/16/06/906291606.db2.gz DNKGCLBCPKRLPH-OFVILXPXSA-N 2 2 416.569 4.133 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495416396 906437982 /nfs/dbraw/zinc/43/79/82/906437982.db2.gz ZMYQNNAQNZJLLK-QPPBQGQZSA-N 3 2 409.593 4.333 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495416396 906437990 /nfs/dbraw/zinc/43/79/90/906437990.db2.gz ZMYQNNAQNZJLLK-QPPBQGQZSA-N 3 2 409.593 4.333 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000495426032 906445295 /nfs/dbraw/zinc/44/52/95/906445295.db2.gz ISGAMZLYUBVLTO-WFXMLNOXSA-N 2 2 407.537 4.276 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000495426032 906445299 /nfs/dbraw/zinc/44/52/99/906445299.db2.gz ISGAMZLYUBVLTO-WFXMLNOXSA-N 2 2 407.537 4.276 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000495435350 906450612 /nfs/dbraw/zinc/45/06/12/906450612.db2.gz WDDCCMRTGMTLRG-ZRCGQRJVSA-N 2 2 403.574 4.445 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000495435350 906450623 /nfs/dbraw/zinc/45/06/23/906450623.db2.gz WDDCCMRTGMTLRG-ZRCGQRJVSA-N 2 2 403.574 4.445 20 0 HIADLP CCSc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000495757736 906543770 /nfs/dbraw/zinc/54/37/70/906543770.db2.gz OCUCTPNWVZVGGY-FGZHOGPDSA-N 2 2 403.636 4.208 20 0 HIADLP CCSc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000495757736 906543784 /nfs/dbraw/zinc/54/37/84/906543784.db2.gz OCUCTPNWVZVGGY-FGZHOGPDSA-N 2 2 403.636 4.208 20 0 HIADLP CN(C(=O)c1cc(F)c(Cl)cc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000495757684 906544001 /nfs/dbraw/zinc/54/40/01/906544001.db2.gz NCIBBTCGYSMADA-PMACEKPBSA-N 2 2 413.940 4.027 20 0 HIADLP CN(C(=O)c1cc(F)c(Cl)cc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495757684 906544027 /nfs/dbraw/zinc/54/40/27/906544027.db2.gz NCIBBTCGYSMADA-PMACEKPBSA-N 2 2 413.940 4.027 20 0 HIADLP O=C(NC1CC1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000497277308 906827141 /nfs/dbraw/zinc/82/71/41/906827141.db2.gz RLAVJLLPUIQUGV-DEOSSOPVSA-N 2 2 409.549 4.311 20 0 HIADLP CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)cc2)CC1 ZINC000512646170 921272926 /nfs/dbraw/zinc/27/29/26/921272926.db2.gz UVCBIOAUCVRGMA-UHFFFAOYSA-N 2 2 423.948 4.308 20 0 HIADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000512663553 921280176 /nfs/dbraw/zinc/28/01/76/921280176.db2.gz NEWUGUAGELRMAD-CALCHBBNSA-N 2 2 424.416 4.260 20 0 HIADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000512663553 921280179 /nfs/dbraw/zinc/28/01/79/921280179.db2.gz NEWUGUAGELRMAD-CALCHBBNSA-N 2 2 424.416 4.260 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472344 906954201 /nfs/dbraw/zinc/95/42/01/906954201.db2.gz VENNMHDDWVGDIC-XZOQPEGZSA-N 2 2 415.528 4.370 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472344 906954213 /nfs/dbraw/zinc/95/42/13/906954213.db2.gz VENNMHDDWVGDIC-XZOQPEGZSA-N 2 2 415.528 4.370 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472344 906954233 /nfs/dbraw/zinc/95/42/33/906954233.db2.gz VENNMHDDWVGDIC-XZOQPEGZSA-N 2 2 415.528 4.370 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472344 906954255 /nfs/dbraw/zinc/95/42/55/906954255.db2.gz VENNMHDDWVGDIC-XZOQPEGZSA-N 2 2 415.528 4.370 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)CCO1 ZINC000499144132 908501781 /nfs/dbraw/zinc/50/17/81/908501781.db2.gz VHMHWWXCJUXDFL-YFVWJHKLSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)CCO1 ZINC000499144132 908501794 /nfs/dbraw/zinc/50/17/94/908501794.db2.gz VHMHWWXCJUXDFL-YFVWJHKLSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)CCO1 ZINC000499144132 908501810 /nfs/dbraw/zinc/50/18/10/908501810.db2.gz VHMHWWXCJUXDFL-YFVWJHKLSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)CCO1 ZINC000499144132 908501818 /nfs/dbraw/zinc/50/18/18/908501818.db2.gz VHMHWWXCJUXDFL-YFVWJHKLSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@H]1CCC[C@H](OCCCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000499421115 908788708 /nfs/dbraw/zinc/78/87/08/908788708.db2.gz LNYGFPYPHYFQHB-GOTSBHOMSA-N 2 2 421.670 4.209 20 0 HIADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502319178 911290895 /nfs/dbraw/zinc/29/08/95/911290895.db2.gz JQYCRUWKBKZGAK-QGZVFWFLSA-N 2 2 423.513 4.140 20 0 HIADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502319178 911290925 /nfs/dbraw/zinc/29/09/25/911290925.db2.gz JQYCRUWKBKZGAK-QGZVFWFLSA-N 2 2 423.513 4.140 20 0 HIADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000503064129 912030787 /nfs/dbraw/zinc/03/07/87/912030787.db2.gz PSLPWMCEGVAOMB-RHSMWYFYSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000503064129 912030797 /nfs/dbraw/zinc/03/07/97/912030797.db2.gz PSLPWMCEGVAOMB-RHSMWYFYSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503075492 912045162 /nfs/dbraw/zinc/04/51/62/912045162.db2.gz VCZKVDPDQKSCTE-CYFREDJKSA-N 2 2 415.541 4.099 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503075492 912045179 /nfs/dbraw/zinc/04/51/79/912045179.db2.gz VCZKVDPDQKSCTE-CYFREDJKSA-N 2 2 415.541 4.099 20 0 HIADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503075605 912045329 /nfs/dbraw/zinc/04/53/29/912045329.db2.gz OEKLIUSCSKYCTE-YOSAUDMPSA-N 2 2 402.542 4.384 20 0 HIADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503075605 912045342 /nfs/dbraw/zinc/04/53/42/912045342.db2.gz OEKLIUSCSKYCTE-YOSAUDMPSA-N 2 2 402.542 4.384 20 0 HIADLP CCOc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc(Br)c1O ZINC000506333232 914943969 /nfs/dbraw/zinc/94/39/69/914943969.db2.gz WMQTZDUNWXDXPF-UHFFFAOYSA-N 2 2 419.363 4.091 20 0 HIADLP CCOc1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc(Br)c1O ZINC000506333232 914943982 /nfs/dbraw/zinc/94/39/82/914943982.db2.gz WMQTZDUNWXDXPF-UHFFFAOYSA-N 2 2 419.363 4.091 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506378166 915003837 /nfs/dbraw/zinc/00/38/37/915003837.db2.gz AKPJPHKRBOYSBI-UHFFFAOYSA-N 2 2 405.384 4.248 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506378166 915003848 /nfs/dbraw/zinc/00/38/48/915003848.db2.gz AKPJPHKRBOYSBI-UHFFFAOYSA-N 2 2 405.384 4.248 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CC3CCCC3)c3ccccc3)CC2)CC1 ZINC000506526595 915165628 /nfs/dbraw/zinc/16/56/28/915165628.db2.gz VMBVHMQTTCXILV-XMMPIXPASA-N 2 2 412.622 4.166 20 0 HIADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507086419 915860211 /nfs/dbraw/zinc/86/02/11/915860211.db2.gz HOYZWZCIUYUBHZ-JOCHJYFZSA-N 2 2 423.605 4.149 20 0 HIADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507086419 915860212 /nfs/dbraw/zinc/86/02/12/915860212.db2.gz HOYZWZCIUYUBHZ-JOCHJYFZSA-N 2 2 423.605 4.149 20 0 HIADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507596153 916351563 /nfs/dbraw/zinc/35/15/63/916351563.db2.gz BODNXNMQCLQSSO-UHFFFAOYSA-N 2 2 402.542 4.389 20 0 HIADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000507596153 916351581 /nfs/dbraw/zinc/35/15/81/916351581.db2.gz BODNXNMQCLQSSO-UHFFFAOYSA-N 2 2 402.542 4.389 20 0 HIADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CCOCC1)c1ccccc1 ZINC000507964845 916818370 /nfs/dbraw/zinc/81/83/70/916818370.db2.gz IJJCOAAHBJLSMS-JSRJAPPDSA-N 2 2 416.606 4.377 20 0 HIADLP C[C@@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000508499913 917283913 /nfs/dbraw/zinc/28/39/13/917283913.db2.gz ACNCMXSYFQRKOJ-NJYVYQBISA-N 2 2 416.569 4.476 20 0 HIADLP Brc1ccc(Cn2cc[nH+]c2NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000508517146 917303070 /nfs/dbraw/zinc/30/30/70/917303070.db2.gz ZWDPYEFYUXEULO-UHFFFAOYSA-N 2 2 408.303 4.492 20 0 HIADLP CCCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](CC)c1ccccc1 ZINC000508576539 917349021 /nfs/dbraw/zinc/34/90/21/917349021.db2.gz BTESIJDRIVILDX-HSZRJFAPSA-N 2 2 400.611 4.118 20 0 HIADLP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2ccncc2)no1 ZINC000508696357 917458572 /nfs/dbraw/zinc/45/85/72/917458572.db2.gz HRVQYTGCRFDTQP-QIJUGHKUSA-N 2 2 405.546 4.329 20 0 HIADLP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2ccncc2)no1 ZINC000508696357 917458578 /nfs/dbraw/zinc/45/85/78/917458578.db2.gz HRVQYTGCRFDTQP-QIJUGHKUSA-N 2 2 405.546 4.329 20 0 HIADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+](C)C ZINC000508909454 917666794 /nfs/dbraw/zinc/66/67/94/917666794.db2.gz WAQKDTFBPZNNAN-OFNKIYASSA-N 2 2 411.594 4.085 20 0 HIADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508945797 917703457 /nfs/dbraw/zinc/70/34/57/917703457.db2.gz FCKPEXLHKGXSMT-NRFANRHFSA-N 2 2 414.431 4.265 20 0 HIADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508945797 917703466 /nfs/dbraw/zinc/70/34/66/917703466.db2.gz FCKPEXLHKGXSMT-NRFANRHFSA-N 2 2 414.431 4.265 20 0 HIADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(OC)c1OCc1ccccc1 ZINC000510540879 918985415 /nfs/dbraw/zinc/98/54/15/918985415.db2.gz XCFFLIHCDUHPSQ-FQEVSTJZSA-N 2 2 407.514 4.386 20 0 HIADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc(OC)c1OCc1ccccc1 ZINC000510540879 918985421 /nfs/dbraw/zinc/98/54/21/918985421.db2.gz XCFFLIHCDUHPSQ-FQEVSTJZSA-N 2 2 407.514 4.386 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCc4ccc(Br)cc43)[nH+]c2)CC1 ZINC000510716903 919159066 /nfs/dbraw/zinc/15/90/66/919159066.db2.gz QNXNGJHHGZENQR-FQEVSTJZSA-N 2 2 415.379 4.474 20 0 HIADLP CCCC[N@H+](C)CC1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000511300106 919894638 /nfs/dbraw/zinc/89/46/38/919894638.db2.gz HBCXUHMPMQJFGL-UHFFFAOYSA-N 2 2 407.628 4.105 20 0 HIADLP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000511300106 919894639 /nfs/dbraw/zinc/89/46/39/919894639.db2.gz HBCXUHMPMQJFGL-UHFFFAOYSA-N 2 2 407.628 4.105 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(Sc4ccccn4)o3)[nH+]c2)CC1 ZINC000511648349 920314763 /nfs/dbraw/zinc/31/47/63/920314763.db2.gz MIRIJXFCKPLCSR-UHFFFAOYSA-N 2 2 409.559 4.363 20 0 HIADLP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847267 920568431 /nfs/dbraw/zinc/56/84/31/920568431.db2.gz PYUYXLHABJHWDZ-RTWAWAEBSA-N 2 2 419.491 4.089 20 0 HIADLP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847267 920568447 /nfs/dbraw/zinc/56/84/47/920568447.db2.gz PYUYXLHABJHWDZ-RTWAWAEBSA-N 2 2 419.491 4.089 20 0 HIADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847267 920568467 /nfs/dbraw/zinc/56/84/67/920568467.db2.gz PYUYXLHABJHWDZ-RTWAWAEBSA-N 2 2 419.491 4.089 20 0 HIADLP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847267 920568484 /nfs/dbraw/zinc/56/84/84/920568484.db2.gz PYUYXLHABJHWDZ-RTWAWAEBSA-N 2 2 419.491 4.089 20 0 HIADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000512023836 920800282 /nfs/dbraw/zinc/80/02/82/920800282.db2.gz LDCYNNKVSHRDQL-PSTGCABASA-N 2 2 403.876 4.148 20 0 HIADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000512023836 920800291 /nfs/dbraw/zinc/80/02/91/920800291.db2.gz LDCYNNKVSHRDQL-PSTGCABASA-N 2 2 403.876 4.148 20 0 HIADLP Cc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(Br)c1 ZINC000513487821 921841168 /nfs/dbraw/zinc/84/11/68/921841168.db2.gz KNYQPTVQORQXCV-UHFFFAOYSA-N 2 2 403.368 4.295 20 0 HIADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000514234025 922572905 /nfs/dbraw/zinc/57/29/05/922572905.db2.gz IRBSMFLSFUVVLG-PMACEKPBSA-N 2 2 408.464 4.433 20 0 HIADLP COc1cc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccc1C ZINC000514785340 922801321 /nfs/dbraw/zinc/80/13/21/922801321.db2.gz FZKGURWLHVLHIE-UHFFFAOYSA-N 2 2 404.308 4.258 20 0 HIADLP COc1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccc1C ZINC000514785340 922801324 /nfs/dbraw/zinc/80/13/24/922801324.db2.gz FZKGURWLHVLHIE-UHFFFAOYSA-N 2 2 404.308 4.258 20 0 HIADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000515189941 922980118 /nfs/dbraw/zinc/98/01/18/922980118.db2.gz VZSXTQHLHWUTKD-HYBUGGRVSA-N 2 2 423.601 4.105 20 0 HIADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000515189941 922980139 /nfs/dbraw/zinc/98/01/39/922980139.db2.gz VZSXTQHLHWUTKD-HYBUGGRVSA-N 2 2 423.601 4.105 20 0 HIADLP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000515239103 923010129 /nfs/dbraw/zinc/01/01/29/923010129.db2.gz FUMDSUQIYAJEMA-QFIPXVFZSA-N 2 2 408.933 4.152 20 0 HIADLP Cc1ccc2c(C)cc(NCc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)[nH+]c2c1 ZINC000515554811 923173554 /nfs/dbraw/zinc/17/35/54/923173554.db2.gz DCUJZEWQIZSCDR-UHFFFAOYSA-N 2 2 418.541 4.125 20 0 HIADLP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cccc(Cl)c1 ZINC000517635794 926744073 /nfs/dbraw/zinc/74/40/73/926744073.db2.gz FMFLQRMHRHECOA-NRFANRHFSA-N 2 2 421.919 4.002 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(-c4ccccc4Cl)o3)cc2)CC1 ZINC000518267691 927126184 /nfs/dbraw/zinc/12/61/84/927126184.db2.gz QPQKDLUYYPAGOB-UHFFFAOYSA-N 2 2 423.944 4.277 20 0 HIADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c[nH+]cn2c1 ZINC000518801633 927500015 /nfs/dbraw/zinc/50/00/15/927500015.db2.gz WHBMYAJSRCKOSZ-UHFFFAOYSA-N 2 2 407.477 4.176 20 0 HIADLP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000519861205 928101961 /nfs/dbraw/zinc/10/19/61/928101961.db2.gz WAXJGTRHPLSUOZ-SFHVURJKSA-N 2 2 417.488 4.482 20 0 HIADLP c1ccc(Oc2cccc(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)c2)cc1 ZINC000520965596 928893150 /nfs/dbraw/zinc/89/31/50/928893150.db2.gz LAVYSOTWIOZGAP-UHFFFAOYSA-N 2 2 418.537 4.480 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000521008066 928924513 /nfs/dbraw/zinc/92/45/13/928924513.db2.gz POCVSUISDXWZKL-SFTDATJTSA-N 2 2 421.585 4.147 20 0 HIADLP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000521431634 929219710 /nfs/dbraw/zinc/21/97/10/929219710.db2.gz DVNBSXOECCUEEN-INIZCTEOSA-N 2 2 410.400 4.138 20 0 HIADLP O[C@]1(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000524637772 929747422 /nfs/dbraw/zinc/74/74/22/929747422.db2.gz TUGWWJYDASAIIG-DEOSSOPVSA-N 2 2 419.550 4.283 20 0 HIADLP O[C@]1(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000524637772 929747440 /nfs/dbraw/zinc/74/74/40/929747440.db2.gz TUGWWJYDASAIIG-DEOSSOPVSA-N 2 2 419.550 4.283 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1cccs1 ZINC000525103663 930037689 /nfs/dbraw/zinc/03/76/89/930037689.db2.gz BPWHAPSASILKAP-JOCHJYFZSA-N 2 2 407.583 4.169 20 0 HIADLP CC(C)CCc1ccccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000525747172 930425719 /nfs/dbraw/zinc/42/57/19/930425719.db2.gz GBCWTWVABSWPQN-UHFFFAOYSA-N 2 2 400.611 4.347 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(-c2cccs2)n1 ZINC000530952631 930866879 /nfs/dbraw/zinc/86/68/79/930866879.db2.gz PXIUOMDMBHEQIZ-UHFFFAOYSA-N 3 2 418.676 4.500 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(-c2cccs2)n1 ZINC000530952631 930866882 /nfs/dbraw/zinc/86/68/82/930866882.db2.gz PXIUOMDMBHEQIZ-UHFFFAOYSA-N 3 2 418.676 4.500 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(Br)c(Br)c1)CCC2 ZINC000531556402 931102631 /nfs/dbraw/zinc/10/26/31/931102631.db2.gz YWVYHWWYADTAKW-ZDUSSCGKSA-N 2 2 413.157 4.384 20 0 HIADLP CSCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1nnc2ccccn21 ZINC000531690405 931154984 /nfs/dbraw/zinc/15/49/84/931154984.db2.gz KLLPYVIAEBFMJD-JXFKEZNVSA-N 2 2 406.559 4.368 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000531710731 931169735 /nfs/dbraw/zinc/16/97/35/931169735.db2.gz VNIOGUXPMOJEOW-RXVVDRJESA-N 2 2 403.517 4.236 20 0 HIADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000531711701 931170114 /nfs/dbraw/zinc/17/01/14/931170114.db2.gz QBPZEUJWPDDMKA-OAHLLOKOSA-N 2 2 402.420 4.398 20 0 HIADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000531758888 931185021 /nfs/dbraw/zinc/18/50/21/931185021.db2.gz VXSHLBRCVPDXPM-VQTJNVASSA-N 2 2 419.363 4.177 20 0 HIADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000532015973 931285260 /nfs/dbraw/zinc/28/52/60/931285260.db2.gz KJGNSGMJKIQFRD-VQTJNVASSA-N 2 2 408.464 4.433 20 0 HIADLP CC[N@H+](Cc1nccn1CC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532732381 931616082 /nfs/dbraw/zinc/61/60/82/931616082.db2.gz GEVGXIJKUBSBNV-UHFFFAOYSA-N 2 2 424.515 4.158 20 0 HIADLP CC[N@@H+](Cc1nccn1CC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532732381 931616086 /nfs/dbraw/zinc/61/60/86/931616086.db2.gz GEVGXIJKUBSBNV-UHFFFAOYSA-N 2 2 424.515 4.158 20 0 HIADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000532747214 931621136 /nfs/dbraw/zinc/62/11/36/931621136.db2.gz LZQZYKJCBIYEOR-DHJUGAMNSA-N 2 2 402.485 4.441 20 0 HIADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000532747214 931621149 /nfs/dbraw/zinc/62/11/49/931621149.db2.gz LZQZYKJCBIYEOR-DHJUGAMNSA-N 2 2 402.485 4.441 20 0 HIADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000532986599 931726904 /nfs/dbraw/zinc/72/69/04/931726904.db2.gz HAGNRHQHGJDMKD-FQEVSTJZSA-N 2 2 405.011 4.064 20 0 HIADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000532986599 931726910 /nfs/dbraw/zinc/72/69/10/931726910.db2.gz HAGNRHQHGJDMKD-FQEVSTJZSA-N 2 2 405.011 4.064 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000532989360 931728988 /nfs/dbraw/zinc/72/89/88/931728988.db2.gz TUMPNYJIJASYCR-UKRRQHHQSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000532989360 931728994 /nfs/dbraw/zinc/72/89/94/931728994.db2.gz TUMPNYJIJASYCR-UKRRQHHQSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532989360 931728999 /nfs/dbraw/zinc/72/89/99/931728999.db2.gz TUMPNYJIJASYCR-UKRRQHHQSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532989360 931729001 /nfs/dbraw/zinc/72/90/01/931729001.db2.gz TUMPNYJIJASYCR-UKRRQHHQSA-N 2 2 423.351 4.287 20 0 HIADLP Cc1nn(-c2ccccc2)c(C)c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000533187190 931804808 /nfs/dbraw/zinc/80/48/08/931804808.db2.gz FCFHPXMFGNDRAR-UHFFFAOYSA-N 2 2 404.562 4.027 20 0 HIADLP CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395374 931856615 /nfs/dbraw/zinc/85/66/15/931856615.db2.gz UECGGOFUILLLHB-HXUWFJFHSA-N 2 2 423.605 4.077 20 0 HIADLP CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395374 931856617 /nfs/dbraw/zinc/85/66/17/931856617.db2.gz UECGGOFUILLLHB-HXUWFJFHSA-N 2 2 423.605 4.077 20 0 HIADLP CC(C)COc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647453 931943745 /nfs/dbraw/zinc/94/37/45/931943745.db2.gz ACCHMMFQHFDSOI-ZEQRLZLVSA-N 2 2 415.622 4.131 20 0 HIADLP CC(C)COc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647453 931943750 /nfs/dbraw/zinc/94/37/50/931943750.db2.gz ACCHMMFQHFDSOI-ZEQRLZLVSA-N 2 2 415.622 4.131 20 0 HIADLP CN(C(=O)c1[nH]c2ccccc2c1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648429 931944282 /nfs/dbraw/zinc/94/42/82/931944282.db2.gz NVVRJIOTVKZZDD-UXHICEINSA-N 2 2 416.997 4.231 20 0 HIADLP CN(C(=O)c1[nH]c2ccccc2c1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648429 931944290 /nfs/dbraw/zinc/94/42/90/931944290.db2.gz NVVRJIOTVKZZDD-UXHICEINSA-N 2 2 416.997 4.231 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)n1C(C)C ZINC000533649265 931945239 /nfs/dbraw/zinc/94/52/39/931945239.db2.gz PPKJTTARFCJKSI-XZOQPEGZSA-N 2 2 402.627 4.095 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1C(C)C ZINC000533649265 931945247 /nfs/dbraw/zinc/94/52/47/931945247.db2.gz PPKJTTARFCJKSI-XZOQPEGZSA-N 2 2 402.627 4.095 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000533649701 931945899 /nfs/dbraw/zinc/94/58/99/931945899.db2.gz RPLJKCPUMBHISJ-MTNREXPMSA-N 2 2 406.014 4.239 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000533649701 931945905 /nfs/dbraw/zinc/94/59/05/931945905.db2.gz RPLJKCPUMBHISJ-MTNREXPMSA-N 2 2 406.014 4.239 20 0 HIADLP CC(C)c1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533672913 931962648 /nfs/dbraw/zinc/96/26/48/931962648.db2.gz YZXODIYJPCAUGP-ZEQRLZLVSA-N 2 2 414.638 4.289 20 0 HIADLP CC(C)c1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533672913 931962653 /nfs/dbraw/zinc/96/26/53/931962653.db2.gz YZXODIYJPCAUGP-ZEQRLZLVSA-N 2 2 414.638 4.289 20 0 HIADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000534348609 932388988 /nfs/dbraw/zinc/38/89/88/932388988.db2.gz XUAZRXBGGUSHQO-LAUBAEHRSA-N 2 2 424.932 4.251 20 0 HIADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000534348609 932388998 /nfs/dbraw/zinc/38/89/98/932388998.db2.gz XUAZRXBGGUSHQO-LAUBAEHRSA-N 2 2 424.932 4.251 20 0 HIADLP CN(C(=O)c1cncc(-c2ccccc2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357660 932392341 /nfs/dbraw/zinc/39/23/41/932392341.db2.gz DBKXCIMTIPWUHX-JWQCQUIFSA-N 2 2 420.601 4.158 20 0 HIADLP CN(C(=O)c1cncc(-c2ccccc2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357660 932392345 /nfs/dbraw/zinc/39/23/45/932392345.db2.gz DBKXCIMTIPWUHX-JWQCQUIFSA-N 2 2 420.601 4.158 20 0 HIADLP CN(C(=O)NCC(C)(C)c1cccs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375427 932403761 /nfs/dbraw/zinc/40/37/61/932403761.db2.gz YWLGSFHYWROUES-PMACEKPBSA-N 2 2 420.667 4.004 20 0 HIADLP CN(C(=O)NCC(C)(C)c1cccs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375427 932403763 /nfs/dbraw/zinc/40/37/63/932403763.db2.gz YWLGSFHYWROUES-PMACEKPBSA-N 2 2 420.667 4.004 20 0 HIADLP C[N@H+](CCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)Cc1ccccc1 ZINC000534599902 932585635 /nfs/dbraw/zinc/58/56/35/932585635.db2.gz YAIOGHVAMOWZIK-UHFFFAOYSA-N 2 2 415.541 4.245 20 0 HIADLP C[N@@H+](CCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)Cc1ccccc1 ZINC000534599902 932585640 /nfs/dbraw/zinc/58/56/40/932585640.db2.gz YAIOGHVAMOWZIK-UHFFFAOYSA-N 2 2 415.541 4.245 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534860246 932810636 /nfs/dbraw/zinc/81/06/36/932810636.db2.gz LLMLMENYJHSELI-HXUWFJFHSA-N 2 2 414.553 4.252 20 0 HIADLP CSc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534932359 932844394 /nfs/dbraw/zinc/84/43/94/932844394.db2.gz NUJKKCRJXYEXGM-PMACEKPBSA-N 2 2 404.624 4.209 20 0 HIADLP CSc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534932359 932844399 /nfs/dbraw/zinc/84/43/99/932844399.db2.gz NUJKKCRJXYEXGM-PMACEKPBSA-N 2 2 404.624 4.209 20 0 HIADLP CCn1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000535094214 932907471 /nfs/dbraw/zinc/90/74/71/932907471.db2.gz JGGUUOJENQHLAM-BJKOFHAPSA-N 2 2 410.606 4.070 20 0 HIADLP CCn1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000535094214 932907478 /nfs/dbraw/zinc/90/74/78/932907478.db2.gz JGGUUOJENQHLAM-BJKOFHAPSA-N 2 2 410.606 4.070 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)cc1F ZINC000535095021 932908451 /nfs/dbraw/zinc/90/84/51/932908451.db2.gz JNTYDKASZWALQW-SFTDATJTSA-N 2 2 409.977 4.197 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)cc1F ZINC000535095021 932908459 /nfs/dbraw/zinc/90/84/59/932908459.db2.gz JNTYDKASZWALQW-SFTDATJTSA-N 2 2 409.977 4.197 20 0 HIADLP CN(C(=O)CCc1cc2ccccc2o1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096113 932910714 /nfs/dbraw/zinc/91/07/14/932910714.db2.gz PEULYKHARDWXHR-DHIUTWEWSA-N 2 2 411.590 4.161 20 0 HIADLP CN(C(=O)CCc1cc2ccccc2o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096113 932910723 /nfs/dbraw/zinc/91/07/23/932910723.db2.gz PEULYKHARDWXHR-DHIUTWEWSA-N 2 2 411.590 4.161 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000535287850 933050875 /nfs/dbraw/zinc/05/08/75/933050875.db2.gz IGPHJYSLWHLVLL-JOCHJYFZSA-N 2 2 412.537 4.453 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000535287850 933050879 /nfs/dbraw/zinc/05/08/79/933050879.db2.gz IGPHJYSLWHLVLL-JOCHJYFZSA-N 2 2 412.537 4.453 20 0 HIADLP CN(C(=O)c1cccc(-c2ccoc2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535634983 933276951 /nfs/dbraw/zinc/27/69/51/933276951.db2.gz FUJPLNXPDMORPG-RPWUZVMVSA-N 2 2 409.574 4.356 20 0 HIADLP CN(C(=O)c1cccc(-c2ccoc2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535634983 933276960 /nfs/dbraw/zinc/27/69/60/933276960.db2.gz FUJPLNXPDMORPG-RPWUZVMVSA-N 2 2 409.574 4.356 20 0 HIADLP O=c1[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc2ccc(Cl)cc12 ZINC000535677211 933328499 /nfs/dbraw/zinc/32/84/99/933328499.db2.gz VUWOWNFATVEVDK-UHFFFAOYSA-N 2 2 422.960 4.477 20 0 HIADLP O=c1[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc2ccc(Cl)cc12 ZINC000535677211 933328513 /nfs/dbraw/zinc/32/85/13/933328513.db2.gz VUWOWNFATVEVDK-UHFFFAOYSA-N 2 2 422.960 4.477 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000535810265 933406130 /nfs/dbraw/zinc/40/61/30/933406130.db2.gz AIQWTJYNNACJLX-LAUBAEHRSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000535810265 933406133 /nfs/dbraw/zinc/40/61/33/933406133.db2.gz AIQWTJYNNACJLX-LAUBAEHRSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535810265 933406136 /nfs/dbraw/zinc/40/61/36/933406136.db2.gz AIQWTJYNNACJLX-LAUBAEHRSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535810265 933406138 /nfs/dbraw/zinc/40/61/38/933406138.db2.gz AIQWTJYNNACJLX-LAUBAEHRSA-N 2 2 417.395 4.168 20 0 HIADLP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000535816336 933410916 /nfs/dbraw/zinc/41/09/16/933410916.db2.gz HSJQWIILQZBRRR-HSZRJFAPSA-N 2 2 409.599 4.054 20 0 HIADLP C[C@H](CCc1ccccc1F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849255 933430887 /nfs/dbraw/zinc/43/08/87/933430887.db2.gz VNUYJFPSKLMDAB-CTUHWIOQSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CCc1ccccc1F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849255 933430897 /nfs/dbraw/zinc/43/08/97/933430897.db2.gz VNUYJFPSKLMDAB-CTUHWIOQSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC000535851531 933433503 /nfs/dbraw/zinc/43/35/03/933433503.db2.gz FEBDJGDGSUCPCM-WUMKDDEVSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC000535851531 933433512 /nfs/dbraw/zinc/43/35/12/933433512.db2.gz FEBDJGDGSUCPCM-WUMKDDEVSA-N 2 2 417.613 4.190 20 0 HIADLP CN(C(=O)c1cc(F)c(F)cc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850980 933434344 /nfs/dbraw/zinc/43/43/44/933434344.db2.gz YVPBZRUUTDNYMS-UXHICEINSA-N 2 2 413.940 4.027 20 0 HIADLP CN(C(=O)c1cc(F)c(F)cc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850980 933434348 /nfs/dbraw/zinc/43/43/48/933434348.db2.gz YVPBZRUUTDNYMS-UXHICEINSA-N 2 2 413.940 4.027 20 0 HIADLP COc1ccc([C@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1C[NH+]1CCCCC1 ZINC000537393691 933755246 /nfs/dbraw/zinc/75/52/46/933755246.db2.gz FYWVBEHWRMXZQD-IBGZPJMESA-N 2 2 410.562 4.086 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000537617204 938334549 /nfs/dbraw/zinc/33/45/49/938334549.db2.gz VSDWOEOUATYZDZ-LIRRHRJNSA-N 2 2 405.384 4.166 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000537617204 938334552 /nfs/dbraw/zinc/33/45/52/938334552.db2.gz VSDWOEOUATYZDZ-LIRRHRJNSA-N 2 2 405.384 4.166 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000537617204 938334557 /nfs/dbraw/zinc/33/45/57/938334557.db2.gz VSDWOEOUATYZDZ-LIRRHRJNSA-N 2 2 405.384 4.166 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000537617204 938334560 /nfs/dbraw/zinc/33/45/60/938334560.db2.gz VSDWOEOUATYZDZ-LIRRHRJNSA-N 2 2 405.384 4.166 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000537621306 938336915 /nfs/dbraw/zinc/33/69/15/938336915.db2.gz HNYJDBKJDKOPHW-XLIONFOSSA-N 2 2 410.587 4.014 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000537621306 938336916 /nfs/dbraw/zinc/33/69/16/938336916.db2.gz HNYJDBKJDKOPHW-XLIONFOSSA-N 2 2 410.587 4.014 20 0 HIADLP C[NH+](C)CCOC1CC[NH+](Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000537629655 938340810 /nfs/dbraw/zinc/34/08/10/938340810.db2.gz SMJPRBFBQXMKJW-UHFFFAOYSA-N 2 2 409.290 4.011 20 0 HIADLP CN1CC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537945760 938427743 /nfs/dbraw/zinc/42/77/43/938427743.db2.gz YBOSHVNPAUSDBM-VGSWGCGISA-N 2 2 402.945 4.126 20 0 HIADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000538346462 938599536 /nfs/dbraw/zinc/59/95/36/938599536.db2.gz SAEYKKFPPARGAB-QGZVFWFLSA-N 2 2 405.477 4.487 20 0 HIADLP CC(C)c1csc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538355528 938602271 /nfs/dbraw/zinc/60/22/71/938602271.db2.gz LVENPLBLAIYGMZ-RTBURBONSA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)c1csc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538355528 938602273 /nfs/dbraw/zinc/60/22/73/938602273.db2.gz LVENPLBLAIYGMZ-RTBURBONSA-N 2 2 407.628 4.067 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000539046355 938781748 /nfs/dbraw/zinc/78/17/48/938781748.db2.gz KIDKZGGYXOSYOH-CJFMBICVSA-N 2 2 414.553 4.334 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000539046355 938781752 /nfs/dbraw/zinc/78/17/52/938781752.db2.gz KIDKZGGYXOSYOH-CJFMBICVSA-N 2 2 414.553 4.334 20 0 HIADLP C[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](CCc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539046635 938781984 /nfs/dbraw/zinc/78/19/84/938781984.db2.gz KLDDKKLSAFBDFD-LGVFNWMJSA-N 2 2 415.984 4.379 20 0 HIADLP C[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](CCc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539046635 938781987 /nfs/dbraw/zinc/78/19/87/938781987.db2.gz KLDDKKLSAFBDFD-LGVFNWMJSA-N 2 2 415.984 4.379 20 0 HIADLP C[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539046635 938781991 /nfs/dbraw/zinc/78/19/91/938781991.db2.gz KLDDKKLSAFBDFD-LGVFNWMJSA-N 2 2 415.984 4.379 20 0 HIADLP C[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539046635 938781996 /nfs/dbraw/zinc/78/19/96/938781996.db2.gz KLDDKKLSAFBDFD-LGVFNWMJSA-N 2 2 415.984 4.379 20 0 HIADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000539261356 938829282 /nfs/dbraw/zinc/82/92/82/938829282.db2.gz OOULZKAQOGYHKH-XMMPIXPASA-N 2 2 409.574 4.143 20 0 HIADLP COc1c(C)ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000539443393 938861431 /nfs/dbraw/zinc/86/14/31/938861431.db2.gz SVSYBLRCQDWMQW-VXKWHMMOSA-N 2 2 416.610 4.113 20 0 HIADLP COc1c(C)ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000539443393 938861433 /nfs/dbraw/zinc/86/14/33/938861433.db2.gz SVSYBLRCQDWMQW-VXKWHMMOSA-N 2 2 416.610 4.113 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000539819600 938943670 /nfs/dbraw/zinc/94/36/70/938943670.db2.gz MGJWFWKAMULEGA-HXUWFJFHSA-N 2 2 417.395 4.394 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000539819600 938943671 /nfs/dbraw/zinc/94/36/71/938943671.db2.gz MGJWFWKAMULEGA-HXUWFJFHSA-N 2 2 417.395 4.394 20 0 HIADLP CCCC(=O)Nc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000539949205 938980573 /nfs/dbraw/zinc/98/05/73/938980573.db2.gz AONURNHNKWOUSD-UHFFFAOYSA-N 2 2 414.981 4.120 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540316801 939191707 /nfs/dbraw/zinc/19/17/07/939191707.db2.gz RPBJIJRVRVKGID-SFTDATJTSA-N 2 2 403.929 4.106 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540316801 939191712 /nfs/dbraw/zinc/19/17/12/939191712.db2.gz RPBJIJRVRVKGID-SFTDATJTSA-N 2 2 403.929 4.106 20 0 HIADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000540318601 939192949 /nfs/dbraw/zinc/19/29/49/939192949.db2.gz OYPUKQLTCXGNQC-UHFFFAOYSA-N 2 2 424.357 4.274 20 0 HIADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000540318601 939192951 /nfs/dbraw/zinc/19/29/51/939192951.db2.gz OYPUKQLTCXGNQC-UHFFFAOYSA-N 2 2 424.357 4.274 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000540410508 939238937 /nfs/dbraw/zinc/23/89/37/939238937.db2.gz ONBVAIUFTGSSMW-IAGOWNOFSA-N 2 2 423.536 4.028 20 0 HIADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000540535447 939294174 /nfs/dbraw/zinc/29/41/74/939294174.db2.gz VIMMTPMJEQCPPP-UHFFFAOYSA-N 2 2 414.509 4.086 20 0 HIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000540535447 939294180 /nfs/dbraw/zinc/29/41/80/939294180.db2.gz VIMMTPMJEQCPPP-UHFFFAOYSA-N 2 2 414.509 4.086 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cc4cccc(OC)c4o3)cc2)CC1 ZINC000540598424 939315610 /nfs/dbraw/zinc/31/56/10/939315610.db2.gz JGMZFYAIOQYECO-LJQANCHMSA-N 2 2 407.558 4.430 20 0 HIADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1Br ZINC000540757148 939361518 /nfs/dbraw/zinc/36/15/18/939361518.db2.gz ZMJBABBGSNIVGE-WMLDXEAASA-N 2 2 419.367 4.166 20 0 HIADLP C[NH+](C)CC(=O)Nc1ccc(NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000540974355 939423158 /nfs/dbraw/zinc/42/31/58/939423158.db2.gz KTTXNLGRJBSMLV-UHFFFAOYSA-N 2 2 418.944 4.056 20 0 HIADLP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000540987885 939425782 /nfs/dbraw/zinc/42/57/82/939425782.db2.gz BKSLNRPJVNCJFL-SFHVURJKSA-N 2 2 414.981 4.161 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203992 939485534 /nfs/dbraw/zinc/48/55/34/939485534.db2.gz AEYJORVRTJJLDQ-INIZCTEOSA-N 2 2 408.468 4.421 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1C ZINC000541244907 939487337 /nfs/dbraw/zinc/48/73/37/939487337.db2.gz CPENPTOJRKYQMZ-RTWAWAEBSA-N 2 2 406.014 4.366 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1C ZINC000541244907 939487338 /nfs/dbraw/zinc/48/73/38/939487338.db2.gz CPENPTOJRKYQMZ-RTWAWAEBSA-N 2 2 406.014 4.366 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1cccc(F)c1 ZINC000541406516 939507398 /nfs/dbraw/zinc/50/73/98/939507398.db2.gz CKUGVKRWYPJPMD-SIKLNZKXSA-N 2 2 412.553 4.051 20 0 HIADLP CN(C(=O)Nc1ccc(-c2ccc[nH]2)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541449934 939519401 /nfs/dbraw/zinc/51/94/01/939519401.db2.gz PFOGUCZJDRMAPG-RPWUZVMVSA-N 2 2 423.605 4.483 20 0 HIADLP CN(C(=O)Nc1ccc(-c2ccc[nH]2)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541449934 939519402 /nfs/dbraw/zinc/51/94/02/939519402.db2.gz PFOGUCZJDRMAPG-RPWUZVMVSA-N 2 2 423.605 4.483 20 0 HIADLP C[C@@H]([NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000563698741 945256874 /nfs/dbraw/zinc/25/68/74/945256874.db2.gz SNGGTBQCZFJAFT-UZUQRXQVSA-N 2 2 407.558 4.141 20 0 HIADLP C[C@@H]([NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000563698741 945256895 /nfs/dbraw/zinc/25/68/95/945256895.db2.gz SNGGTBQCZFJAFT-UZUQRXQVSA-N 2 2 407.558 4.141 20 0 HIADLP CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1 ZINC000541643259 939583672 /nfs/dbraw/zinc/58/36/72/939583672.db2.gz XOAIZYVJPROWLD-UHFFFAOYSA-N 2 2 417.557 4.169 20 0 HIADLP Cn1ccc([C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2ccc(Cl)cc2)n1 ZINC000541743985 939618984 /nfs/dbraw/zinc/61/89/84/939618984.db2.gz WOEUWNGGFVQESX-QHCPKHFHSA-N 2 2 412.965 4.283 20 0 HIADLP CC[N@H+](CCC1CC[NH+](Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1)CC1CC1 ZINC000541986508 939671031 /nfs/dbraw/zinc/67/10/31/939671031.db2.gz KWIMVLLWWGNGMU-UHFFFAOYSA-N 2 2 406.636 4.203 20 0 HIADLP CC[N@@H+](CCC1CC[NH+](Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1)CC1CC1 ZINC000541986508 939671040 /nfs/dbraw/zinc/67/10/40/939671040.db2.gz KWIMVLLWWGNGMU-UHFFFAOYSA-N 2 2 406.636 4.203 20 0 HIADLP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542105965 939715278 /nfs/dbraw/zinc/71/52/78/939715278.db2.gz YQHVCCOUUSKROB-UHFFFAOYSA-N 2 2 423.605 4.271 20 0 HIADLP C[C@@H]1C[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000542113682 939718891 /nfs/dbraw/zinc/71/88/91/939718891.db2.gz XNTHCCRDDKRNQG-ZJSXRUAMSA-N 2 2 423.605 4.138 20 0 HIADLP C[C@@H]1C[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000542113682 939718903 /nfs/dbraw/zinc/71/89/03/939718903.db2.gz XNTHCCRDDKRNQG-ZJSXRUAMSA-N 2 2 423.605 4.138 20 0 HIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000542303611 939791743 /nfs/dbraw/zinc/79/17/43/939791743.db2.gz NIGAPFRAPLBGRO-MRXNPFEDSA-N 2 2 403.511 4.432 20 0 HIADLP O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000542314425 939797369 /nfs/dbraw/zinc/79/73/69/939797369.db2.gz GMVHXUFBAYRWQD-UHFFFAOYSA-N 2 2 409.559 4.360 20 0 HIADLP Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)c2)cc1 ZINC000542317247 939799045 /nfs/dbraw/zinc/79/90/45/939799045.db2.gz TZAJWDWYKUSWRV-UHFFFAOYSA-N 2 2 416.550 4.462 20 0 HIADLP CCc1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000542320631 939800012 /nfs/dbraw/zinc/80/00/12/939800012.db2.gz SMTQDXDLEFPXDU-UHFFFAOYSA-N 2 2 406.599 4.318 20 0 HIADLP C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000542328829 939801457 /nfs/dbraw/zinc/80/14/57/939801457.db2.gz MOIAOJZNFFCTEB-DENIHFKCSA-N 2 2 420.601 4.056 20 0 HIADLP C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000542328829 939801459 /nfs/dbraw/zinc/80/14/59/939801459.db2.gz MOIAOJZNFFCTEB-DENIHFKCSA-N 2 2 420.601 4.056 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cnccn3)cc2)C[C@@H](C)O1 ZINC000542481842 939830846 /nfs/dbraw/zinc/83/08/46/939830846.db2.gz HMZJFLMBMYDBAX-MPCDZSKCSA-N 2 2 420.532 4.104 20 0 HIADLP C[C@H]([NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529073 939837639 /nfs/dbraw/zinc/83/76/39/939837639.db2.gz LUKYSPUMCNIUBJ-ZWSUVBHBSA-N 2 2 405.586 4.287 20 0 HIADLP C[C@H]([NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529073 939837641 /nfs/dbraw/zinc/83/76/41/939837641.db2.gz LUKYSPUMCNIUBJ-ZWSUVBHBSA-N 2 2 405.586 4.287 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000542664429 939852568 /nfs/dbraw/zinc/85/25/68/939852568.db2.gz KQIQDZMZIZLKOU-FYYLOGMGSA-N 2 2 409.555 4.055 20 0 HIADLP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061655 939915388 /nfs/dbraw/zinc/91/53/88/939915388.db2.gz LHBCJBQMPDCIFB-QGZVFWFLSA-N 2 2 418.969 4.373 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)o1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543130764 939962498 /nfs/dbraw/zinc/96/24/98/939962498.db2.gz YNDIHMVZNMODQG-VXKWHMMOSA-N 2 2 409.574 4.356 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543130764 939962502 /nfs/dbraw/zinc/96/25/02/939962502.db2.gz YNDIHMVZNMODQG-VXKWHMMOSA-N 2 2 409.574 4.356 20 0 HIADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1F ZINC000543236955 940004063 /nfs/dbraw/zinc/00/40/63/940004063.db2.gz IOLURALJXSXWDP-UHFFFAOYSA-N 2 2 408.308 4.065 20 0 HIADLP COc1ccc([C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c2ccccc2OC)cc1 ZINC000543241970 940005855 /nfs/dbraw/zinc/00/58/55/940005855.db2.gz SSYMHQXGDTVALH-VWLOTQADSA-N 2 2 414.509 4.472 20 0 HIADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC1 ZINC000543423798 940060321 /nfs/dbraw/zinc/06/03/21/940060321.db2.gz ABZRUXGZMYIFQV-JIMJEQGWSA-N 2 2 419.544 4.431 20 0 HIADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(Br)c1OC ZINC000543459915 940069941 /nfs/dbraw/zinc/06/99/41/940069941.db2.gz GSSXXCKKQPYJMB-HOCLYGCPSA-N 2 2 411.384 4.209 20 0 HIADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Br)c1OC ZINC000543459915 940069944 /nfs/dbraw/zinc/06/99/44/940069944.db2.gz GSSXXCKKQPYJMB-HOCLYGCPSA-N 2 2 411.384 4.209 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NC(C)(C)C[N@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000543578413 940117109 /nfs/dbraw/zinc/11/71/09/940117109.db2.gz GEDMYGXLOMCRJZ-UHFFFAOYSA-N 2 2 417.557 4.038 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NC(C)(C)C[N@@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000543578413 940117115 /nfs/dbraw/zinc/11/71/15/940117115.db2.gz GEDMYGXLOMCRJZ-UHFFFAOYSA-N 2 2 417.557 4.038 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000543972384 940278368 /nfs/dbraw/zinc/27/83/68/940278368.db2.gz UANXHVHIMZZNGY-NRFANRHFSA-N 2 2 417.985 4.041 20 0 HIADLP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543987775 940284157 /nfs/dbraw/zinc/28/41/57/940284157.db2.gz INFUPFXDJIZPDD-AZUAARDMSA-N 2 2 400.592 4.189 20 0 HIADLP CC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1OCC(=O)N1CCCC1 ZINC000544189170 940348328 /nfs/dbraw/zinc/34/83/28/940348328.db2.gz LLGCGBMSULGJQO-OAQYLSRUSA-N 2 2 424.570 4.176 20 0 HIADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000544205619 940353609 /nfs/dbraw/zinc/35/36/09/940353609.db2.gz YHHUVVPMABGVAN-JOCHJYFZSA-N 2 2 420.601 4.146 20 0 HIADLP C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000544224926 940360063 /nfs/dbraw/zinc/36/00/63/940360063.db2.gz NIAGNQBPKXVCMO-KNQAVFIVSA-N 2 2 408.590 4.130 20 0 HIADLP C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000544224926 940360067 /nfs/dbraw/zinc/36/00/67/940360067.db2.gz NIAGNQBPKXVCMO-KNQAVFIVSA-N 2 2 408.590 4.130 20 0 HIADLP CC1CCC([NH+]2CCN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)CC2)CC1 ZINC000544225712 940360231 /nfs/dbraw/zinc/36/02/31/940360231.db2.gz ZCXBOONDOYHCDX-NJEKYYFSSA-N 2 2 412.622 4.216 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000544359222 940400620 /nfs/dbraw/zinc/40/06/20/940400620.db2.gz FKUPUBCRODNGLO-SANMLTNESA-N 2 2 418.560 4.237 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000545205271 940555855 /nfs/dbraw/zinc/55/58/55/940555855.db2.gz CKVJRNRYZMCYJV-HSZRJFAPSA-N 2 2 400.950 4.437 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000545912376 940656964 /nfs/dbraw/zinc/65/69/64/940656964.db2.gz RARFEWABNZFVDM-HSZRJFAPSA-N 2 2 400.950 4.437 20 0 HIADLP Cc1nc(C[NH+]2CCC(c3nc(-c4ccc(C[NH+]5CCCC5)cc4)no3)CC2)cs1 ZINC000546249296 940748089 /nfs/dbraw/zinc/74/80/89/940748089.db2.gz NUHJRCCGZCICMM-UHFFFAOYSA-N 2 2 423.586 4.477 20 0 HIADLP CSCC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000548490912 941109089 /nfs/dbraw/zinc/10/90/89/941109089.db2.gz SQTLSCANECXNEL-GIVPXCGWSA-N 2 2 409.603 4.024 20 0 HIADLP CSCC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000548490912 941109093 /nfs/dbraw/zinc/10/90/93/941109093.db2.gz SQTLSCANECXNEL-GIVPXCGWSA-N 2 2 409.603 4.024 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000549446486 941190886 /nfs/dbraw/zinc/19/08/86/941190886.db2.gz SUUJZZNNECMEFL-QTDGGUCWSA-N 2 2 401.570 4.074 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000549446486 941190888 /nfs/dbraw/zinc/19/08/88/941190888.db2.gz SUUJZZNNECMEFL-QTDGGUCWSA-N 2 2 401.570 4.074 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1=O ZINC000549446486 941190889 /nfs/dbraw/zinc/19/08/89/941190889.db2.gz SUUJZZNNECMEFL-QTDGGUCWSA-N 2 2 401.570 4.074 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1=O ZINC000549446486 941190891 /nfs/dbraw/zinc/19/08/91/941190891.db2.gz SUUJZZNNECMEFL-QTDGGUCWSA-N 2 2 401.570 4.074 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000550175433 941293486 /nfs/dbraw/zinc/29/34/86/941293486.db2.gz UJSSLVMAXPCVMY-NHCUHLMSSA-N 2 2 416.569 4.339 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4sc(Br)cc43)[nH+]c2)C1 ZINC000550760149 941363685 /nfs/dbraw/zinc/36/36/85/941363685.db2.gz TUWGKDBDQKXPMB-HIFRSBDPSA-N 2 2 407.381 4.145 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000551030045 941397441 /nfs/dbraw/zinc/39/74/41/941397441.db2.gz DYGLFRCTKAIKIZ-UWUFEASWSA-N 3 2 410.581 4.064 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000551030045 941397442 /nfs/dbraw/zinc/39/74/42/941397442.db2.gz DYGLFRCTKAIKIZ-UWUFEASWSA-N 3 2 410.581 4.064 20 0 HIADLP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000551030045 941397444 /nfs/dbraw/zinc/39/74/44/941397444.db2.gz DYGLFRCTKAIKIZ-UWUFEASWSA-N 2 2 410.581 4.064 20 0 HIADLP CC[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(C(=O)OC)cc1 ZINC000551051609 941401201 /nfs/dbraw/zinc/40/12/01/941401201.db2.gz SLXYVEIFJLQZMQ-CVDCTZTESA-N 2 2 410.558 4.414 20 0 HIADLP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000552338714 941637945 /nfs/dbraw/zinc/63/79/45/941637945.db2.gz NPMYHWMIEZQJRH-QYYYHEGRSA-N 2 2 411.512 4.076 20 0 HIADLP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000552338714 941637947 /nfs/dbraw/zinc/63/79/47/941637947.db2.gz NPMYHWMIEZQJRH-QYYYHEGRSA-N 2 2 411.512 4.076 20 0 HIADLP CC(C)Oc1ccc([C@H](CNC2CC[NH+](CCC(F)(F)F)CC2)[NH+](C)C)cc1 ZINC000554088201 942033949 /nfs/dbraw/zinc/03/39/49/942033949.db2.gz LVLWUJDMQVZWPN-FQEVSTJZSA-N 2 2 401.517 4.083 20 0 HIADLP COCCCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000554918987 942319431 /nfs/dbraw/zinc/31/94/31/942319431.db2.gz JGVVVQQXGUFHEU-RXVVDRJESA-N 2 2 424.511 4.111 20 0 HIADLP COCCCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000554918987 942319435 /nfs/dbraw/zinc/31/94/35/942319435.db2.gz JGVVVQQXGUFHEU-RXVVDRJESA-N 2 2 424.511 4.111 20 0 HIADLP CCC1(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000555364346 942496376 /nfs/dbraw/zinc/49/63/76/942496376.db2.gz ZOJROBTWXBRHMQ-FYYLOGMGSA-N 2 2 423.605 4.168 20 0 HIADLP C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000555608445 942667386 /nfs/dbraw/zinc/66/73/86/942667386.db2.gz MCODJSXCQSDAGH-NBGIEHNGSA-N 2 2 423.576 4.174 20 0 HIADLP CSCc1cnc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000555612161 942670135 /nfs/dbraw/zinc/67/01/35/942670135.db2.gz KCOSGLQTNNTSRG-IBGZPJMESA-N 2 2 417.644 4.025 20 0 HIADLP CSCc1cnc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000555612161 942670148 /nfs/dbraw/zinc/67/01/48/942670148.db2.gz KCOSGLQTNNTSRG-IBGZPJMESA-N 2 2 417.644 4.025 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000556241202 942825251 /nfs/dbraw/zinc/82/52/51/942825251.db2.gz QVGOZMAHYQEPQR-YZZKKUAISA-N 2 2 406.505 4.414 20 0 HIADLP CC1CCC(OC2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)CC1 ZINC000556498082 942884721 /nfs/dbraw/zinc/88/47/21/942884721.db2.gz WCRZPDXFDARLNZ-LQOCYXTFSA-N 2 2 400.607 4.337 20 0 HIADLP CC1CCC(OC2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)CC1 ZINC000556498082 942884724 /nfs/dbraw/zinc/88/47/24/942884724.db2.gz WCRZPDXFDARLNZ-LQOCYXTFSA-N 2 2 400.607 4.337 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000557247389 943061230 /nfs/dbraw/zinc/06/12/30/943061230.db2.gz PJEVLXHLFFWMNJ-YWZLYKJASA-N 2 2 422.411 4.329 20 0 HIADLP Cc1cc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c(C)s1 ZINC000557521107 943187559 /nfs/dbraw/zinc/18/75/59/943187559.db2.gz LQOSMCVUTJSJOP-HNNXBMFYSA-N 2 2 406.621 4.343 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000558485551 943572127 /nfs/dbraw/zinc/57/21/27/943572127.db2.gz DQCKMIIBBVMFOG-OXQOHEQNSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000558485551 943572132 /nfs/dbraw/zinc/57/21/32/943572132.db2.gz DQCKMIIBBVMFOG-OXQOHEQNSA-N 2 2 413.363 4.097 20 0 HIADLP Brc1cc2c(s1)CC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000559739562 944041814 /nfs/dbraw/zinc/04/18/14/944041814.db2.gz KSDZXINPUFIYEH-KRWDZBQOSA-N 2 2 407.377 4.120 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H]1c1ccccc1 ZINC000559790460 944051664 /nfs/dbraw/zinc/05/16/64/944051664.db2.gz XIVMGBZTJUJZAP-DQLDELGASA-N 2 2 401.913 4.010 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H]1c1ccccc1 ZINC000559790460 944051675 /nfs/dbraw/zinc/05/16/75/944051675.db2.gz XIVMGBZTJUJZAP-DQLDELGASA-N 2 2 401.913 4.010 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccccc2Br)C[C@@H]1c1ccccc1 ZINC000559829975 944063063 /nfs/dbraw/zinc/06/30/63/944063063.db2.gz AFHPUPCXMQRHSI-IOMROCGXSA-N 2 2 403.364 4.298 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccccc2Br)C[C@@H]1c1ccccc1 ZINC000559829975 944063076 /nfs/dbraw/zinc/06/30/76/944063076.db2.gz AFHPUPCXMQRHSI-IOMROCGXSA-N 2 2 403.364 4.298 20 0 HIADLP CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)c2C1 ZINC000559961283 944101156 /nfs/dbraw/zinc/10/11/56/944101156.db2.gz SMMDPIMHDYCCGR-QGZVFWFLSA-N 2 2 401.576 4.053 20 0 HIADLP CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)c2C1 ZINC000559961283 944101161 /nfs/dbraw/zinc/10/11/61/944101161.db2.gz SMMDPIMHDYCCGR-QGZVFWFLSA-N 2 2 401.576 4.053 20 0 HIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC(OCC4CCCCC4)CC3)C2)cc1 ZINC000564233027 945450532 /nfs/dbraw/zinc/45/05/32/945450532.db2.gz PFGCQFBTENIIEQ-RUZDIDTESA-N 2 2 400.607 4.339 20 0 HIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC(OCC4CCCCC4)CC3)C2)cc1 ZINC000564233027 945450561 /nfs/dbraw/zinc/45/05/61/945450561.db2.gz PFGCQFBTENIIEQ-RUZDIDTESA-N 2 2 400.607 4.339 20 0 HIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc3c(C)cccn23)cc1 ZINC000566036620 945988475 /nfs/dbraw/zinc/98/84/75/945988475.db2.gz PZBZYKWWSMHIIU-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc3c(C)cccn23)cc1 ZINC000566036620 945988489 /nfs/dbraw/zinc/98/84/89/945988489.db2.gz PZBZYKWWSMHIIU-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc(OC)c1OCC(F)F ZINC000567000426 946211226 /nfs/dbraw/zinc/21/12/26/946211226.db2.gz AOBQTRXYYNYCKA-UHFFFAOYSA-N 2 2 422.472 4.095 20 0 HIADLP c1ccc(C[N@H+]2CC[C@@H](Sc3nnc(C[NH+]4CCCC4)n3-c3ccccc3)C2)cc1 ZINC000568972807 946787050 /nfs/dbraw/zinc/78/70/50/946787050.db2.gz YQUFOJGUGCAMDY-JOCHJYFZSA-N 2 2 419.598 4.230 20 0 HIADLP c1ccc(C[N@@H+]2CC[C@@H](Sc3nnc(C[NH+]4CCCC4)n3-c3ccccc3)C2)cc1 ZINC000568972807 946787063 /nfs/dbraw/zinc/78/70/63/946787063.db2.gz YQUFOJGUGCAMDY-JOCHJYFZSA-N 2 2 419.598 4.230 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000570011249 947073721 /nfs/dbraw/zinc/07/37/21/947073721.db2.gz ARIFZFYULWXMMJ-INIZCTEOSA-N 2 2 419.928 4.073 20 0 HIADLP C[C@@H]1C[N@H+](CC(Cc2ccccc2)Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000570559606 947299251 /nfs/dbraw/zinc/29/92/51/947299251.db2.gz IZCYHWLTJZPRIA-YIXXDRMTSA-N 2 2 405.630 4.046 20 0 HIADLP C[C@@H]1C[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000570559606 947299295 /nfs/dbraw/zinc/29/92/95/947299295.db2.gz IZCYHWLTJZPRIA-YIXXDRMTSA-N 2 2 405.630 4.046 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000571567438 947706801 /nfs/dbraw/zinc/70/68/01/947706801.db2.gz KSMGTPZBDMUDGU-UHFFFAOYSA-N 2 2 406.921 4.128 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000571567438 947706814 /nfs/dbraw/zinc/70/68/14/947706814.db2.gz KSMGTPZBDMUDGU-UHFFFAOYSA-N 2 2 406.921 4.128 20 0 HIADLP CN(C(=O)Nc1cccc2cccnc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000572665020 947972200 /nfs/dbraw/zinc/97/22/00/947972200.db2.gz BMADXICRZSGCHU-FGZHOGPDSA-N 2 2 409.578 4.036 20 0 HIADLP CN(C(=O)Nc1cccc2cccnc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000572665020 947972216 /nfs/dbraw/zinc/97/22/16/947972216.db2.gz BMADXICRZSGCHU-FGZHOGPDSA-N 2 2 409.578 4.036 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3OC(F)(F)F)c2)CCO1 ZINC000573391814 948178673 /nfs/dbraw/zinc/17/86/73/948178673.db2.gz QNZFIEYFOZABDK-OAHLLOKOSA-N 2 2 412.427 4.235 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3OC(F)(F)F)c2)CCO1 ZINC000573391814 948178676 /nfs/dbraw/zinc/17/86/76/948178676.db2.gz QNZFIEYFOZABDK-OAHLLOKOSA-N 2 2 412.427 4.235 20 0 HIADLP CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000573708589 948279334 /nfs/dbraw/zinc/27/93/34/948279334.db2.gz WLTFNZKLMWKEPR-QGZVFWFLSA-N 2 2 416.591 4.063 20 0 HIADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000573712233 948280544 /nfs/dbraw/zinc/28/05/44/948280544.db2.gz WSGZUTGXOSYYRZ-NRFANRHFSA-N 2 2 415.541 4.132 20 0 HIADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000573712233 948280553 /nfs/dbraw/zinc/28/05/53/948280553.db2.gz WSGZUTGXOSYYRZ-NRFANRHFSA-N 2 2 415.541 4.132 20 0 HIADLP C[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574123067 948372616 /nfs/dbraw/zinc/37/26/16/948372616.db2.gz ITTFKSATFWYYFW-AEFFLSMTSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574123067 948372625 /nfs/dbraw/zinc/37/26/25/948372625.db2.gz ITTFKSATFWYYFW-AEFFLSMTSA-N 2 2 413.363 4.097 20 0 HIADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3ccc(C)cc31)CC2 ZINC001164717441 720116274 /nfs/dbraw/zinc/11/62/74/720116274.db2.gz PAEZGTVICMLREX-HSZRJFAPSA-N 2 2 416.569 4.446 20 0 HIADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3ccc(C)cc31)CC2 ZINC001164717441 720116277 /nfs/dbraw/zinc/11/62/77/720116277.db2.gz PAEZGTVICMLREX-HSZRJFAPSA-N 2 2 416.569 4.446 20 0 HIADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c3ccccc3[nH+]1)CC2 ZINC001164787841 721458897 /nfs/dbraw/zinc/45/88/97/721458897.db2.gz SPXVLDWJLBCNHJ-JOCHJYFZSA-N 2 2 423.601 4.277 20 0 HIADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)c3ccccc3[nH+]1)CC2 ZINC001164787841 721458899 /nfs/dbraw/zinc/45/88/99/721458899.db2.gz SPXVLDWJLBCNHJ-JOCHJYFZSA-N 2 2 423.601 4.277 20 0 HIADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3ccc(C)cc31)CC2 ZINC001164789878 721459638 /nfs/dbraw/zinc/45/96/38/721459638.db2.gz YBUMERNEWHGNRR-HSZRJFAPSA-N 2 2 423.601 4.277 20 0 HIADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3ccc(C)cc31)CC2 ZINC001164789878 721459639 /nfs/dbraw/zinc/45/96/39/721459639.db2.gz YBUMERNEWHGNRR-HSZRJFAPSA-N 2 2 423.601 4.277 20 0 HIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]cnc3c2ccn3C(C)C)CC1 ZINC001165022579 721842906 /nfs/dbraw/zinc/84/29/06/721842906.db2.gz PLUOMHIYAMEZTC-UHFFFAOYSA-N 2 2 423.561 4.130 20 0 HIADLP COc1cccc2c(NCc3cccc(OCC[N@H+](C)C4CCOCC4)c3)cc[nH+]c12 ZINC000436283178 861590212 /nfs/dbraw/zinc/59/02/12/861590212.db2.gz KZYWULHHEGUIDM-UHFFFAOYSA-N 2 2 421.541 4.345 20 0 HIADLP COc1cccc2c(NCc3cccc(OCC[N@@H+](C)C4CCOCC4)c3)cc[nH+]c12 ZINC000436283178 861590223 /nfs/dbraw/zinc/59/02/23/861590223.db2.gz KZYWULHHEGUIDM-UHFFFAOYSA-N 2 2 421.541 4.345 20 0 HIADLP Cc1cc(C(=O)[C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(C)n1Cc1ccco1 ZINC000436286483 861591632 /nfs/dbraw/zinc/59/16/32/861591632.db2.gz QZBRPWUAUTVAAP-LJQANCHMSA-N 2 2 408.546 4.006 20 0 HIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000017318274 846245762 /nfs/dbraw/zinc/24/57/62/846245762.db2.gz GSSRTMZNIQULEI-UHFFFAOYSA-N 2 2 424.976 4.015 20 0 HIADLP COc1ccc([C@@H](CNC(=O)C[N@H+](C)[C@@H](C)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000029703361 847603651 /nfs/dbraw/zinc/60/36/51/847603651.db2.gz BUJDNBVQYXFRBT-GHTZIAJQSA-N 2 2 415.603 4.093 20 0 HIADLP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000029703361 847603655 /nfs/dbraw/zinc/60/36/55/847603655.db2.gz BUJDNBVQYXFRBT-GHTZIAJQSA-N 2 2 415.603 4.093 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000436495937 861824895 /nfs/dbraw/zinc/82/48/95/861824895.db2.gz POTWNSZDRVFRIH-QGZVFWFLSA-N 2 2 413.541 4.171 20 0 HIADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1OCc1ccncc1 ZINC000047752004 849104013 /nfs/dbraw/zinc/10/40/13/849104013.db2.gz OJFUPOJXKSZUDQ-UHFFFAOYSA-N 2 2 400.482 4.145 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000048711352 849258247 /nfs/dbraw/zinc/25/82/47/849258247.db2.gz ZYAPMGMJIOBZEV-UHFFFAOYSA-N 2 2 407.468 4.302 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC2)CC1 ZINC000051272509 849451128 /nfs/dbraw/zinc/45/11/28/849451128.db2.gz SUZMWEWAJOFJFI-DEOSSOPVSA-N 2 2 412.622 4.166 20 0 HIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@H+](C)C2Cc3ccccc3C2)c1=S ZINC000057104335 850548961 /nfs/dbraw/zinc/54/89/61/850548961.db2.gz BXEGUOFZCQDNDK-HXUWFJFHSA-N 2 2 401.624 4.284 20 0 HIADLP CCCCn1c([C@@H](CC)[NH+](C)C)nn(C[N@@H+](C)C2Cc3ccccc3C2)c1=S ZINC000057104335 850548966 /nfs/dbraw/zinc/54/89/66/850548966.db2.gz BXEGUOFZCQDNDK-HXUWFJFHSA-N 2 2 401.624 4.284 20 0 HIADLP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058788526 850927353 /nfs/dbraw/zinc/92/73/53/850927353.db2.gz QOJZPGVOSFAEGU-DEOSSOPVSA-N 2 2 423.626 4.079 20 0 HIADLP CC(=O)N(c1nc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cs1)C1CC1 ZINC000112634477 853235384 /nfs/dbraw/zinc/23/53/84/853235384.db2.gz ZCBVFLRNFGTLDS-UHFFFAOYSA-N 2 2 412.603 4.002 20 0 HIADLP CC(=O)N(c1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cs1)C1CC1 ZINC000112634477 853235388 /nfs/dbraw/zinc/23/53/88/853235388.db2.gz ZCBVFLRNFGTLDS-UHFFFAOYSA-N 2 2 412.603 4.002 20 0 HIADLP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](Cn3cc[nH+]c3)C(C)(C)C)c2)cc1 ZINC000116737859 853330954 /nfs/dbraw/zinc/33/09/54/853330954.db2.gz NAYITHYERFCPDQ-QFIPXVFZSA-N 2 2 406.530 4.349 20 0 HIADLP Cc1ccc(Oc2ccccc2NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000215992910 853841397 /nfs/dbraw/zinc/84/13/97/853841397.db2.gz AFKCZXJGBGHVNC-UHFFFAOYSA-N 2 2 422.573 4.467 20 0 HIADLP Brc1ccc2c(c1)C=C(C[NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CO2 ZINC000236633029 853906405 /nfs/dbraw/zinc/90/64/05/853906405.db2.gz LZSAEXXJYFQNJF-UHFFFAOYSA-N 2 2 410.315 4.260 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000236853069 853928972 /nfs/dbraw/zinc/92/89/72/853928972.db2.gz NMGKGNUZYXUUOH-IBGZPJMESA-N 3 2 407.537 4.004 20 0 HIADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1OCc1cccnc1 ZINC000237409405 854025589 /nfs/dbraw/zinc/02/55/89/854025589.db2.gz QFSZRPCBZNYNNM-DEOSSOPVSA-N 2 2 417.553 4.423 20 0 HIADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1OCc1cccnc1 ZINC000237409405 854025600 /nfs/dbraw/zinc/02/56/00/854025600.db2.gz QFSZRPCBZNYNNM-DEOSSOPVSA-N 2 2 417.553 4.423 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)cn1 ZINC000237655326 854068650 /nfs/dbraw/zinc/06/86/50/854068650.db2.gz WKWYSFVIBKQDGG-UHFFFAOYSA-N 2 2 412.541 4.404 20 0 HIADLP Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)cc12 ZINC000237721626 854082639 /nfs/dbraw/zinc/08/26/39/854082639.db2.gz KDMWPGXQVIBSHV-UHFFFAOYSA-N 2 2 422.536 4.478 20 0 HIADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)cc2)n1 ZINC000237756987 854090072 /nfs/dbraw/zinc/09/00/72/854090072.db2.gz QUPZLPDHXABNPC-UHFFFAOYSA-N 2 2 411.431 4.426 20 0 HIADLP Fc1cc(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)ccc1-n1cc[nH+]c1 ZINC000237845747 854107582 /nfs/dbraw/zinc/10/75/82/854107582.db2.gz PVZISOSIQPDKKR-UHFFFAOYSA-N 2 2 414.278 4.340 20 0 HIADLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCN1c1ccccc1Cl ZINC000237911489 854118073 /nfs/dbraw/zinc/11/80/73/854118073.db2.gz BMJFGWPXKSIXRL-QFIPXVFZSA-N 2 2 411.977 4.132 20 0 HIADLP COc1ccc([C@@H](CNc2cc(C)[nH+]c3ccccc23)[NH+]2CCOCC2)cc1OC ZINC000301056378 854282843 /nfs/dbraw/zinc/28/28/43/854282843.db2.gz AMDLBCCZIOWHSR-JOCHJYFZSA-N 2 2 407.514 4.046 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000301118480 854301924 /nfs/dbraw/zinc/30/19/24/854301924.db2.gz PMSKKQXWCWYLTN-RTBURBONSA-N 2 2 407.587 4.459 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000301118480 854301932 /nfs/dbraw/zinc/30/19/32/854301932.db2.gz PMSKKQXWCWYLTN-RTBURBONSA-N 2 2 407.587 4.459 20 0 HIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H](Cc4[nH+]ccn4C)C3)c2c1C ZINC000301705910 854448997 /nfs/dbraw/zinc/44/89/97/854448997.db2.gz IGQQVKHIOSJWLE-GOSISDBHSA-N 2 2 424.618 4.097 20 0 HIADLP CSc1nc2ncnc(Nc3ccc([NH+]4CCC(C[NH+](C)C)CC4)cc3)c2s1 ZINC000301968705 854506390 /nfs/dbraw/zinc/50/63/90/854506390.db2.gz YWJRBSBKFMTGEQ-UHFFFAOYSA-N 2 2 414.604 4.330 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccc(Cl)cc1 ZINC000303026684 854729032 /nfs/dbraw/zinc/72/90/32/854729032.db2.gz OJERPCVUXXTGRW-AABGKKOBSA-N 2 2 406.014 4.350 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccc(Cl)cc1 ZINC000303026684 854729035 /nfs/dbraw/zinc/72/90/35/854729035.db2.gz OJERPCVUXXTGRW-AABGKKOBSA-N 2 2 406.014 4.350 20 0 HIADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000303040876 854735375 /nfs/dbraw/zinc/73/53/75/854735375.db2.gz PVUOWIOIDVXYJR-WOJBJXKFSA-N 2 2 424.589 4.069 20 0 HIADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000303040876 854735382 /nfs/dbraw/zinc/73/53/82/854735382.db2.gz PVUOWIOIDVXYJR-WOJBJXKFSA-N 2 2 424.589 4.069 20 0 HIADLP COc1ccc2c(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc2c1 ZINC000303768778 855186600 /nfs/dbraw/zinc/18/66/00/855186600.db2.gz QIULBCLMHVIYLU-NQIIRXRSSA-N 2 2 406.526 4.287 20 0 HIADLP COc1ccc2c(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc2c1 ZINC000303768778 855186602 /nfs/dbraw/zinc/18/66/02/855186602.db2.gz QIULBCLMHVIYLU-NQIIRXRSSA-N 2 2 406.526 4.287 20 0 HIADLP COc1ccc2c(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc2c1 ZINC000303768778 855186604 /nfs/dbraw/zinc/18/66/04/855186604.db2.gz QIULBCLMHVIYLU-NQIIRXRSSA-N 2 2 406.526 4.287 20 0 HIADLP COc1ccc2c(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc2c1 ZINC000303768778 855186607 /nfs/dbraw/zinc/18/66/07/855186607.db2.gz QIULBCLMHVIYLU-NQIIRXRSSA-N 2 2 406.526 4.287 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000398016326 855473938 /nfs/dbraw/zinc/47/39/38/855473938.db2.gz HBPUQAOLYUIQDX-DNVCBOLYSA-N 2 2 418.335 4.358 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000398016326 855473939 /nfs/dbraw/zinc/47/39/39/855473939.db2.gz HBPUQAOLYUIQDX-DNVCBOLYSA-N 2 2 418.335 4.358 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1)C1CC1 ZINC000410305695 855917740 /nfs/dbraw/zinc/91/77/40/855917740.db2.gz IXBGJSOGZWZAMG-OAQYLSRUSA-N 2 2 406.574 4.224 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1)C1CC1 ZINC000410305695 855917741 /nfs/dbraw/zinc/91/77/41/855917741.db2.gz IXBGJSOGZWZAMG-OAQYLSRUSA-N 2 2 406.574 4.224 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000426164523 856148775 /nfs/dbraw/zinc/14/87/75/856148775.db2.gz YNHYRCPWZKLPHB-OAHLLOKOSA-N 2 2 403.452 4.284 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000426164523 856148780 /nfs/dbraw/zinc/14/87/80/856148780.db2.gz YNHYRCPWZKLPHB-OAHLLOKOSA-N 2 2 403.452 4.284 20 0 HIADLP Cc1ccc([C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000426304541 856234100 /nfs/dbraw/zinc/23/41/00/856234100.db2.gz CWACNSFDVCYYPR-HJOGWXRNSA-N 2 2 417.557 4.022 20 0 HIADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000426777841 856473066 /nfs/dbraw/zinc/47/30/66/856473066.db2.gz RBKJNUGDUYPNMS-OALUTQOASA-N 2 2 422.013 4.107 20 0 HIADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000426789987 856479280 /nfs/dbraw/zinc/47/92/80/856479280.db2.gz ZJYMYRPGNQZVDD-CEXWTWQISA-N 2 2 422.013 4.187 20 0 HIADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000426789987 856479284 /nfs/dbraw/zinc/47/92/84/856479284.db2.gz ZJYMYRPGNQZVDD-CEXWTWQISA-N 2 2 422.013 4.187 20 0 HIADLP Fc1ccccc1[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000427865889 856986747 /nfs/dbraw/zinc/98/67/47/856986747.db2.gz OGZGOKWSAKKHDP-UZLBHIALSA-N 2 2 400.295 4.479 20 0 HIADLP CCOc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc(Cl)c1OC ZINC000428555340 857263334 /nfs/dbraw/zinc/26/33/34/857263334.db2.gz XRCOFOSQCKXPBT-FQEVSTJZSA-N 2 2 418.965 4.128 20 0 HIADLP CCOc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc(Cl)c1OC ZINC000428555340 857263345 /nfs/dbraw/zinc/26/33/45/857263345.db2.gz XRCOFOSQCKXPBT-FQEVSTJZSA-N 2 2 418.965 4.128 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000428765951 857325445 /nfs/dbraw/zinc/32/54/45/857325445.db2.gz LNKGEJUSCBJDDY-UHFFFAOYSA-N 2 2 411.594 4.053 20 0 HIADLP C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429412395 857651729 /nfs/dbraw/zinc/65/17/29/857651729.db2.gz MPKQOJIAVLKKPE-SJLPKXTDSA-N 2 2 414.347 4.137 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)N(C)Cc3cn4c([nH+]3)CCCC4)c2)CC1 ZINC000429613691 857794997 /nfs/dbraw/zinc/79/49/97/857794997.db2.gz UTLVJDOUZRHDQW-UHFFFAOYSA-N 2 2 409.578 4.158 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000429799725 857889575 /nfs/dbraw/zinc/88/95/75/857889575.db2.gz GJHBGOWMAPQCJK-RYGJVYDSSA-N 2 2 412.405 4.319 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000429799725 857889577 /nfs/dbraw/zinc/88/95/77/857889577.db2.gz GJHBGOWMAPQCJK-RYGJVYDSSA-N 2 2 412.405 4.319 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000429799725 857889582 /nfs/dbraw/zinc/88/95/82/857889582.db2.gz GJHBGOWMAPQCJK-RYGJVYDSSA-N 2 2 412.405 4.319 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000429799725 857889586 /nfs/dbraw/zinc/88/95/86/857889586.db2.gz GJHBGOWMAPQCJK-RYGJVYDSSA-N 2 2 412.405 4.319 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000429799730 857889758 /nfs/dbraw/zinc/88/97/58/857889758.db2.gz GJHBGOWMAPQCJK-YSSFQJQWSA-N 2 2 412.405 4.319 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000429799730 857889763 /nfs/dbraw/zinc/88/97/63/857889763.db2.gz GJHBGOWMAPQCJK-YSSFQJQWSA-N 2 2 412.405 4.319 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000429799730 857889765 /nfs/dbraw/zinc/88/97/65/857889765.db2.gz GJHBGOWMAPQCJK-YSSFQJQWSA-N 2 2 412.405 4.319 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000429799730 857889770 /nfs/dbraw/zinc/88/97/70/857889770.db2.gz GJHBGOWMAPQCJK-YSSFQJQWSA-N 2 2 412.405 4.319 20 0 HIADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)NCC1([NH+]3CCCCC3)CC[NH+](C)CC1)CC2 ZINC000430053124 858013390 /nfs/dbraw/zinc/01/33/90/858013390.db2.gz KWDQTBPYIQGUKG-HSZRJFAPSA-N 2 2 412.622 4.047 20 0 HIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CO)c3ccc(Br)c(F)c3)CC2)C1 ZINC000430154260 858054890 /nfs/dbraw/zinc/05/48/90/858054890.db2.gz ZMKBCSWGCYUYFG-CFLQYTFWSA-N 2 2 413.375 4.254 20 0 HIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000431215995 858508998 /nfs/dbraw/zinc/50/89/98/858508998.db2.gz KKINMTYOKUWCGH-NWSQWKLXSA-N 2 2 416.610 4.102 20 0 HIADLP COc1cccc(C2(F)CC[NH+](Cc3nc4c(s3)C[N@@H+](C(C)C)CC4)CC2)c1 ZINC000467548857 881369181 /nfs/dbraw/zinc/36/91/81/881369181.db2.gz RPQSWAGNOWHHRH-UHFFFAOYSA-N 2 2 403.567 4.379 20 0 HIADLP COc1cccc(C2(F)CC[NH+](Cc3nc4c(s3)C[N@H+](C(C)C)CC4)CC2)c1 ZINC000467548857 881369201 /nfs/dbraw/zinc/36/92/01/881369201.db2.gz RPQSWAGNOWHHRH-UHFFFAOYSA-N 2 2 403.567 4.379 20 0 HIADLP Cc1cc(Br)cn2c(CNc3cccc4c3OCC[C@@H]4[NH+](C)C)c[nH+]c12 ZINC000433202419 859564614 /nfs/dbraw/zinc/56/46/14/859564614.db2.gz QLQNTCXVAHPLDX-SFHVURJKSA-N 2 2 415.335 4.403 20 0 HIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433406496 859681501 /nfs/dbraw/zinc/68/15/01/859681501.db2.gz PNIBYEYMHBIAIS-PXNSSMCTSA-N 2 2 401.526 4.200 20 0 HIADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467730351 881529984 /nfs/dbraw/zinc/52/99/84/881529984.db2.gz AZFIDJPUHIXZHF-STQMWFEESA-N 2 2 416.488 4.465 20 0 HIADLP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434682736 860458153 /nfs/dbraw/zinc/45/81/53/860458153.db2.gz DFHDROYPDFVLRB-WMZHIEFXSA-N 2 2 408.590 4.445 20 0 HIADLP CC(C)[C@@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000434683405 860458304 /nfs/dbraw/zinc/45/83/04/860458304.db2.gz GJQXTKQPZATQGT-HSZRJFAPSA-N 2 2 412.553 4.051 20 0 HIADLP c1[nH+]c(C2CC[NH+](Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)n2c1CCCC2 ZINC000434687334 860460886 /nfs/dbraw/zinc/46/08/86/860460886.db2.gz WVDWZDZUKRXREU-UHFFFAOYSA-N 2 2 422.554 4.451 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000434756227 860483508 /nfs/dbraw/zinc/48/35/08/860483508.db2.gz YOZFMFGINFDMJX-UHFFFAOYSA-N 2 2 406.452 4.056 20 0 HIADLP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc2c(c1)CCCC2 ZINC000434760206 860484314 /nfs/dbraw/zinc/48/43/14/860484314.db2.gz YPBSIZOGKWMCLU-LJQANCHMSA-N 2 2 420.601 4.155 20 0 HIADLP Brc1ccc2ncc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2c1 ZINC000435062203 860622691 /nfs/dbraw/zinc/62/26/91/860622691.db2.gz XXXDFLVKLRRKPM-UHFFFAOYSA-N 2 2 414.351 4.009 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000438228592 863665770 /nfs/dbraw/zinc/66/57/70/863665770.db2.gz DYJVVOFLOZOYEB-UHFFFAOYSA-N 2 2 416.610 4.026 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000438228592 863665792 /nfs/dbraw/zinc/66/57/92/863665792.db2.gz DYJVVOFLOZOYEB-UHFFFAOYSA-N 2 2 416.610 4.026 20 0 HIADLP c1coc([C@@H]2C[NH+](Cc3ccc(C[N@@H+]4CCO[C@H](c5ccco5)C4)cc3)CCO2)c1 ZINC000438542084 863970095 /nfs/dbraw/zinc/97/00/95/863970095.db2.gz ACFBRNBYAPNTJK-ZEQRLZLVSA-N 2 2 408.498 4.020 20 0 HIADLP c1coc([C@@H]2C[NH+](Cc3ccc(C[N@H+]4CCO[C@H](c5ccco5)C4)cc3)CCO2)c1 ZINC000438542084 863970113 /nfs/dbraw/zinc/97/01/13/863970113.db2.gz ACFBRNBYAPNTJK-ZEQRLZLVSA-N 2 2 408.498 4.020 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000438643173 864079762 /nfs/dbraw/zinc/07/97/62/864079762.db2.gz DOGSGZXZTLJMLB-UHFFFAOYSA-N 2 2 417.623 4.084 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000438643173 864079773 /nfs/dbraw/zinc/07/97/73/864079773.db2.gz DOGSGZXZTLJMLB-UHFFFAOYSA-N 2 2 417.623 4.084 20 0 HIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)[C@H]1c1cccs1 ZINC000439603231 864925356 /nfs/dbraw/zinc/92/53/56/864925356.db2.gz KGXJWQMYDXFHLI-PUHATCMVSA-N 2 2 411.615 4.474 20 0 HIADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)[C@H]1c1cccs1 ZINC000439603231 864925368 /nfs/dbraw/zinc/92/53/68/864925368.db2.gz KGXJWQMYDXFHLI-PUHATCMVSA-N 2 2 411.615 4.474 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468048282 881875343 /nfs/dbraw/zinc/87/53/43/881875343.db2.gz OETUKUOILSXQIP-FOIQADDNSA-N 2 2 413.363 4.326 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468048282 881875350 /nfs/dbraw/zinc/87/53/50/881875350.db2.gz OETUKUOILSXQIP-FOIQADDNSA-N 2 2 413.363 4.326 20 0 HIADLP Cc1ccc([C@H](OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000440755125 865891909 /nfs/dbraw/zinc/89/19/09/865891909.db2.gz CMJLNQISLQUNNK-TZRRMPRUSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000440755125 865891912 /nfs/dbraw/zinc/89/19/12/865891912.db2.gz CMJLNQISLQUNNK-TZRRMPRUSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000440759776 865894052 /nfs/dbraw/zinc/89/40/52/865894052.db2.gz CSSDSZKFSMNOMS-WPFOTENUSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000440759776 865894054 /nfs/dbraw/zinc/89/40/54/865894054.db2.gz CSSDSZKFSMNOMS-WPFOTENUSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000441322422 866392099 /nfs/dbraw/zinc/39/20/99/866392099.db2.gz KBTDJLBTMHTIMH-DQEYMECFSA-N 2 2 421.585 4.034 20 0 HIADLP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000441322422 866392112 /nfs/dbraw/zinc/39/21/12/866392112.db2.gz KBTDJLBTMHTIMH-DQEYMECFSA-N 2 2 421.585 4.034 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)CC[C@H]3CCCC[NH+]3C)ccc2c1 ZINC000441327243 866398156 /nfs/dbraw/zinc/39/81/56/866398156.db2.gz GKNOBYARVCANMI-WMZHIEFXSA-N 2 2 411.590 4.002 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)CC[C@H]3CCCC[NH+]3C)ccc2c1 ZINC000441327243 866398178 /nfs/dbraw/zinc/39/81/78/866398178.db2.gz GKNOBYARVCANMI-WMZHIEFXSA-N 2 2 411.590 4.002 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+](C)CC[C@H]3CCCC[N@@H+]3C)ccc2c1 ZINC000441327243 866398185 /nfs/dbraw/zinc/39/81/85/866398185.db2.gz GKNOBYARVCANMI-WMZHIEFXSA-N 2 2 411.590 4.002 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+](C)CC[C@H]3CCCC[N@H+]3C)ccc2c1 ZINC000441327243 866398186 /nfs/dbraw/zinc/39/81/86/866398186.db2.gz GKNOBYARVCANMI-WMZHIEFXSA-N 2 2 411.590 4.002 20 0 HIADLP CC[N@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616949 866714853 /nfs/dbraw/zinc/71/48/53/866714853.db2.gz CCBLVSCTUZVSRW-ZCYQVOJMSA-N 2 2 423.601 4.075 20 0 HIADLP CC[N@@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616949 866714894 /nfs/dbraw/zinc/71/48/94/866714894.db2.gz CCBLVSCTUZVSRW-ZCYQVOJMSA-N 2 2 423.601 4.075 20 0 HIADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000468205451 882084719 /nfs/dbraw/zinc/08/47/19/882084719.db2.gz HYZGSTWFBCWDKA-XMMPIXPASA-N 2 2 417.553 4.235 20 0 HIADLP COCCC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)cc1 ZINC000442871638 867706326 /nfs/dbraw/zinc/70/63/26/867706326.db2.gz IEVVGDPBZLFLAG-QFIPXVFZSA-N 2 2 400.542 4.331 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000444341705 868769403 /nfs/dbraw/zinc/76/94/03/868769403.db2.gz KDDBCOKVWMJJEJ-PGRDOPGGSA-N 2 2 421.545 4.361 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000444804662 869020441 /nfs/dbraw/zinc/02/04/41/869020441.db2.gz QAISWJJXCXGXPJ-HXUWFJFHSA-N 2 2 412.553 4.100 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000444804662 869020460 /nfs/dbraw/zinc/02/04/60/869020460.db2.gz QAISWJJXCXGXPJ-HXUWFJFHSA-N 2 2 412.553 4.100 20 0 HIADLP CC(C)Oc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(Cl)c1 ZINC000445033395 869181019 /nfs/dbraw/zinc/18/10/19/869181019.db2.gz QDHYMDGMMPUHEQ-UHFFFAOYSA-N 2 2 423.001 4.199 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000446595256 870503102 /nfs/dbraw/zinc/50/31/02/870503102.db2.gz VBXAQSIGQCROEV-XZOQPEGZSA-N 2 2 403.530 4.038 20 0 HIADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000446924174 870838059 /nfs/dbraw/zinc/83/80/59/870838059.db2.gz DFBRJTDEEVCTAE-LJQANCHMSA-N 2 2 405.995 4.248 20 0 HIADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000446924174 870838064 /nfs/dbraw/zinc/83/80/64/870838064.db2.gz DFBRJTDEEVCTAE-LJQANCHMSA-N 2 2 405.995 4.248 20 0 HIADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000447670596 871601080 /nfs/dbraw/zinc/60/10/80/871601080.db2.gz NIFIZBPWHCGGAI-UHFFFAOYSA-N 2 2 408.590 4.471 20 0 HIADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000447670596 871601091 /nfs/dbraw/zinc/60/10/91/871601091.db2.gz NIFIZBPWHCGGAI-UHFFFAOYSA-N 2 2 408.590 4.471 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c1Br ZINC000447935859 871817697 /nfs/dbraw/zinc/81/76/97/871817697.db2.gz KIJHGYYPBXSYCM-UHFFFAOYSA-N 2 2 417.351 4.006 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1Br ZINC000447935859 871817698 /nfs/dbraw/zinc/81/76/98/871817698.db2.gz KIJHGYYPBXSYCM-UHFFFAOYSA-N 2 2 417.351 4.006 20 0 HIADLP CC[N@@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000448120778 871987096 /nfs/dbraw/zinc/98/70/96/871987096.db2.gz AZZCCIUVLJSMLM-UHFFFAOYSA-N 2 2 421.545 4.187 20 0 HIADLP CC[N@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000448120778 871987116 /nfs/dbraw/zinc/98/71/16/871987116.db2.gz AZZCCIUVLJSMLM-UHFFFAOYSA-N 2 2 421.545 4.187 20 0 HIADLP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(Cl)c1F ZINC000461115636 874040625 /nfs/dbraw/zinc/04/06/25/874040625.db2.gz WOPUZLWIAMDTOT-HXUWFJFHSA-N 2 2 403.929 4.108 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2cccc(Nc3ccccc3)c2)([NH+]2CCCCC2)CC1 ZINC000461300224 874306054 /nfs/dbraw/zinc/30/60/54/874306054.db2.gz XAWXOKPFXKLSDV-UHFFFAOYSA-N 2 2 406.574 4.110 20 0 HIADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)[nH+]1 ZINC000461394930 874402406 /nfs/dbraw/zinc/40/24/06/874402406.db2.gz RBBNZLPBAKKNEY-MRXNPFEDSA-N 2 2 409.559 4.314 20 0 HIADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)[nH+]1 ZINC000461394930 874402430 /nfs/dbraw/zinc/40/24/30/874402430.db2.gz RBBNZLPBAKKNEY-MRXNPFEDSA-N 2 2 409.559 4.314 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)C2 ZINC000461473262 874529613 /nfs/dbraw/zinc/52/96/13/874529613.db2.gz RJWLYRUVHDGXNF-LEWJYISDSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000461473262 874529619 /nfs/dbraw/zinc/52/96/19/874529619.db2.gz RJWLYRUVHDGXNF-LEWJYISDSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000461473262 874529623 /nfs/dbraw/zinc/52/96/23/874529623.db2.gz RJWLYRUVHDGXNF-LEWJYISDSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000461473262 874529629 /nfs/dbraw/zinc/52/96/29/874529629.db2.gz RJWLYRUVHDGXNF-LEWJYISDSA-N 2 2 408.590 4.057 20 0 HIADLP Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)cc2)c1C ZINC000462763507 875826285 /nfs/dbraw/zinc/82/62/85/875826285.db2.gz DLHDQDYXTRPFND-QZTJIDSGSA-N 2 2 418.541 4.351 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)c2)CCO1 ZINC000463080977 876113472 /nfs/dbraw/zinc/11/34/72/876113472.db2.gz HFPYIMOXPUJOEL-DRLORSAXSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)c2)CCO1 ZINC000463080977 876113476 /nfs/dbraw/zinc/11/34/76/876113476.db2.gz HFPYIMOXPUJOEL-DRLORSAXSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c2)CCO1 ZINC000463080977 876113491 /nfs/dbraw/zinc/11/34/91/876113491.db2.gz HFPYIMOXPUJOEL-DRLORSAXSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)c2)CCO1 ZINC000463080977 876113504 /nfs/dbraw/zinc/11/35/04/876113504.db2.gz HFPYIMOXPUJOEL-DRLORSAXSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c2)CCO1 ZINC000463080977 876113514 /nfs/dbraw/zinc/11/35/14/876113514.db2.gz HFPYIMOXPUJOEL-DRLORSAXSA-N 2 2 407.602 4.050 20 0 HIADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)c2)CCO1 ZINC000463080977 876113521 /nfs/dbraw/zinc/11/35/21/876113521.db2.gz HFPYIMOXPUJOEL-DRLORSAXSA-N 2 2 407.602 4.050 20 0 HIADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)c2ccccc21 ZINC000463253824 876310724 /nfs/dbraw/zinc/31/07/24/876310724.db2.gz AGCVJYGZBQCURU-QGZVFWFLSA-N 2 2 416.997 4.222 20 0 HIADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)c2ccccc21 ZINC000463253824 876310735 /nfs/dbraw/zinc/31/07/35/876310735.db2.gz AGCVJYGZBQCURU-QGZVFWFLSA-N 2 2 416.997 4.222 20 0 HIADLP C[NH+](C)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1cccc(C(F)(F)F)c1 ZINC000463275920 876332388 /nfs/dbraw/zinc/33/23/88/876332388.db2.gz XFYRURASLUADDI-QGZVFWFLSA-N 2 2 411.434 4.315 20 0 HIADLP C[C@H](CC[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1)[NH+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463423018 876477131 /nfs/dbraw/zinc/47/71/31/876477131.db2.gz BPAVXXSSHZTVFL-GOSISDBHSA-N 2 2 404.554 4.271 20 0 HIADLP C[C@H](CC[N@H+]1Cc2ccc(O)cc2C2(CC2)C1)[NH+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463423018 876477135 /nfs/dbraw/zinc/47/71/35/876477135.db2.gz BPAVXXSSHZTVFL-GOSISDBHSA-N 2 2 404.554 4.271 20 0 HIADLP C[C@H](CC[NH+]1Cc2ccc(O)cc2C2(CC2)C1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463423018 876477141 /nfs/dbraw/zinc/47/71/41/876477141.db2.gz BPAVXXSSHZTVFL-GOSISDBHSA-N 2 2 404.554 4.271 20 0 HIADLP C[C@H](CC[NH+]1Cc2ccc(O)cc2C2(CC2)C1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463423018 876477143 /nfs/dbraw/zinc/47/71/43/876477143.db2.gz BPAVXXSSHZTVFL-GOSISDBHSA-N 2 2 404.554 4.271 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)c2C)cc1 ZINC000463744172 876866159 /nfs/dbraw/zinc/86/61/59/876866159.db2.gz HPRUBKDHSBVUEC-UHFFFAOYSA-N 2 2 418.585 4.095 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)c2C)cc1 ZINC000463744172 876866163 /nfs/dbraw/zinc/86/61/63/876866163.db2.gz HPRUBKDHSBVUEC-UHFFFAOYSA-N 2 2 418.585 4.095 20 0 HIADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844556 878115686 /nfs/dbraw/zinc/11/56/86/878115686.db2.gz BDVNSHGUHRROBD-IRLDBZIGSA-N 2 2 411.615 4.038 20 0 HIADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844556 878115691 /nfs/dbraw/zinc/11/56/91/878115691.db2.gz BDVNSHGUHRROBD-IRLDBZIGSA-N 2 2 411.615 4.038 20 0 HIADLP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844556 878115702 /nfs/dbraw/zinc/11/57/02/878115702.db2.gz BDVNSHGUHRROBD-IRLDBZIGSA-N 2 2 411.615 4.038 20 0 HIADLP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844556 878115714 /nfs/dbraw/zinc/11/57/14/878115714.db2.gz BDVNSHGUHRROBD-IRLDBZIGSA-N 2 2 411.615 4.038 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H](c2ccco2)C1 ZINC000464850154 878125707 /nfs/dbraw/zinc/12/57/07/878125707.db2.gz LTSDKVJXFRECHC-WIYYLYMNSA-N 2 2 413.587 4.240 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H](c2ccco2)C1 ZINC000464850154 878125725 /nfs/dbraw/zinc/12/57/25/878125725.db2.gz LTSDKVJXFRECHC-WIYYLYMNSA-N 2 2 413.587 4.240 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503370664 912348560 /nfs/dbraw/zinc/34/85/60/912348560.db2.gz AIODXGQJNDKKHG-NFBKMPQASA-N 2 2 420.601 4.226 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503370664 912348584 /nfs/dbraw/zinc/34/85/84/912348584.db2.gz AIODXGQJNDKKHG-NFBKMPQASA-N 2 2 420.601 4.226 20 0 HIADLP COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503372880 912352301 /nfs/dbraw/zinc/35/23/01/912352301.db2.gz HPLFJCWNVOBKFZ-SJLPKXTDSA-N 2 2 407.518 4.219 20 0 HIADLP COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503372880 912352330 /nfs/dbraw/zinc/35/23/30/912352330.db2.gz HPLFJCWNVOBKFZ-SJLPKXTDSA-N 2 2 407.518 4.219 20 0 HIADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503407454 912386382 /nfs/dbraw/zinc/38/63/82/912386382.db2.gz DWXGPPOMVLMKRS-IPJJNNNSSA-N 2 2 408.590 4.227 20 0 HIADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503407454 912386406 /nfs/dbraw/zinc/38/64/06/912386406.db2.gz DWXGPPOMVLMKRS-IPJJNNNSSA-N 2 2 408.590 4.227 20 0 HIADLP Brc1ccccc1OCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503410398 912390989 /nfs/dbraw/zinc/39/09/89/912390989.db2.gz ARKSNLVPHVWCPQ-MRXNPFEDSA-N 2 2 404.352 4.240 20 0 HIADLP Brc1ccccc1OCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503410398 912391007 /nfs/dbraw/zinc/39/10/07/912391007.db2.gz ARKSNLVPHVWCPQ-MRXNPFEDSA-N 2 2 404.352 4.240 20 0 HIADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccccc1C(F)(F)F ZINC000503410289 912391287 /nfs/dbraw/zinc/39/12/87/912391287.db2.gz MIUZXMLZXRSFJA-MRXNPFEDSA-N 2 2 420.479 4.446 20 0 HIADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccccc1C(F)(F)F ZINC000503410289 912391305 /nfs/dbraw/zinc/39/13/05/912391305.db2.gz MIUZXMLZXRSFJA-MRXNPFEDSA-N 2 2 420.479 4.446 20 0 HIADLP Cc1c(NCC(C)(C)C)cccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465437242 878869990 /nfs/dbraw/zinc/86/99/90/878869990.db2.gz HEMRYFRYIXPPJD-UHFFFAOYSA-N 2 2 414.638 4.133 20 0 HIADLP CC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000465485044 878924723 /nfs/dbraw/zinc/92/47/23/878924723.db2.gz XFQMOFROLRHIOZ-FQEVSTJZSA-N 2 2 407.002 4.041 20 0 HIADLP O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503416602 912404253 /nfs/dbraw/zinc/40/42/53/912404253.db2.gz RKTWALIPNSWAMA-YJBOKZPZSA-N 2 2 424.372 4.146 20 0 HIADLP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503416602 912404294 /nfs/dbraw/zinc/40/42/94/912404294.db2.gz RKTWALIPNSWAMA-YJBOKZPZSA-N 2 2 424.372 4.146 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)co2)cc1 ZINC000503434224 912439651 /nfs/dbraw/zinc/43/96/51/912439651.db2.gz RFXIMZSLDUBNQQ-IBGZPJMESA-N 2 2 420.513 4.041 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)co2)cc1 ZINC000503434224 912439686 /nfs/dbraw/zinc/43/96/86/912439686.db2.gz RFXIMZSLDUBNQQ-IBGZPJMESA-N 2 2 420.513 4.041 20 0 HIADLP Cc1cccc([C@@H]2CCCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000465803979 879417662 /nfs/dbraw/zinc/41/76/62/879417662.db2.gz CTNCPDXYDNDSQL-DEOSSOPVSA-N 2 2 412.622 4.099 20 0 HIADLP CCC[C@@H](CCc1ccccc1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466059557 879752464 /nfs/dbraw/zinc/75/24/64/879752464.db2.gz RZGDASMJICWXQD-QHCPKHFHSA-N 2 2 414.638 4.037 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469764662 883934240 /nfs/dbraw/zinc/93/42/40/883934240.db2.gz QKOVLUVTUYTHKG-OFNKIYASSA-N 2 2 409.578 4.052 20 0 HIADLP C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469767118 883937751 /nfs/dbraw/zinc/93/77/51/883937751.db2.gz YJVGQEQWLJLERH-KXBFYZLASA-N 2 2 414.431 4.347 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(c2ccccc2)C2CCCCC2)[C@H](C)C1 ZINC000469788407 883963543 /nfs/dbraw/zinc/96/35/43/883963543.db2.gz AQFRYWMZSNGMJK-QPPBQGQZSA-N 2 2 415.622 4.079 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(c2ccccc2)C2CCCCC2)[C@H](C)C1 ZINC000469788407 883963559 /nfs/dbraw/zinc/96/35/59/883963559.db2.gz AQFRYWMZSNGMJK-QPPBQGQZSA-N 2 2 415.622 4.079 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000469858784 884046113 /nfs/dbraw/zinc/04/61/13/884046113.db2.gz JBDHGDWYBUIHKF-XARGGIHNSA-N 2 2 423.605 4.154 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000469858784 884046131 /nfs/dbraw/zinc/04/61/31/884046131.db2.gz JBDHGDWYBUIHKF-XARGGIHNSA-N 2 2 423.605 4.154 20 0 HIADLP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2cccs2)CC1 ZINC000469863827 884052364 /nfs/dbraw/zinc/05/23/64/884052364.db2.gz SYJYWSBUGMXJME-XUVXKRRUSA-N 2 2 415.607 4.010 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000470545729 884953835 /nfs/dbraw/zinc/95/38/35/884953835.db2.gz HHYIPEKGQMRGGA-DEOSSOPVSA-N 2 2 420.601 4.201 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000470545729 884953854 /nfs/dbraw/zinc/95/38/54/884953854.db2.gz HHYIPEKGQMRGGA-DEOSSOPVSA-N 2 2 420.601 4.201 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000470545730 884954007 /nfs/dbraw/zinc/95/40/07/884954007.db2.gz HHYIPEKGQMRGGA-XMMPIXPASA-N 2 2 420.601 4.201 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000470545730 884954023 /nfs/dbraw/zinc/95/40/23/884954023.db2.gz HHYIPEKGQMRGGA-XMMPIXPASA-N 2 2 420.601 4.201 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000471220946 885794672 /nfs/dbraw/zinc/79/46/72/885794672.db2.gz QIMJLGJTMMAYJG-OUOWLKGYSA-N 2 2 413.993 4.208 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000471220946 885794681 /nfs/dbraw/zinc/79/46/81/885794681.db2.gz QIMJLGJTMMAYJG-OUOWLKGYSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000471220946 885794700 /nfs/dbraw/zinc/79/47/00/885794700.db2.gz QIMJLGJTMMAYJG-OUOWLKGYSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000471220946 885794714 /nfs/dbraw/zinc/79/47/14/885794714.db2.gz QIMJLGJTMMAYJG-OUOWLKGYSA-N 2 2 413.993 4.208 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471238758 885814567 /nfs/dbraw/zinc/81/45/67/885814567.db2.gz WNWLNJBEEFZHAG-QXWFJRNPSA-N 2 2 411.565 4.036 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471238758 885814568 /nfs/dbraw/zinc/81/45/68/885814568.db2.gz WNWLNJBEEFZHAG-QXWFJRNPSA-N 2 2 411.565 4.036 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471238758 885814570 /nfs/dbraw/zinc/81/45/70/885814570.db2.gz WNWLNJBEEFZHAG-QXWFJRNPSA-N 2 2 411.565 4.036 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471238758 885814582 /nfs/dbraw/zinc/81/45/82/885814582.db2.gz WNWLNJBEEFZHAG-QXWFJRNPSA-N 2 2 411.565 4.036 20 0 HIADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000471412573 886066984 /nfs/dbraw/zinc/06/69/84/886066984.db2.gz IKIPVAZJOIJCCJ-MRXNPFEDSA-N 2 2 412.405 4.163 20 0 HIADLP C[C@H](CCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000472751401 887596892 /nfs/dbraw/zinc/59/68/92/887596892.db2.gz MJGXOTZJYCLYFE-RTWAWAEBSA-N 2 2 424.589 4.112 20 0 HIADLP C[C@H](CCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472751401 887596901 /nfs/dbraw/zinc/59/69/01/887596901.db2.gz MJGXOTZJYCLYFE-RTWAWAEBSA-N 2 2 424.589 4.112 20 0 HIADLP C[C@H](CCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000472751398 887597556 /nfs/dbraw/zinc/59/75/56/887597556.db2.gz MJGXOTZJYCLYFE-NHCUHLMSSA-N 2 2 424.589 4.112 20 0 HIADLP C[C@H](CCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472751398 887597565 /nfs/dbraw/zinc/59/75/65/887597565.db2.gz MJGXOTZJYCLYFE-NHCUHLMSSA-N 2 2 424.589 4.112 20 0 HIADLP O=C1[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCN1c1ccccc1C(F)(F)F ZINC000473048798 887870882 /nfs/dbraw/zinc/87/08/82/887870882.db2.gz JNUNAZFODWQAAJ-HXUWFJFHSA-N 2 2 420.479 4.200 20 0 HIADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000473736843 888516663 /nfs/dbraw/zinc/51/66/63/888516663.db2.gz BWENILKWPUGIAJ-NFBKMPQASA-N 2 2 411.594 4.298 20 0 HIADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000473736843 888516667 /nfs/dbraw/zinc/51/66/67/888516667.db2.gz BWENILKWPUGIAJ-NFBKMPQASA-N 2 2 411.594 4.298 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)C2 ZINC000474203504 889041043 /nfs/dbraw/zinc/04/10/43/889041043.db2.gz IOWGQRFHDWNZFQ-FXAWDEMLSA-N 2 2 414.619 4.289 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)CC2 ZINC000474203504 889041050 /nfs/dbraw/zinc/04/10/50/889041050.db2.gz IOWGQRFHDWNZFQ-FXAWDEMLSA-N 2 2 414.619 4.289 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CCc1ccc(I)cc1)CCC2 ZINC000474805352 889658978 /nfs/dbraw/zinc/65/89/78/889658978.db2.gz CEYROGCLGFTFNA-RHSMWYFYSA-N 2 2 423.342 4.284 20 0 HIADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000474895302 889753461 /nfs/dbraw/zinc/75/34/61/889753461.db2.gz GMMDITFFYCHKGN-OAHLLOKOSA-N 2 2 412.484 4.494 20 0 HIADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000474895302 889753474 /nfs/dbraw/zinc/75/34/74/889753474.db2.gz GMMDITFFYCHKGN-OAHLLOKOSA-N 2 2 412.484 4.494 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[N@@H+]3CCCC[C@@H]3C)cc1)C2 ZINC000474899455 889759263 /nfs/dbraw/zinc/75/92/63/889759263.db2.gz MUUDUJKJWGIPCG-RXVVDRJESA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[N@H+]3CCCC[C@@H]3C)cc1)C2 ZINC000474899455 889759265 /nfs/dbraw/zinc/75/92/65/889759265.db2.gz MUUDUJKJWGIPCG-RXVVDRJESA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[N@@H+]3CCCC[C@@H]3C)cc1)CC2 ZINC000474899455 889759267 /nfs/dbraw/zinc/75/92/67/889759267.db2.gz MUUDUJKJWGIPCG-RXVVDRJESA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[N@H+]3CCCC[C@@H]3C)cc1)CC2 ZINC000474899455 889759279 /nfs/dbraw/zinc/75/92/79/889759279.db2.gz MUUDUJKJWGIPCG-RXVVDRJESA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000474904219 889764301 /nfs/dbraw/zinc/76/43/01/889764301.db2.gz ARAVVMXIRWQLLP-HSALFYBXSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000474904219 889764307 /nfs/dbraw/zinc/76/43/07/889764307.db2.gz ARAVVMXIRWQLLP-HSALFYBXSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000474904219 889764310 /nfs/dbraw/zinc/76/43/10/889764310.db2.gz ARAVVMXIRWQLLP-HSALFYBXSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000474904219 889764319 /nfs/dbraw/zinc/76/43/19/889764319.db2.gz ARAVVMXIRWQLLP-HSALFYBXSA-N 2 2 422.617 4.432 20 0 HIADLP COc1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1OC(C)C ZINC000475329839 890249096 /nfs/dbraw/zinc/24/90/96/890249096.db2.gz CQQQPULTZSCLDS-UHFFFAOYSA-N 2 2 400.485 4.377 20 0 HIADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475337747 890258735 /nfs/dbraw/zinc/25/87/35/890258735.db2.gz VUMNFQPERAFHJY-UHFFFAOYSA-N 2 2 420.523 4.443 20 0 HIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000475561639 890490220 /nfs/dbraw/zinc/49/02/20/890490220.db2.gz LVSYWTHQBUGCCS-AYOQOUSVSA-N 2 2 400.485 4.251 20 0 HIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CO)c3ccccc3OC(F)(F)F)CC2)C1 ZINC000475568419 890499626 /nfs/dbraw/zinc/49/96/26/890499626.db2.gz FWTBQLFUNOQURP-AYBZRNKSSA-N 2 2 400.485 4.251 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475575240 890506238 /nfs/dbraw/zinc/50/62/38/890506238.db2.gz ZKMGPQBQBFRMOU-UHFFFAOYSA-N 2 2 417.395 4.358 20 0 HIADLP c1c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000475580818 890509920 /nfs/dbraw/zinc/50/99/20/890509920.db2.gz LXCBPQIQDWPLLI-UHFFFAOYSA-N 2 2 401.558 4.100 20 0 HIADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476208311 891138344 /nfs/dbraw/zinc/13/83/44/891138344.db2.gz UOVWKXCOKVGKDE-SFTDATJTSA-N 2 2 408.590 4.009 20 0 HIADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476208311 891138348 /nfs/dbraw/zinc/13/83/48/891138348.db2.gz UOVWKXCOKVGKDE-SFTDATJTSA-N 2 2 408.590 4.009 20 0 HIADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476208311 891138358 /nfs/dbraw/zinc/13/83/58/891138358.db2.gz UOVWKXCOKVGKDE-SFTDATJTSA-N 2 2 408.590 4.009 20 0 HIADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476208311 891138366 /nfs/dbraw/zinc/13/83/66/891138366.db2.gz UOVWKXCOKVGKDE-SFTDATJTSA-N 2 2 408.590 4.009 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@]3(C1)CCC[N@H+](Cc1ccccc1)C3)C2 ZINC000476241023 891165273 /nfs/dbraw/zinc/16/52/73/891165273.db2.gz XAYFGFJEGOEVKD-LVXARBLLSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)C2 ZINC000476241023 891165276 /nfs/dbraw/zinc/16/52/76/891165276.db2.gz XAYFGFJEGOEVKD-LVXARBLLSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@]3(C1)CCC[N@H+](Cc1ccccc1)C3)CC2 ZINC000476241023 891165283 /nfs/dbraw/zinc/16/52/83/891165283.db2.gz XAYFGFJEGOEVKD-LVXARBLLSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)CC2 ZINC000476241023 891165287 /nfs/dbraw/zinc/16/52/87/891165287.db2.gz XAYFGFJEGOEVKD-LVXARBLLSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@H]3C)CC1)C2 ZINC000476310253 891220262 /nfs/dbraw/zinc/22/02/62/891220262.db2.gz CLXPPXWWGMGWOS-QUCCMNQESA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)C2 ZINC000476310253 891220279 /nfs/dbraw/zinc/22/02/79/891220279.db2.gz CLXPPXWWGMGWOS-QUCCMNQESA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@H]3C)CC1)CC2 ZINC000476310253 891220299 /nfs/dbraw/zinc/22/02/99/891220299.db2.gz CLXPPXWWGMGWOS-QUCCMNQESA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)CC2 ZINC000476310253 891220317 /nfs/dbraw/zinc/22/03/17/891220317.db2.gz CLXPPXWWGMGWOS-QUCCMNQESA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)C2 ZINC000476367725 891278670 /nfs/dbraw/zinc/27/86/70/891278670.db2.gz YWEFNXPUTRPZLV-LGVFNWMJSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)C2 ZINC000476367725 891278696 /nfs/dbraw/zinc/27/86/96/891278696.db2.gz YWEFNXPUTRPZLV-LGVFNWMJSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)CC2 ZINC000476367725 891278715 /nfs/dbraw/zinc/27/87/15/891278715.db2.gz YWEFNXPUTRPZLV-LGVFNWMJSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)CC2 ZINC000476367725 891278738 /nfs/dbraw/zinc/27/87/38/891278738.db2.gz YWEFNXPUTRPZLV-LGVFNWMJSA-N 2 2 420.601 4.151 20 0 HIADLP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)CC2)cs1 ZINC000478048723 893194614 /nfs/dbraw/zinc/19/46/14/893194614.db2.gz WJRYMWXLICQXQL-UHFFFAOYSA-N 2 2 406.983 4.017 20 0 HIADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000479479668 894803388 /nfs/dbraw/zinc/80/33/88/894803388.db2.gz AMJUQEXJCAGYOQ-ATIQYGATSA-N 2 2 406.496 4.387 20 0 HIADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cnn1-c1ccc(F)cc1 ZINC000479900778 895247297 /nfs/dbraw/zinc/24/72/97/895247297.db2.gz LBIFAYMVNBKKNB-GOSISDBHSA-N 2 2 408.521 4.003 20 0 HIADLP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000480256287 895666643 /nfs/dbraw/zinc/66/66/43/895666643.db2.gz ACENQHLYTYGUPE-ATIYNZHBSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000480256287 895666658 /nfs/dbraw/zinc/66/66/58/895666658.db2.gz ACENQHLYTYGUPE-ATIYNZHBSA-N 3 2 406.618 4.314 20 0 HIADLP COC[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000480527444 895890327 /nfs/dbraw/zinc/89/03/27/895890327.db2.gz MOKVUEQFRPRUTJ-HXUWFJFHSA-N 2 2 403.448 4.470 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000480621960 895989454 /nfs/dbraw/zinc/98/94/54/895989454.db2.gz UQNLPBRDFQTAHE-TVZXLZGTSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000480621960 895989467 /nfs/dbraw/zinc/98/94/67/895989467.db2.gz UQNLPBRDFQTAHE-TVZXLZGTSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000480621960 895989486 /nfs/dbraw/zinc/98/94/86/895989486.db2.gz UQNLPBRDFQTAHE-TVZXLZGTSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000480621960 895989500 /nfs/dbraw/zinc/98/95/00/895989500.db2.gz UQNLPBRDFQTAHE-TVZXLZGTSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480726296 896086364 /nfs/dbraw/zinc/08/63/64/896086364.db2.gz GYTLBTZSTUMSCH-SLYNCCJLSA-N 2 2 418.507 4.179 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480726296 896086379 /nfs/dbraw/zinc/08/63/79/896086379.db2.gz GYTLBTZSTUMSCH-SLYNCCJLSA-N 2 2 418.507 4.179 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cc3)cc2)CC1 ZINC000480774680 896138042 /nfs/dbraw/zinc/13/80/42/896138042.db2.gz IKSXSUDPNIBZGE-VWLOTQADSA-N 2 2 417.528 4.093 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000481005634 896335830 /nfs/dbraw/zinc/33/58/30/896335830.db2.gz FSNOLUOMDDBEPL-XZOQPEGZSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000481005634 896335849 /nfs/dbraw/zinc/33/58/49/896335849.db2.gz FSNOLUOMDDBEPL-XZOQPEGZSA-N 2 2 400.611 4.358 20 0 HIADLP Clc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481192477 896543373 /nfs/dbraw/zinc/54/33/73/896543373.db2.gz QAWVLMZSMJVKMH-OAQYLSRUSA-N 2 2 416.949 4.055 20 0 HIADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000481246762 896598535 /nfs/dbraw/zinc/59/85/35/896598535.db2.gz QZKHPPCGFPNCLA-GOSISDBHSA-N 2 2 421.372 4.144 20 0 HIADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1Br ZINC000481312412 896660378 /nfs/dbraw/zinc/66/03/78/896660378.db2.gz IHFRNSAUXWGSIG-INIZCTEOSA-N 2 2 419.363 4.141 20 0 HIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481410822 896815992 /nfs/dbraw/zinc/81/59/92/896815992.db2.gz YONPHNAGZQCBMU-GOSISDBHSA-N 2 2 418.965 4.301 20 0 HIADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000481416887 896820896 /nfs/dbraw/zinc/82/08/96/896820896.db2.gz VDVWJTZTCUEUIP-KXBFYZLASA-N 2 2 408.384 4.020 20 0 HIADLP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000481724810 897119676 /nfs/dbraw/zinc/11/96/76/897119676.db2.gz IBWDFWBDFWOUCV-FQEVSTJZSA-N 3 2 404.558 4.444 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481731781 897125861 /nfs/dbraw/zinc/12/58/61/897125861.db2.gz DNDZBKDJBBYZAY-GJZUVCINSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481731781 897125868 /nfs/dbraw/zinc/12/58/68/897125868.db2.gz DNDZBKDJBBYZAY-GJZUVCINSA-N 3 2 406.618 4.458 20 0 HIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000482147706 897608900 /nfs/dbraw/zinc/60/89/00/897608900.db2.gz RKOABYMGUJZYPM-NFBKMPQASA-N 2 2 409.574 4.019 20 0 HIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000482147706 897608906 /nfs/dbraw/zinc/60/89/06/897608906.db2.gz RKOABYMGUJZYPM-NFBKMPQASA-N 2 2 409.574 4.019 20 0 HIADLP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000482431735 897987584 /nfs/dbraw/zinc/98/75/84/897987584.db2.gz DEYWWCKVYXFFGN-NZQKXSOJSA-N 2 2 403.574 4.099 20 0 HIADLP Cc1c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000482431735 897987596 /nfs/dbraw/zinc/98/75/96/897987596.db2.gz DEYWWCKVYXFFGN-NZQKXSOJSA-N 2 2 403.574 4.099 20 0 HIADLP Cc1ccc2[nH+]cc(CNc3cc(NC(=O)C[N@H+]4CCCC[C@@H]4C)ccc3F)n2c1 ZINC000482600925 898203673 /nfs/dbraw/zinc/20/36/73/898203673.db2.gz DUMCSLSQOZBHNN-KRWDZBQOSA-N 2 2 409.509 4.207 20 0 HIADLP Cc1ccc2[nH+]cc(CNc3cc(NC(=O)C[N@@H+]4CCCC[C@@H]4C)ccc3F)n2c1 ZINC000482600925 898203686 /nfs/dbraw/zinc/20/36/86/898203686.db2.gz DUMCSLSQOZBHNN-KRWDZBQOSA-N 2 2 409.509 4.207 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000482784281 898392139 /nfs/dbraw/zinc/39/21/39/898392139.db2.gz AFQZFGBMVUAISR-QAPCUYQASA-N 2 2 405.384 4.331 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000482784281 898392151 /nfs/dbraw/zinc/39/21/51/898392151.db2.gz AFQZFGBMVUAISR-QAPCUYQASA-N 2 2 405.384 4.331 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2Br)[C@H](C)C1 ZINC000483131794 898814099 /nfs/dbraw/zinc/81/40/99/898814099.db2.gz RKCVKLTYNOMVPP-VCBZYWHSSA-N 2 2 401.364 4.376 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2Br)[C@H](C)C1 ZINC000483131794 898814109 /nfs/dbraw/zinc/81/41/09/898814109.db2.gz RKCVKLTYNOMVPP-VCBZYWHSSA-N 2 2 401.364 4.376 20 0 HIADLP C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000505580460 914287724 /nfs/dbraw/zinc/28/77/24/914287724.db2.gz GQTGZYXWGQUTPO-QTGUNEKASA-N 2 2 408.590 4.301 20 0 HIADLP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000483292705 898926630 /nfs/dbraw/zinc/92/66/30/898926630.db2.gz FEUQVNGALGFXHT-UHFFFAOYSA-N 2 2 409.821 4.487 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)C3CCCC3)cc1)CCC2 ZINC000483447133 899082492 /nfs/dbraw/zinc/08/24/92/899082492.db2.gz ZPWSRQNRIVLKHQ-MJGOQNOKSA-N 2 2 401.576 4.136 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000483596036 899247561 /nfs/dbraw/zinc/24/75/61/899247561.db2.gz BYLZQNBQROZJFB-UHFFFAOYSA-N 2 2 400.486 4.005 20 0 HIADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)s2)cc1OC ZINC000483726649 899387461 /nfs/dbraw/zinc/38/74/61/899387461.db2.gz NVBKMXDYSQTUKM-MPGHIAIKSA-N 2 2 403.592 4.193 20 0 HIADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cc1OC ZINC000483726649 899387476 /nfs/dbraw/zinc/38/74/76/899387476.db2.gz NVBKMXDYSQTUKM-MPGHIAIKSA-N 2 2 403.592 4.193 20 0 HIADLP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1OCC(=O)N(C)C ZINC000483816104 899494537 /nfs/dbraw/zinc/49/45/37/899494537.db2.gz DMBSNGYKMYTMJZ-AVRDEDQJSA-N 2 2 406.530 4.141 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1OC(F)(F)F ZINC000484126366 899748912 /nfs/dbraw/zinc/74/89/12/899748912.db2.gz FEGSCRNTBFZOAK-XKGZKEIXSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1OC(F)(F)F ZINC000484126366 899748921 /nfs/dbraw/zinc/74/89/21/899748921.db2.gz FEGSCRNTBFZOAK-XKGZKEIXSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CCCC1)c1ccccc1 ZINC000484134278 899755718 /nfs/dbraw/zinc/75/57/18/899755718.db2.gz PPTOUJACSOQXMY-RBUKOAKNSA-N 2 2 415.603 4.372 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)c(Br)c1 ZINC000484138519 899759662 /nfs/dbraw/zinc/75/96/62/899759662.db2.gz WECFDTGDBRDMER-UQASEVPWSA-N 2 2 421.354 4.122 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)c(Br)c1 ZINC000484138519 899759666 /nfs/dbraw/zinc/75/96/66/899759666.db2.gz WECFDTGDBRDMER-UQASEVPWSA-N 2 2 421.354 4.122 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000484156112 899777100 /nfs/dbraw/zinc/77/71/00/899777100.db2.gz BYQXYGMPWZTAIN-IOMROCGXSA-N 2 2 402.991 4.350 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000484156112 899777101 /nfs/dbraw/zinc/77/71/01/899777101.db2.gz BYQXYGMPWZTAIN-IOMROCGXSA-N 2 2 402.991 4.350 20 0 HIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1Br ZINC000484489782 899981022 /nfs/dbraw/zinc/98/10/22/899981022.db2.gz PEGIOSWFHHMMGZ-SQGPQFPESA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1Br ZINC000484489782 899981032 /nfs/dbraw/zinc/98/10/32/899981032.db2.gz PEGIOSWFHHMMGZ-SQGPQFPESA-N 2 2 418.379 4.112 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000485910297 901137040 /nfs/dbraw/zinc/13/70/40/901137040.db2.gz ZSGIXUHOUFNKHT-UHFFFAOYSA-N 2 2 420.601 4.446 20 0 HIADLP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000486226564 901410377 /nfs/dbraw/zinc/41/03/77/901410377.db2.gz MHBLJXFGWCSZGP-UHFFFAOYSA-N 2 2 420.384 4.449 20 0 HIADLP CC(C)[NH+]1CCC([NH+](C)Cc2cccc(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000487029500 902028027 /nfs/dbraw/zinc/02/80/27/902028027.db2.gz QFWJLXBYUBATKD-UHFFFAOYSA-N 4 2 414.682 4.296 20 0 HIADLP CC(C)[NH+]1CCC([NH+](C)Cc2cccc(C[N@H+](C)C3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000487029500 902028040 /nfs/dbraw/zinc/02/80/40/902028040.db2.gz QFWJLXBYUBATKD-UHFFFAOYSA-N 4 2 414.682 4.296 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N(CC[NH+]3CCCCCC3)C3CCC3)c2)cc[nH+]1 ZINC000488883786 903057211 /nfs/dbraw/zinc/05/72/11/903057211.db2.gz XEBKXRGJZXOVOV-UHFFFAOYSA-N 2 2 421.589 4.268 20 0 HIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnc2c(C)cccn12 ZINC000506013724 914688404 /nfs/dbraw/zinc/68/84/04/914688404.db2.gz ZAYPOLRWNICDJD-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc2c(C)cccn12 ZINC000506013724 914688414 /nfs/dbraw/zinc/68/84/14/914688414.db2.gz ZAYPOLRWNICDJD-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489284344 903307572 /nfs/dbraw/zinc/30/75/72/903307572.db2.gz AELODTKHFDOHEJ-UHFFFAOYSA-N 2 2 400.954 4.302 20 0 HIADLP CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489284344 903307580 /nfs/dbraw/zinc/30/75/80/903307580.db2.gz AELODTKHFDOHEJ-UHFFFAOYSA-N 2 2 400.954 4.302 20 0 HIADLP c1ccc2c(c1)[nH]c1c2C[NH+](CCOCC[N@@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000489601442 903490090 /nfs/dbraw/zinc/49/00/90/903490090.db2.gz BBPMSSCDPNHXAE-UHFFFAOYSA-N 2 2 414.553 4.082 20 0 HIADLP c1ccc2c(c1)[nH]c1c2C[NH+](CCOCC[N@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000489601442 903490092 /nfs/dbraw/zinc/49/00/92/903490092.db2.gz BBPMSSCDPNHXAE-UHFFFAOYSA-N 2 2 414.553 4.082 20 0 HIADLP CSc1cccc([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2cc(F)ccc2F)c1 ZINC000491036726 904389224 /nfs/dbraw/zinc/38/92/24/904389224.db2.gz ZFZHGITYTADRPI-AOMKIAJQSA-N 2 2 405.558 4.002 20 0 HIADLP O=C([C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1)N1CCCCC1 ZINC000493885063 905245077 /nfs/dbraw/zinc/24/50/77/905245077.db2.gz FICIBEKGKCEJRL-NFBKMPQASA-N 2 2 411.615 4.304 20 0 HIADLP O=C([C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1)N1CCCCC1 ZINC000493885063 905245093 /nfs/dbraw/zinc/24/50/93/905245093.db2.gz FICIBEKGKCEJRL-NFBKMPQASA-N 2 2 411.615 4.304 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Br)cs1 ZINC000493914448 905265436 /nfs/dbraw/zinc/26/54/36/905265436.db2.gz AEBVQFXBGDMCSB-LESCRADOSA-N 2 2 409.393 4.044 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Br)cs1 ZINC000493914448 905265458 /nfs/dbraw/zinc/26/54/58/905265458.db2.gz AEBVQFXBGDMCSB-LESCRADOSA-N 2 2 409.393 4.044 20 0 HIADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2ccc(F)cc2)cc1 ZINC000493989382 905332864 /nfs/dbraw/zinc/33/28/64/905332864.db2.gz KVEDULDBEFEGMX-ISJGIBHGSA-N 2 2 412.549 4.281 20 0 HIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000512410649 921142500 /nfs/dbraw/zinc/14/25/00/921142500.db2.gz KNLFOBTWPPWHRL-UHFFFAOYSA-N 2 2 402.538 4.484 20 0 HIADLP CCOc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OCCOc1cccc(C)c1 ZINC000494411406 905700107 /nfs/dbraw/zinc/70/01/07/905700107.db2.gz IVWYCNXBAPONHX-OAQYLSRUSA-N 2 2 421.541 4.153 20 0 HIADLP CCSc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000495757735 906544206 /nfs/dbraw/zinc/54/42/06/906544206.db2.gz OCUCTPNWVZVGGY-FCHUYYIVSA-N 2 2 403.636 4.208 20 0 HIADLP CCSc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000495757735 906544219 /nfs/dbraw/zinc/54/42/19/906544219.db2.gz OCUCTPNWVZVGGY-FCHUYYIVSA-N 2 2 403.636 4.208 20 0 HIADLP CN(C(=O)c1cc(F)c(Cl)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000495757685 906544450 /nfs/dbraw/zinc/54/44/50/906544450.db2.gz NCIBBTCGYSMADA-UXHICEINSA-N 2 2 413.940 4.027 20 0 HIADLP CN(C(=O)c1cc(F)c(Cl)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495757685 906544460 /nfs/dbraw/zinc/54/44/60/906544460.db2.gz NCIBBTCGYSMADA-UXHICEINSA-N 2 2 413.940 4.027 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000495818806 906554439 /nfs/dbraw/zinc/55/44/39/906554439.db2.gz DXAAZSXDDCQPJB-HSZRJFAPSA-N 2 2 411.615 4.004 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000495818806 906554444 /nfs/dbraw/zinc/55/44/44/906554444.db2.gz DXAAZSXDDCQPJB-HSZRJFAPSA-N 2 2 411.615 4.004 20 0 HIADLP COc1cccc([C@@H]2CCC[NH+]2CC(O)C[N@H+]2CCC[C@H]2c2cccc(OC)c2)c1 ZINC000497758085 907249765 /nfs/dbraw/zinc/24/97/65/907249765.db2.gz IWXNHCVXURJAFK-DQEYMECFSA-N 2 2 410.558 4.039 20 0 HIADLP COc1cccc([C@@H]2CCC[NH+]2CC(O)C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)c1 ZINC000497758085 907249789 /nfs/dbraw/zinc/24/97/89/907249789.db2.gz IWXNHCVXURJAFK-DQEYMECFSA-N 2 2 410.558 4.039 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)CCO1 ZINC000499144128 908502115 /nfs/dbraw/zinc/50/21/15/908502115.db2.gz VHMHWWXCJUXDFL-ORZNUPDKSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)CCO1 ZINC000499144128 908502126 /nfs/dbraw/zinc/50/21/26/908502126.db2.gz VHMHWWXCJUXDFL-ORZNUPDKSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)CCO1 ZINC000499144128 908502140 /nfs/dbraw/zinc/50/21/40/908502140.db2.gz VHMHWWXCJUXDFL-ORZNUPDKSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)CCO1 ZINC000499144128 908502149 /nfs/dbraw/zinc/50/21/49/908502149.db2.gz VHMHWWXCJUXDFL-ORZNUPDKSA-N 3 2 419.613 4.193 20 0 HIADLP CSCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC000499145739 908503826 /nfs/dbraw/zinc/50/38/26/908503826.db2.gz IBQHQJQWQBLUSO-YUMYIRISSA-N 2 2 421.614 4.309 20 0 HIADLP CSCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC000499145739 908503838 /nfs/dbraw/zinc/50/38/38/908503838.db2.gz IBQHQJQWQBLUSO-YUMYIRISSA-N 2 2 421.614 4.309 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000499176988 908531440 /nfs/dbraw/zinc/53/14/40/908531440.db2.gz NTYQMBOTTLMKCN-FSAHKVHBSA-N 2 2 404.602 4.392 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499176988 908531451 /nfs/dbraw/zinc/53/14/51/908531451.db2.gz NTYQMBOTTLMKCN-FSAHKVHBSA-N 2 2 404.602 4.392 20 0 HIADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccco1 ZINC000500113759 909596287 /nfs/dbraw/zinc/59/62/87/909596287.db2.gz PVFBQWYWYLMJRN-BVSLBCMMSA-N 2 2 423.561 4.263 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501364205 910493814 /nfs/dbraw/zinc/49/38/14/910493814.db2.gz HRXAEGOYNFHQLY-LOSJGSFVSA-N 2 2 414.553 4.058 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000501364205 910493832 /nfs/dbraw/zinc/49/38/32/910493832.db2.gz HRXAEGOYNFHQLY-LOSJGSFVSA-N 2 2 414.553 4.058 20 0 HIADLP Fc1ccc(Br)c(F)c1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000501446202 910571198 /nfs/dbraw/zinc/57/11/98/910571198.db2.gz BPCJZGGBWHSVRA-UHFFFAOYSA-N 2 2 406.274 4.304 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000501574726 910681188 /nfs/dbraw/zinc/68/11/88/910681188.db2.gz HBBNQCIDYZKSGP-PMACEKPBSA-N 2 2 416.610 4.072 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000501574726 910681214 /nfs/dbraw/zinc/68/12/14/910681214.db2.gz HBBNQCIDYZKSGP-PMACEKPBSA-N 2 2 416.610 4.072 20 0 HIADLP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501959581 910945082 /nfs/dbraw/zinc/94/50/82/910945082.db2.gz QUZGXVVAAGIHPU-HYBUGGRVSA-N 2 2 402.542 4.229 20 0 HIADLP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501959581 910945099 /nfs/dbraw/zinc/94/50/99/910945099.db2.gz QUZGXVVAAGIHPU-HYBUGGRVSA-N 2 2 402.542 4.229 20 0 HIADLP Brc1cc2c(cc1C[N@@H+]1CCC[C@H](c3[nH+]cc4n3CCCC4)C1)OCO2 ZINC000502323617 911300143 /nfs/dbraw/zinc/30/01/43/911300143.db2.gz XLJLSOVPSDVXRE-AWEZNQCLSA-N 2 2 418.335 4.090 20 0 HIADLP Brc1cc2c(cc1C[N@H+]1CCC[C@H](c3[nH+]cc4n3CCCC4)C1)OCO2 ZINC000502323617 911300165 /nfs/dbraw/zinc/30/01/65/911300165.db2.gz XLJLSOVPSDVXRE-AWEZNQCLSA-N 2 2 418.335 4.090 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000502858213 911866693 /nfs/dbraw/zinc/86/66/93/911866693.db2.gz HUYSAGVZOHCWAC-NJYVYQBISA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000502858213 911866695 /nfs/dbraw/zinc/86/66/95/911866695.db2.gz HUYSAGVZOHCWAC-NJYVYQBISA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000502858213 911866699 /nfs/dbraw/zinc/86/66/99/911866699.db2.gz HUYSAGVZOHCWAC-NJYVYQBISA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000502858213 911866708 /nfs/dbraw/zinc/86/67/08/911866708.db2.gz HUYSAGVZOHCWAC-NJYVYQBISA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503070263 912037156 /nfs/dbraw/zinc/03/71/56/912037156.db2.gz AYEOIONVYFGHMK-XPGWFJOJSA-N 2 2 421.372 4.437 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503070263 912037178 /nfs/dbraw/zinc/03/71/78/912037178.db2.gz AYEOIONVYFGHMK-XPGWFJOJSA-N 2 2 421.372 4.437 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503070789 912038374 /nfs/dbraw/zinc/03/83/74/912038374.db2.gz DHCDBCVTCPMJCI-PTUXOGIPSA-N 2 2 408.590 4.427 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503070789 912038383 /nfs/dbraw/zinc/03/83/83/912038383.db2.gz DHCDBCVTCPMJCI-PTUXOGIPSA-N 2 2 408.590 4.427 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503073951 912039588 /nfs/dbraw/zinc/03/95/88/912039588.db2.gz JCCCSUGBNIWAIT-ZHRMCQFGSA-N 2 2 420.582 4.002 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503073951 912039607 /nfs/dbraw/zinc/03/96/07/912039607.db2.gz JCCCSUGBNIWAIT-ZHRMCQFGSA-N 2 2 420.582 4.002 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503074879 912042796 /nfs/dbraw/zinc/04/27/96/912042796.db2.gz SXHDYTHSHAKENS-PXDATVDWSA-N 2 2 416.569 4.104 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503074879 912042812 /nfs/dbraw/zinc/04/28/12/912042812.db2.gz SXHDYTHSHAKENS-PXDATVDWSA-N 2 2 416.569 4.104 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000503075857 912046312 /nfs/dbraw/zinc/04/63/12/912046312.db2.gz RLBPUVRWGBHLDT-XLPNERPQSA-N 2 2 409.361 4.339 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000503075857 912046332 /nfs/dbraw/zinc/04/63/32/912046332.db2.gz RLBPUVRWGBHLDT-XLPNERPQSA-N 2 2 409.361 4.339 20 0 HIADLP CCOc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)cc(Br)c1OC(F)F ZINC000506647365 915315949 /nfs/dbraw/zinc/31/59/49/915315949.db2.gz VPCOHADRWAPPIE-UHFFFAOYSA-N 2 2 421.326 4.365 20 0 HIADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc(Br)c1OC(F)F ZINC000506647365 915315969 /nfs/dbraw/zinc/31/59/69/915315969.db2.gz VPCOHADRWAPPIE-UHFFFAOYSA-N 2 2 421.326 4.365 20 0 HIADLP CC(=O)N(c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1)c1ccc(Cl)cc1 ZINC000506878402 915669958 /nfs/dbraw/zinc/66/99/58/915669958.db2.gz YTNFEVJCSUBHIZ-UHFFFAOYSA-N 2 2 406.983 4.255 20 0 HIADLP Brc1ccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCOCC2)cc1 ZINC000506918072 915718854 /nfs/dbraw/zinc/71/88/54/915718854.db2.gz QSZUOPFDAMODHH-UHFFFAOYSA-N 2 2 412.331 4.430 20 0 HIADLP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506939334 915743634 /nfs/dbraw/zinc/74/36/34/915743634.db2.gz YWJPOYOSPJDHCM-KRWDZBQOSA-N 2 2 401.551 4.006 20 0 HIADLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506939334 915743649 /nfs/dbraw/zinc/74/36/49/915743649.db2.gz YWJPOYOSPJDHCM-KRWDZBQOSA-N 2 2 401.551 4.006 20 0 HIADLP CCC(CC)[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[NH+]1CCCC1 ZINC000507090452 915863684 /nfs/dbraw/zinc/86/36/84/915863684.db2.gz YMTBSEXBCFZLQM-UNMCSNQZSA-N 2 2 415.626 4.009 20 0 HIADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000507749774 916539373 /nfs/dbraw/zinc/53/93/73/916539373.db2.gz TZTPOKZNRMWUFI-SFHVURJKSA-N 2 2 414.431 4.107 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCc4c3cc(Cl)cc4Cl)cc2)CC1 ZINC000507813736 916607230 /nfs/dbraw/zinc/60/72/30/916607230.db2.gz SPJTXGPVKFDRIQ-NRFANRHFSA-N 2 2 418.368 4.158 20 0 HIADLP CCCCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)c1ccccc1 ZINC000508566806 917341807 /nfs/dbraw/zinc/34/18/07/917341807.db2.gz FSPOUHZJCVXFOC-FQEVSTJZSA-N 2 2 400.611 4.118 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000508672747 917437759 /nfs/dbraw/zinc/43/77/59/917437759.db2.gz WCBSZVZRKVTDNY-ZDUSSCGKSA-N 2 2 414.294 4.239 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000508672747 917437765 /nfs/dbraw/zinc/43/77/65/917437765.db2.gz WCBSZVZRKVTDNY-ZDUSSCGKSA-N 2 2 414.294 4.239 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508857339 917611880 /nfs/dbraw/zinc/61/18/80/917611880.db2.gz WWYCTJWVOGNULM-RDPSFJRHSA-N 2 2 423.605 4.021 20 0 HIADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+](C)C ZINC000508896172 917650863 /nfs/dbraw/zinc/65/08/63/917650863.db2.gz HVKBYSQADOKGIT-CVDCTZTESA-N 2 2 423.605 4.108 20 0 HIADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[NH+](C)C ZINC000508897781 917652905 /nfs/dbraw/zinc/65/29/05/917652905.db2.gz KIPLILXNRGTOSW-VIZSFHNOSA-N 2 2 423.605 4.108 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000510524804 918970679 /nfs/dbraw/zinc/97/06/79/918970679.db2.gz QVQIEVIWUUXJBA-INIZCTEOSA-N 2 2 414.351 4.354 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000510524804 918970691 /nfs/dbraw/zinc/97/06/91/918970691.db2.gz QVQIEVIWUUXJBA-INIZCTEOSA-N 2 2 414.351 4.354 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000510644259 919084073 /nfs/dbraw/zinc/08/40/73/919084073.db2.gz HXEOYSKDEHHYEP-DPLHUUCSSA-N 2 2 423.605 4.193 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000510644259 919084096 /nfs/dbraw/zinc/08/40/96/919084096.db2.gz HXEOYSKDEHHYEP-DPLHUUCSSA-N 2 2 423.605 4.193 20 0 HIADLP CC(=O)N(c1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1)c1ccc(F)cc1 ZINC000511528142 920148856 /nfs/dbraw/zinc/14/88/56/920148856.db2.gz ZNCHZSLHROAGDU-UHFFFAOYSA-N 2 2 404.555 4.131 20 0 HIADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000511614353 920267436 /nfs/dbraw/zinc/26/74/36/920267436.db2.gz QFOCUVILNWVLAZ-FQEVSTJZSA-N 2 2 411.512 4.221 20 0 HIADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000511614353 920267454 /nfs/dbraw/zinc/26/74/54/920267454.db2.gz QFOCUVILNWVLAZ-FQEVSTJZSA-N 2 2 411.512 4.221 20 0 HIADLP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847265 920567919 /nfs/dbraw/zinc/56/79/19/920567919.db2.gz PYUYXLHABJHWDZ-LEWJYISDSA-N 2 2 419.491 4.089 20 0 HIADLP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847265 920567936 /nfs/dbraw/zinc/56/79/36/920567936.db2.gz PYUYXLHABJHWDZ-LEWJYISDSA-N 2 2 419.491 4.089 20 0 HIADLP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847265 920567953 /nfs/dbraw/zinc/56/79/53/920567953.db2.gz PYUYXLHABJHWDZ-LEWJYISDSA-N 2 2 419.491 4.089 20 0 HIADLP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847265 920567973 /nfs/dbraw/zinc/56/79/73/920567973.db2.gz PYUYXLHABJHWDZ-LEWJYISDSA-N 2 2 419.491 4.089 20 0 HIADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000512007194 920777192 /nfs/dbraw/zinc/77/71/92/920777192.db2.gz IRHVMNCLDXNBHW-SJCJKPOMSA-N 2 2 423.932 4.103 20 0 HIADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3ncc(C[NH+](C)C)s3)s2)cc1 ZINC000512058277 920827071 /nfs/dbraw/zinc/82/70/71/920827071.db2.gz NHBMGVAYGKAYAJ-CYBMUJFWSA-N 2 2 402.589 4.496 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512257776 921016535 /nfs/dbraw/zinc/01/65/35/921016535.db2.gz DAHUZKFTQJEFOT-KJWPAHLWSA-N 2 2 423.626 4.398 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512257776 921016548 /nfs/dbraw/zinc/01/65/48/921016548.db2.gz DAHUZKFTQJEFOT-KJWPAHLWSA-N 2 2 423.626 4.398 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512257776 921016565 /nfs/dbraw/zinc/01/65/65/921016565.db2.gz DAHUZKFTQJEFOT-KJWPAHLWSA-N 2 2 423.626 4.398 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512257776 921016581 /nfs/dbraw/zinc/01/65/81/921016581.db2.gz DAHUZKFTQJEFOT-KJWPAHLWSA-N 2 2 423.626 4.398 20 0 HIADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000514088211 922412498 /nfs/dbraw/zinc/41/24/98/922412498.db2.gz KPAMTCITUXHXNC-RUZDIDTESA-N 2 2 412.537 4.451 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)n2)cc1 ZINC000515162753 922963144 /nfs/dbraw/zinc/96/31/44/922963144.db2.gz NYJZXSZPWKBFRK-NYVOZVTQSA-N 2 2 418.541 4.260 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)n2)cc1 ZINC000515162753 922963156 /nfs/dbraw/zinc/96/31/56/922963156.db2.gz NYJZXSZPWKBFRK-NYVOZVTQSA-N 2 2 418.541 4.260 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)n2)cc1 ZINC000515162753 922963175 /nfs/dbraw/zinc/96/31/75/922963175.db2.gz NYJZXSZPWKBFRK-NYVOZVTQSA-N 2 2 418.541 4.260 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)n2)cc1 ZINC000515162753 922963191 /nfs/dbraw/zinc/96/31/91/922963191.db2.gz NYJZXSZPWKBFRK-NYVOZVTQSA-N 2 2 418.541 4.260 20 0 HIADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3csc(Cl)c3Cl)CC2)C[C@H](C)O1 ZINC000516997781 923960852 /nfs/dbraw/zinc/96/08/52/923960852.db2.gz MBWJQWKOXSVTJL-KBPBESRZSA-N 2 2 407.407 4.145 20 0 HIADLP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000517537298 924252417 /nfs/dbraw/zinc/25/24/17/924252417.db2.gz PAEDGHQIQJMYKX-UHFFFAOYSA-N 2 2 407.602 4.435 20 0 HIADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 ZINC000518272792 927130623 /nfs/dbraw/zinc/13/06/23/927130623.db2.gz PSYHTYGINRRAOE-VXKWHMMOSA-N 2 2 418.585 4.187 20 0 HIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000518623182 927385081 /nfs/dbraw/zinc/38/50/81/927385081.db2.gz XISFYRBEPHGDKR-INIZCTEOSA-N 2 2 413.363 4.412 20 0 HIADLP CC(C)[C@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[NH+]1CCCCC1 ZINC000519084394 927759388 /nfs/dbraw/zinc/75/93/88/927759388.db2.gz YPGSLMDAMMEDDX-OAQYLSRUSA-N 2 2 412.603 4.150 20 0 HIADLP CC(C)[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[NH+]1CCCCC1 ZINC000519084394 927759407 /nfs/dbraw/zinc/75/94/07/927759407.db2.gz YPGSLMDAMMEDDX-OAQYLSRUSA-N 2 2 412.603 4.150 20 0 HIADLP CCc1ccc([C@@H](CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)[NH+](C)C)cc1 ZINC000519199226 927823422 /nfs/dbraw/zinc/82/34/22/927823422.db2.gz SXTYPRAVDIQBTM-YADARESESA-N 2 2 424.589 4.067 20 0 HIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000520207884 928389804 /nfs/dbraw/zinc/38/98/04/928389804.db2.gz PBKWNQQIDTYPEO-INIZCTEOSA-N 2 2 400.320 4.403 20 0 HIADLP CC(C)CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000520579697 928651760 /nfs/dbraw/zinc/65/17/60/928651760.db2.gz IWZUHLBLLBARAZ-QFIPXVFZSA-N 2 2 423.045 4.485 20 0 HIADLP CC(C)CC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000520579697 928651766 /nfs/dbraw/zinc/65/17/66/928651766.db2.gz IWZUHLBLLBARAZ-QFIPXVFZSA-N 2 2 423.045 4.485 20 0 HIADLP C[C@H](c1cccc(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000524635042 929745356 /nfs/dbraw/zinc/74/53/56/929745356.db2.gz ZLNUUXYCOZVAAJ-VQTJNVASSA-N 2 2 424.589 4.331 20 0 HIADLP CC[N@H+](C)[C@H](C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)c1ccccc1 ZINC000525098176 930034090 /nfs/dbraw/zinc/03/40/90/930034090.db2.gz QGOVHFLKJGLHFL-DEOSSOPVSA-N 2 2 405.542 4.221 20 0 HIADLP CC[N@@H+](C)[C@H](C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)c1ccccc1 ZINC000525098176 930034096 /nfs/dbraw/zinc/03/40/96/930034096.db2.gz QGOVHFLKJGLHFL-DEOSSOPVSA-N 2 2 405.542 4.221 20 0 HIADLP CC[NH+](C)[C@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000525098176 930034102 /nfs/dbraw/zinc/03/41/02/930034102.db2.gz QGOVHFLKJGLHFL-DEOSSOPVSA-N 2 2 405.542 4.221 20 0 HIADLP CC[NH+](C)[C@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000525098176 930034112 /nfs/dbraw/zinc/03/41/12/930034112.db2.gz QGOVHFLKJGLHFL-DEOSSOPVSA-N 2 2 405.542 4.221 20 0 HIADLP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000525820793 930456689 /nfs/dbraw/zinc/45/66/89/930456689.db2.gz CGBDZMXZXRPSQZ-DQEYMECFSA-N 2 2 421.585 4.116 20 0 HIADLP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000525820793 930456694 /nfs/dbraw/zinc/45/66/94/930456694.db2.gz CGBDZMXZXRPSQZ-DQEYMECFSA-N 2 2 421.585 4.116 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000531188855 930958625 /nfs/dbraw/zinc/95/86/25/930958625.db2.gz NVZOFKDVIJWRJY-LBPRGKRZSA-N 2 2 400.832 4.219 20 0 HIADLP C[C@@H]([NH2+][C@H](C)c1c(F)cccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000531204591 930965069 /nfs/dbraw/zinc/96/50/69/930965069.db2.gz KCYABKRUOMFIBY-IAGOWNOFSA-N 2 2 417.956 4.299 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000531285124 931000573 /nfs/dbraw/zinc/00/05/73/931000573.db2.gz DAWDGTZFCYYMCJ-DNVCBOLYSA-N 2 2 410.484 4.046 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(Cl)cc1 ZINC000531315209 931013833 /nfs/dbraw/zinc/01/38/33/931013833.db2.gz NTHOXVIYPMUDDP-SFHVURJKSA-N 2 2 421.998 4.207 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000531427116 931052539 /nfs/dbraw/zinc/05/25/39/931052539.db2.gz NQNMCURNADSJGL-GFCCVEGCSA-N 2 2 400.832 4.219 20 0 HIADLP COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000531536104 931095984 /nfs/dbraw/zinc/09/59/84/931095984.db2.gz CVSVZVNOLQHLPV-UHFFFAOYSA-N 2 2 402.538 4.484 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000531695384 931158159 /nfs/dbraw/zinc/15/81/59/931158159.db2.gz PVKMWUWVKHNIJI-WOJBJXKFSA-N 3 2 404.558 4.252 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000531695384 931158168 /nfs/dbraw/zinc/15/81/68/931158168.db2.gz PVKMWUWVKHNIJI-WOJBJXKFSA-N 3 2 404.558 4.252 20 0 HIADLP Fc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c2ncccc12 ZINC000531837463 931214742 /nfs/dbraw/zinc/21/47/42/931214742.db2.gz XBCIPXQYPHSILT-UHFFFAOYSA-N 2 2 406.549 4.062 20 0 HIADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1sccc1Br ZINC000531965609 931268635 /nfs/dbraw/zinc/26/86/35/931268635.db2.gz FBBAZDYNXWETSN-QAPCUYQASA-N 2 2 408.409 4.150 20 0 HIADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000532207348 931351289 /nfs/dbraw/zinc/35/12/89/931351289.db2.gz AMKWGSBBWGSPAP-MRXNPFEDSA-N 2 2 414.912 4.192 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000532212108 931354830 /nfs/dbraw/zinc/35/48/30/931354830.db2.gz XLZOKPXRIPEYLN-CJFMBICVSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000532212108 931354836 /nfs/dbraw/zinc/35/48/36/931354836.db2.gz XLZOKPXRIPEYLN-CJFMBICVSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCCn1cc[nH+]c1 ZINC000532479769 931454497 /nfs/dbraw/zinc/45/44/97/931454497.db2.gz LRLSMNMNXPRUPX-ZDUSSCGKSA-N 2 2 402.848 4.342 20 0 HIADLP CC[N@H+](CCC(=O)Nc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533072949 931763532 /nfs/dbraw/zinc/76/35/32/931763532.db2.gz FQUIGWKZXFNZID-UHFFFAOYSA-N 2 2 409.578 4.228 20 0 HIADLP CC[N@@H+](CCC(=O)Nc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533072949 931763539 /nfs/dbraw/zinc/76/35/39/931763539.db2.gz FQUIGWKZXFNZID-UHFFFAOYSA-N 2 2 409.578 4.228 20 0 HIADLP C[C@H](c1cccc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000533137873 931779394 /nfs/dbraw/zinc/77/93/94/931779394.db2.gz GUKQOHLFCUVXRS-HXUWFJFHSA-N 2 2 424.589 4.112 20 0 HIADLP C[C@H](c1cccc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000533137873 931779402 /nfs/dbraw/zinc/77/94/02/931779402.db2.gz GUKQOHLFCUVXRS-HXUWFJFHSA-N 2 2 424.589 4.112 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000533485069 931881795 /nfs/dbraw/zinc/88/17/95/931881795.db2.gz MMFICZDQTIESLB-DVECYGJZSA-N 2 2 407.558 4.203 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000533485069 931881794 /nfs/dbraw/zinc/88/17/94/931881794.db2.gz MMFICZDQTIESLB-DVECYGJZSA-N 2 2 407.558 4.203 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000533485069 931881796 /nfs/dbraw/zinc/88/17/96/931881796.db2.gz MMFICZDQTIESLB-DVECYGJZSA-N 2 2 407.558 4.203 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000533485069 931881799 /nfs/dbraw/zinc/88/17/99/931881799.db2.gz MMFICZDQTIESLB-DVECYGJZSA-N 2 2 407.558 4.203 20 0 HIADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000533502808 931886151 /nfs/dbraw/zinc/88/61/51/931886151.db2.gz IXNBHIZCTGMUHH-OAQYLSRUSA-N 2 2 403.530 4.214 20 0 HIADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000533502808 931886153 /nfs/dbraw/zinc/88/61/53/931886153.db2.gz IXNBHIZCTGMUHH-OAQYLSRUSA-N 2 2 403.530 4.214 20 0 HIADLP CC[N@H+](Cc1cnc(OC)c(Cl)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533557918 931899507 /nfs/dbraw/zinc/89/95/07/931899507.db2.gz GVVBCTURVVELPD-UHFFFAOYSA-N 2 2 417.985 4.456 20 0 HIADLP CC[N@@H+](Cc1cnc(OC)c(Cl)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533557918 931899511 /nfs/dbraw/zinc/89/95/11/931899511.db2.gz GVVBCTURVVELPD-UHFFFAOYSA-N 2 2 417.985 4.456 20 0 HIADLP CN(C(=O)C1CC(c2cccc(F)c2)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649515 931945810 /nfs/dbraw/zinc/94/58/10/931945810.db2.gz NYPBUEJZNHJGPJ-XLFAKXAQSA-N 2 2 415.597 4.115 20 0 HIADLP CN(C(=O)C1CC(c2cccc(F)c2)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649515 931945814 /nfs/dbraw/zinc/94/58/14/931945814.db2.gz NYPBUEJZNHJGPJ-XLFAKXAQSA-N 2 2 415.597 4.115 20 0 HIADLP CN(C(=O)C1CC(c2cccc(F)c2)C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649511 931945993 /nfs/dbraw/zinc/94/59/93/931945993.db2.gz NYPBUEJZNHJGPJ-WVYIWEFDSA-N 2 2 415.597 4.115 20 0 HIADLP CN(C(=O)C1CC(c2cccc(F)c2)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649511 931945998 /nfs/dbraw/zinc/94/59/98/931945998.db2.gz NYPBUEJZNHJGPJ-WVYIWEFDSA-N 2 2 415.597 4.115 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534206380 932331825 /nfs/dbraw/zinc/33/18/25/932331825.db2.gz CNSQYROXDDVGLP-GOTSBHOMSA-N 2 2 416.610 4.195 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534206380 932331836 /nfs/dbraw/zinc/33/18/36/932331836.db2.gz CNSQYROXDDVGLP-GOTSBHOMSA-N 2 2 416.610 4.195 20 0 HIADLP Cc1cc(Cl)ccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213056 932335192 /nfs/dbraw/zinc/33/51/92/932335192.db2.gz BKRAPTJGAGQTSQ-LEWJYISDSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cc(Cl)ccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213056 932335198 /nfs/dbraw/zinc/33/51/98/932335198.db2.gz BKRAPTJGAGQTSQ-LEWJYISDSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cc(Cl)ccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213058 932335362 /nfs/dbraw/zinc/33/53/62/932335362.db2.gz BKRAPTJGAGQTSQ-RTWAWAEBSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cc(Cl)ccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213058 932335370 /nfs/dbraw/zinc/33/53/70/932335370.db2.gz BKRAPTJGAGQTSQ-RTWAWAEBSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1c(Cl)cccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213681 932336367 /nfs/dbraw/zinc/33/63/67/932336367.db2.gz WJNCLMIUBZSWEB-RTWAWAEBSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1c(Cl)cccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213681 932336374 /nfs/dbraw/zinc/33/63/74/932336374.db2.gz WJNCLMIUBZSWEB-RTWAWAEBSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360823 932393682 /nfs/dbraw/zinc/39/36/82/932393682.db2.gz QNENXAHGHUBCAP-FGZHOGPDSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360823 932393688 /nfs/dbraw/zinc/39/36/88/932393688.db2.gz QNENXAHGHUBCAP-FGZHOGPDSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1ccsc1CCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360674 932393834 /nfs/dbraw/zinc/39/38/34/932393834.db2.gz OTXLYGYEJBVILG-NHCUHLMSSA-N 2 2 405.652 4.175 20 0 HIADLP Cc1ccsc1CCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360674 932393840 /nfs/dbraw/zinc/39/38/40/932393840.db2.gz OTXLYGYEJBVILG-NHCUHLMSSA-N 2 2 405.652 4.175 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000534384434 932410621 /nfs/dbraw/zinc/41/06/21/932410621.db2.gz IJIPSLQJGJETDD-CDPNLFKUSA-N 2 2 414.638 4.157 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000534384434 932410622 /nfs/dbraw/zinc/41/06/22/932410622.db2.gz IJIPSLQJGJETDD-CDPNLFKUSA-N 2 2 414.638 4.157 20 0 HIADLP Cc1cc(C)cc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534385140 932411426 /nfs/dbraw/zinc/41/14/26/932411426.db2.gz NVVZOACIQXPIBW-OYDLWJJNSA-N 2 2 414.638 4.343 20 0 HIADLP Cc1cc(C)cc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534385140 932411430 /nfs/dbraw/zinc/41/14/30/932411430.db2.gz NVVZOACIQXPIBW-OYDLWJJNSA-N 2 2 414.638 4.343 20 0 HIADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534598940 932584172 /nfs/dbraw/zinc/58/41/72/932584172.db2.gz KFPAZYMIBSAUOG-HXUWFJFHSA-N 2 2 407.562 4.378 20 0 HIADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534598940 932584183 /nfs/dbraw/zinc/58/41/83/932584183.db2.gz KFPAZYMIBSAUOG-HXUWFJFHSA-N 2 2 407.562 4.378 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534932320 932844567 /nfs/dbraw/zinc/84/45/67/932844567.db2.gz YDNQCZPVWJVBBQ-UXHICEINSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)c(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534932320 932844574 /nfs/dbraw/zinc/84/45/74/932844574.db2.gz YDNQCZPVWJVBBQ-UXHICEINSA-N 2 2 410.965 4.280 20 0 HIADLP COc1ccc(-c2nc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)no2)cc1 ZINC000534963488 932863294 /nfs/dbraw/zinc/86/32/94/932863294.db2.gz CGEAYADRTIMPRF-UHFFFAOYSA-N 2 2 418.541 4.233 20 0 HIADLP COc1ccc(-c2nc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)no2)cc1 ZINC000534963488 932863297 /nfs/dbraw/zinc/86/32/97/932863297.db2.gz CGEAYADRTIMPRF-UHFFFAOYSA-N 2 2 418.541 4.233 20 0 HIADLP C[C@@H]1CCc2sc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2C1 ZINC000535093615 932907626 /nfs/dbraw/zinc/90/76/26/932907626.db2.gz CWCMXHBORSJLDM-UIFIKXQLSA-N 2 2 417.663 4.282 20 0 HIADLP C[C@@H]1CCc2sc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2C1 ZINC000535093615 932907635 /nfs/dbraw/zinc/90/76/35/932907635.db2.gz CWCMXHBORSJLDM-UIFIKXQLSA-N 2 2 417.663 4.282 20 0 HIADLP Cc1cc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c(C)c1 ZINC000535096357 932911111 /nfs/dbraw/zinc/91/11/11/932911111.db2.gz SOBWSDUUNJSQCU-ZEQRLZLVSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1cc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c(C)c1 ZINC000535096357 932911132 /nfs/dbraw/zinc/91/11/32/932911132.db2.gz SOBWSDUUNJSQCU-ZEQRLZLVSA-N 2 2 410.606 4.194 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000535097647 932914808 /nfs/dbraw/zinc/91/48/08/932914808.db2.gz XMYMRRZFFOMZAZ-LEOXJPRUSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000535097647 932914817 /nfs/dbraw/zinc/91/48/17/932914817.db2.gz XMYMRRZFFOMZAZ-LEOXJPRUSA-N 2 2 403.586 4.115 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535301420 933059792 /nfs/dbraw/zinc/05/97/92/933059792.db2.gz BJOAMNIHGNMHTK-JOCHJYFZSA-N 2 2 403.530 4.363 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535301420 933059799 /nfs/dbraw/zinc/05/97/99/933059799.db2.gz BJOAMNIHGNMHTK-JOCHJYFZSA-N 2 2 403.530 4.363 20 0 HIADLP O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573519 933248009 /nfs/dbraw/zinc/24/80/09/933248009.db2.gz CUBXVZTUMUTTQZ-HXUWFJFHSA-N 2 2 400.526 4.127 20 0 HIADLP CCc1cccc(C)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535663183 933308729 /nfs/dbraw/zinc/30/87/29/933308729.db2.gz YWFBBUQOFMQESY-VXKWHMMOSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1cccc(C)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535663183 933308735 /nfs/dbraw/zinc/30/87/35/933308735.db2.gz YWFBBUQOFMQESY-VXKWHMMOSA-N 2 2 400.611 4.358 20 0 HIADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3csc(COc4ccccc4)n3)CC2)C[C@@H](C)O1 ZINC000535825464 933418283 /nfs/dbraw/zinc/41/82/83/933418283.db2.gz WRRKPVSXYFKQEQ-RTBURBONSA-N 2 2 415.603 4.043 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850730 933434364 /nfs/dbraw/zinc/43/43/64/933434364.db2.gz LXEYSQTWFPGBGG-ZEQRLZLVSA-N 2 2 408.590 4.091 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850730 933434374 /nfs/dbraw/zinc/43/43/74/933434374.db2.gz LXEYSQTWFPGBGG-ZEQRLZLVSA-N 2 2 408.590 4.091 20 0 HIADLP CN(C(=O)c1ccc(OC2CCC2)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855825 933439384 /nfs/dbraw/zinc/43/93/84/933439384.db2.gz OQQCNDYKLHTPBI-RPWUZVMVSA-N 2 2 413.606 4.027 20 0 HIADLP CN(C(=O)c1ccc(OC2CCC2)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855825 933439387 /nfs/dbraw/zinc/43/93/87/933439387.db2.gz OQQCNDYKLHTPBI-RPWUZVMVSA-N 2 2 413.606 4.027 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000537357648 933734066 /nfs/dbraw/zinc/73/40/66/933734066.db2.gz LTTXNQGAWFIJQZ-HRAATJIYSA-N 2 2 408.373 4.405 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000537357648 933734071 /nfs/dbraw/zinc/73/40/71/933734071.db2.gz LTTXNQGAWFIJQZ-HRAATJIYSA-N 2 2 408.373 4.405 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000537670232 938350618 /nfs/dbraw/zinc/35/06/18/938350618.db2.gz NSHYMYRKICGFIE-NFBKMPQASA-N 2 2 409.578 4.273 20 0 HIADLP CC[C@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1nnc2n1CCCCC2 ZINC000538260906 938577472 /nfs/dbraw/zinc/57/74/72/938577472.db2.gz LIPHKPMMHNEGJN-PMACEKPBSA-N 2 2 409.578 4.033 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1)C1CC1 ZINC000538271381 938580392 /nfs/dbraw/zinc/58/03/92/938580392.db2.gz PPVUEIYTPLVOMC-IBGZPJMESA-N 2 2 409.549 4.329 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1)C1CC1 ZINC000538271381 938580393 /nfs/dbraw/zinc/58/03/93/938580393.db2.gz PPVUEIYTPLVOMC-IBGZPJMESA-N 2 2 409.549 4.329 20 0 HIADLP CCC[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000538333350 938595496 /nfs/dbraw/zinc/59/54/96/938595496.db2.gz ZNMMYALEOXGDFB-XMMPIXPASA-N 2 2 402.542 4.058 20 0 HIADLP CCC[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000538333350 938595500 /nfs/dbraw/zinc/59/55/00/938595500.db2.gz ZNMMYALEOXGDFB-XMMPIXPASA-N 2 2 402.542 4.058 20 0 HIADLP COc1c(Cl)cccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538347277 938600141 /nfs/dbraw/zinc/60/01/41/938600141.db2.gz LMEJRWMMVIODDW-UXHICEINSA-N 2 2 423.001 4.150 20 0 HIADLP COc1c(Cl)cccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538347277 938600143 /nfs/dbraw/zinc/60/01/43/938600143.db2.gz LMEJRWMMVIODDW-UXHICEINSA-N 2 2 423.001 4.150 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000539054897 938785070 /nfs/dbraw/zinc/78/50/70/938785070.db2.gz WARIHLJXBFIQMI-IAGOWNOFSA-N 2 2 410.953 4.192 20 0 HIADLP O=C(Nc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1)c1ccc(F)cc1 ZINC000539063472 938789150 /nfs/dbraw/zinc/78/91/50/938789150.db2.gz GSABJBXMCOOHEX-UHFFFAOYSA-N 2 2 404.489 4.232 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128277 938807647 /nfs/dbraw/zinc/80/76/47/938807647.db2.gz QMBAIBWYYYCRJB-NHCUHLMSSA-N 2 2 403.929 4.106 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128277 938807649 /nfs/dbraw/zinc/80/76/49/938807649.db2.gz QMBAIBWYYYCRJB-NHCUHLMSSA-N 2 2 403.929 4.106 20 0 HIADLP COC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc(F)c(F)c1 ZINC000539307816 938838366 /nfs/dbraw/zinc/83/83/66/938838366.db2.gz ALBJNBCGODYWGQ-QZMQVMSPSA-N 2 2 404.501 4.051 20 0 HIADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000539498746 938869099 /nfs/dbraw/zinc/86/90/99/938869099.db2.gz WLEUYXQFLXRWNH-GOSISDBHSA-N 2 2 405.542 4.234 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4ccc(OC(F)(F)F)cc43)[nH+]c2)C1 ZINC000539661614 938896314 /nfs/dbraw/zinc/89/63/14/938896314.db2.gz YYSVQQMSAACUHJ-LPHOPBHVSA-N 2 2 406.452 4.220 20 0 HIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000539688802 938902021 /nfs/dbraw/zinc/90/20/21/938902021.db2.gz GKJGZHMDUCVBPZ-KRWDZBQOSA-N 2 2 422.577 4.069 20 0 HIADLP CC[N@@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539822292 938944987 /nfs/dbraw/zinc/94/49/87/938944987.db2.gz LDIXZKWKBKQKAS-UHFFFAOYSA-N 2 2 405.546 4.219 20 0 HIADLP CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539822292 938945002 /nfs/dbraw/zinc/94/50/02/938945002.db2.gz LDIXZKWKBKQKAS-UHFFFAOYSA-N 2 2 405.546 4.219 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539822787 938945120 /nfs/dbraw/zinc/94/51/20/938945120.db2.gz MNGRYRKYQVFSRH-GCJKJVERSA-N 2 2 406.014 4.119 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539822787 938945128 /nfs/dbraw/zinc/94/51/28/938945128.db2.gz MNGRYRKYQVFSRH-GCJKJVERSA-N 2 2 406.014 4.119 20 0 HIADLP COc1ccccc1[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000540147412 939091155 /nfs/dbraw/zinc/09/11/55/939091155.db2.gz RDXYJOOWKBJQDL-KBMIEXCESA-N 2 2 405.542 4.471 20 0 HIADLP COc1ccccc1[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000540147414 939091362 /nfs/dbraw/zinc/09/13/62/939091362.db2.gz RDXYJOOWKBJQDL-UQBPGWFLSA-N 2 2 405.542 4.471 20 0 HIADLP COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)oc21 ZINC000540598471 939315825 /nfs/dbraw/zinc/31/58/25/939315825.db2.gz MLUARQXQIGKAAS-GOSISDBHSA-N 2 2 410.514 4.003 20 0 HIADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541407325 939507781 /nfs/dbraw/zinc/50/77/81/939507781.db2.gz PFGFFKQYJQJRGE-CTNGQTDRSA-N 2 2 410.562 4.040 20 0 HIADLP C[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599540 939564067 /nfs/dbraw/zinc/56/40/67/939564067.db2.gz JLABKKYYAGKYIK-CABCVRRESA-N 2 2 419.418 4.010 20 0 HIADLP C[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599540 939564069 /nfs/dbraw/zinc/56/40/69/939564069.db2.gz JLABKKYYAGKYIK-CABCVRRESA-N 2 2 419.418 4.010 20 0 HIADLP COC(=O)c1coc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000541775510 939627590 /nfs/dbraw/zinc/62/75/90/939627590.db2.gz SPAJQACYHXWIMK-BEFAXECRSA-N 2 2 410.436 4.258 20 0 HIADLP COC(=O)c1coc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000541775510 939627594 /nfs/dbraw/zinc/62/75/94/939627594.db2.gz SPAJQACYHXWIMK-BEFAXECRSA-N 2 2 410.436 4.258 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132379 939724550 /nfs/dbraw/zinc/72/45/50/939724550.db2.gz ZAWOZGXYNBBECW-SFHVURJKSA-N 2 2 402.970 4.248 20 0 HIADLP C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542304452 939792113 /nfs/dbraw/zinc/79/21/13/939792113.db2.gz OHMYFWNTMKZCRV-QGZVFWFLSA-N 2 2 409.559 4.041 20 0 HIADLP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000542328831 939801271 /nfs/dbraw/zinc/80/12/71/939801271.db2.gz MOIAOJZNFFCTEB-SIKLNZKXSA-N 2 2 420.601 4.056 20 0 HIADLP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000542328831 939801273 /nfs/dbraw/zinc/80/12/73/939801273.db2.gz MOIAOJZNFFCTEB-SIKLNZKXSA-N 2 2 420.601 4.056 20 0 HIADLP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542335712 939802667 /nfs/dbraw/zinc/80/26/67/939802667.db2.gz CQXUVKGMWGQIFE-LADGPHEKSA-N 2 2 420.601 4.447 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000542353793 939806173 /nfs/dbraw/zinc/80/61/73/939806173.db2.gz JWWNFLVEMXUXFS-IFMALSPDSA-N 2 2 424.589 4.348 20 0 HIADLP CC[C@@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000543062725 939915562 /nfs/dbraw/zinc/91/55/62/939915562.db2.gz ILRASUIBRWSWNX-OAQYLSRUSA-N 2 2 402.970 4.296 20 0 HIADLP Cc1ccc2[nH]cc(CCC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000543109604 939950243 /nfs/dbraw/zinc/95/02/43/939950243.db2.gz XCNDAGRJGJNISJ-LOSJGSFVSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1ccc2[nH]cc(CCC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000543109604 939950253 /nfs/dbraw/zinc/95/02/53/939950253.db2.gz XCNDAGRJGJNISJ-LOSJGSFVSA-N 2 2 424.633 4.205 20 0 HIADLP C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543109538 939950353 /nfs/dbraw/zinc/95/03/53/939950353.db2.gz UCWDOFFTQIMJQL-YSZBQJHXSA-N 2 2 420.041 4.314 20 0 HIADLP C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543109538 939950364 /nfs/dbraw/zinc/95/03/64/939950364.db2.gz UCWDOFFTQIMJQL-YSZBQJHXSA-N 2 2 420.041 4.314 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)o1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543130765 939961937 /nfs/dbraw/zinc/96/19/37/939961937.db2.gz YNDIHMVZNMODQG-YADHBBJMSA-N 2 2 409.574 4.356 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543130765 939961948 /nfs/dbraw/zinc/96/19/48/939961948.db2.gz YNDIHMVZNMODQG-YADHBBJMSA-N 2 2 409.574 4.356 20 0 HIADLP Brc1ccc(N2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000543230472 940002235 /nfs/dbraw/zinc/00/22/35/940002235.db2.gz FPORPMNFTBVWGF-HNNXBMFYSA-N 2 2 403.349 4.065 20 0 HIADLP FC(F)(F)c1ccc(CN2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000543254250 940009551 /nfs/dbraw/zinc/00/95/51/940009551.db2.gz VNTKAJUKGWHWOT-KRWDZBQOSA-N 2 2 406.477 4.317 20 0 HIADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543268082 940013228 /nfs/dbraw/zinc/01/32/28/940013228.db2.gz MWNODGJRESGFAL-LADGPHEKSA-N 2 2 420.601 4.447 20 0 HIADLP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000543400657 940052242 /nfs/dbraw/zinc/05/22/42/940052242.db2.gz IDVPUEDMVOOXTK-VWLOTQADSA-N 2 2 405.517 4.057 20 0 HIADLP Cc1cc([C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2cccnc2)ccc1F ZINC000543405623 940054061 /nfs/dbraw/zinc/05/40/61/940054061.db2.gz AVGHUHNVWVMSJF-AREMUKBSSA-N 2 2 418.560 4.156 20 0 HIADLP Cc1cc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2cccnc2)ccc1F ZINC000543405623 940054063 /nfs/dbraw/zinc/05/40/63/940054063.db2.gz AVGHUHNVWVMSJF-AREMUKBSSA-N 2 2 418.560 4.156 20 0 HIADLP c1cn(-c2csc(C[NH2+]CCCOC3CC[NH+](Cc4ccccc4)CC3)c2)c[nH+]1 ZINC000544110543 940328966 /nfs/dbraw/zinc/32/89/66/940328966.db2.gz OYDLTNIBZUMSPW-UHFFFAOYSA-N 3 2 410.587 4.095 20 0 HIADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000544198852 940352072 /nfs/dbraw/zinc/35/20/72/940352072.db2.gz FJWKAQIXVHVXHC-GGAORHGYSA-N 2 2 408.590 4.221 20 0 HIADLP C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000544224925 940360173 /nfs/dbraw/zinc/36/01/73/940360173.db2.gz NIAGNQBPKXVCMO-DENIHFKCSA-N 2 2 408.590 4.130 20 0 HIADLP C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000544224925 940360175 /nfs/dbraw/zinc/36/01/75/940360175.db2.gz NIAGNQBPKXVCMO-DENIHFKCSA-N 2 2 408.590 4.130 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000544579226 940483758 /nfs/dbraw/zinc/48/37/58/940483758.db2.gz NRPQKPRVAYHJGT-DNQXCXABSA-N 2 2 423.582 4.115 20 0 HIADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)nc12 ZINC000544896985 940522864 /nfs/dbraw/zinc/52/28/64/940522864.db2.gz MOTCOKCWNKDALW-INIZCTEOSA-N 2 2 424.346 4.484 20 0 HIADLP C[NH+](C)CCOc1ccc(-c2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000544972489 940529873 /nfs/dbraw/zinc/52/98/73/940529873.db2.gz NYBINYDKOAQQPF-XGICHPGQSA-N 2 2 401.470 4.033 20 0 HIADLP C[C@H]([NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000545157728 940552098 /nfs/dbraw/zinc/55/20/98/940552098.db2.gz LZOBMAOUHSMWRB-SBUREZEXSA-N 2 2 412.965 4.454 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000545916850 940657728 /nfs/dbraw/zinc/65/77/28/940657728.db2.gz TYKCRIKHLYLSLH-CVEARBPZSA-N 2 2 400.485 4.205 20 0 HIADLP Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)C2)c1 ZINC000546403638 940812063 /nfs/dbraw/zinc/81/20/63/940812063.db2.gz PNFHJZIYRWUILB-LJQANCHMSA-N 2 2 403.461 4.441 20 0 HIADLP Fc1cccc(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)C2)c1 ZINC000546403638 940812064 /nfs/dbraw/zinc/81/20/64/940812064.db2.gz PNFHJZIYRWUILB-LJQANCHMSA-N 2 2 403.461 4.441 20 0 HIADLP CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+](C)C)cc1 ZINC000564030224 945358292 /nfs/dbraw/zinc/35/82/92/945358292.db2.gz VJCNIHBGHNAWDJ-NFBKMPQASA-N 2 2 410.606 4.256 20 0 HIADLP CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+](C)C)cc1 ZINC000564030224 945358303 /nfs/dbraw/zinc/35/83/03/945358303.db2.gz VJCNIHBGHNAWDJ-NFBKMPQASA-N 2 2 410.606 4.256 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000547330032 941056534 /nfs/dbraw/zinc/05/65/34/941056534.db2.gz WHBLRNYVKNYKRV-UHFFFAOYSA-N 2 2 418.484 4.264 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000549167884 941167925 /nfs/dbraw/zinc/16/79/25/941167925.db2.gz XQAHGPGLGAYZHI-RPWUZVMVSA-N 2 2 405.586 4.071 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000549167884 941167926 /nfs/dbraw/zinc/16/79/26/941167926.db2.gz XQAHGPGLGAYZHI-RPWUZVMVSA-N 2 2 405.586 4.071 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c2ccccc21 ZINC000549627470 941201938 /nfs/dbraw/zinc/20/19/38/941201938.db2.gz SCWBQTGWUHCTLM-GLYQVZKVSA-N 2 2 407.558 4.378 20 0 HIADLP O=C(NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000549707171 941205234 /nfs/dbraw/zinc/20/52/34/941205234.db2.gz CUQNTYDTIDDKMH-UHFFFAOYSA-N 2 2 414.553 4.089 20 0 HIADLP CCc1nc(C(C)C)ccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000549866432 941220403 /nfs/dbraw/zinc/22/04/03/941220403.db2.gz VXEIEKLHUZWSGV-UHFFFAOYSA-N 3 2 400.655 4.396 20 0 HIADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000549866432 941220410 /nfs/dbraw/zinc/22/04/10/941220410.db2.gz VXEIEKLHUZWSGV-UHFFFAOYSA-N 3 2 400.655 4.396 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4sc(Br)cc43)[nH+]c2)C1 ZINC000550760150 941363695 /nfs/dbraw/zinc/36/36/95/941363695.db2.gz TUWGKDBDQKXPMB-UKRRQHHQSA-N 2 2 407.381 4.145 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@@H](c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000550996516 941392107 /nfs/dbraw/zinc/39/21/07/941392107.db2.gz QMLVYWZZCKVMQM-WSAILGMDSA-N 3 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@@H](c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000550996516 941392113 /nfs/dbraw/zinc/39/21/13/941392113.db2.gz QMLVYWZZCKVMQM-WSAILGMDSA-N 3 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000550996516 941392118 /nfs/dbraw/zinc/39/21/18/941392118.db2.gz QMLVYWZZCKVMQM-WSAILGMDSA-N 3 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000550996516 941392122 /nfs/dbraw/zinc/39/21/22/941392122.db2.gz QMLVYWZZCKVMQM-WSAILGMDSA-N 3 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H](c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000550996516 941392127 /nfs/dbraw/zinc/39/21/27/941392127.db2.gz QMLVYWZZCKVMQM-WSAILGMDSA-N 2 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H](c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000550996516 941392131 /nfs/dbraw/zinc/39/21/31/941392131.db2.gz QMLVYWZZCKVMQM-WSAILGMDSA-N 2 2 407.602 4.221 20 0 HIADLP CC(C)C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1ccccc1Cl ZINC000551813087 941550263 /nfs/dbraw/zinc/55/02/63/941550263.db2.gz QWLGHGKVNUHDCA-GOSISDBHSA-N 2 2 401.986 4.101 20 0 HIADLP CC(C)C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1ccccc1Cl ZINC000551813087 941550265 /nfs/dbraw/zinc/55/02/65/941550265.db2.gz QWLGHGKVNUHDCA-GOSISDBHSA-N 2 2 401.986 4.101 20 0 HIADLP Clc1ccc(CC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1Cl ZINC000552280988 941621710 /nfs/dbraw/zinc/62/17/10/941621710.db2.gz ALIVBYUEHUHQIN-OAQYLSRUSA-N 2 2 418.412 4.428 20 0 HIADLP Clc1ccc(CC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1Cl ZINC000552280988 941621713 /nfs/dbraw/zinc/62/17/13/941621713.db2.gz ALIVBYUEHUHQIN-OAQYLSRUSA-N 2 2 418.412 4.428 20 0 HIADLP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1C ZINC000552338684 941637964 /nfs/dbraw/zinc/63/79/64/941637964.db2.gz MTVUEQLHCITRRM-SBZWWDHJSA-N 2 2 419.613 4.260 20 0 HIADLP Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1C ZINC000552338684 941637965 /nfs/dbraw/zinc/63/79/65/941637965.db2.gz MTVUEQLHCITRRM-SBZWWDHJSA-N 2 2 419.613 4.260 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000552549868 941705036 /nfs/dbraw/zinc/70/50/36/941705036.db2.gz BSIQXFZRRHGBIQ-HNAYVOBHSA-N 2 2 422.411 4.329 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553143241 941839992 /nfs/dbraw/zinc/83/99/92/941839992.db2.gz DFLLRTJGWWBSOH-REWPJTCUSA-N 2 2 402.542 4.055 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553143241 941839993 /nfs/dbraw/zinc/83/99/93/941839993.db2.gz DFLLRTJGWWBSOH-REWPJTCUSA-N 2 2 402.542 4.055 20 0 HIADLP CSCc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000553276144 941859768 /nfs/dbraw/zinc/85/97/68/941859768.db2.gz KGNPSCMZOLKSHT-YADHBBJMSA-N 2 2 418.651 4.351 20 0 HIADLP CSCc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000553276144 941859770 /nfs/dbraw/zinc/85/97/70/941859770.db2.gz KGNPSCMZOLKSHT-YADHBBJMSA-N 2 2 418.651 4.351 20 0 HIADLP CN(C(=O)Nc1cccc(-n2cccc2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000553614932 941921343 /nfs/dbraw/zinc/92/13/43/941921343.db2.gz BCTWRLFRNXGHGV-BJKOFHAPSA-N 2 2 423.605 4.278 20 0 HIADLP CN(C(=O)Nc1cccc(-n2cccc2)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000553614932 941921346 /nfs/dbraw/zinc/92/13/46/941921346.db2.gz BCTWRLFRNXGHGV-BJKOFHAPSA-N 2 2 423.605 4.278 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N(Cc3ccccc3)C3CC3)C2)s1 ZINC000554851233 942288176 /nfs/dbraw/zinc/28/81/76/942288176.db2.gz DWGFITFVFZUOPL-NRFANRHFSA-N 2 2 411.615 4.001 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N(Cc3ccccc3)C3CC3)C2)s1 ZINC000554851233 942288191 /nfs/dbraw/zinc/28/81/91/942288191.db2.gz DWGFITFVFZUOPL-NRFANRHFSA-N 2 2 411.615 4.001 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N(Cc3ccccc3)C3CC3)C2)s1 ZINC000554851233 942288201 /nfs/dbraw/zinc/28/82/01/942288201.db2.gz DWGFITFVFZUOPL-NRFANRHFSA-N 2 2 411.615 4.001 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N(Cc3ccccc3)C3CC3)C2)s1 ZINC000554851233 942288211 /nfs/dbraw/zinc/28/82/11/942288211.db2.gz DWGFITFVFZUOPL-NRFANRHFSA-N 2 2 411.615 4.001 20 0 HIADLP COCCCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000554918982 942319904 /nfs/dbraw/zinc/31/99/04/942319904.db2.gz JGVVVQQXGUFHEU-GHTZIAJQSA-N 2 2 424.511 4.111 20 0 HIADLP COCCCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000554918982 942319909 /nfs/dbraw/zinc/31/99/09/942319909.db2.gz JGVVVQQXGUFHEU-GHTZIAJQSA-N 2 2 424.511 4.111 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000554960736 942335183 /nfs/dbraw/zinc/33/51/83/942335183.db2.gz ROVGBXSGIBWVEY-QGZVFWFLSA-N 2 2 401.938 4.106 20 0 HIADLP CC[N@H+](CCCC(=O)Nc1ccccc1C(C)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000555642779 942685732 /nfs/dbraw/zinc/68/57/32/942685732.db2.gz BEQZJSUOMDXIDF-UHFFFAOYSA-N 2 2 422.573 4.241 20 0 HIADLP CC[N@@H+](CCCC(=O)Nc1ccccc1C(C)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000555642779 942685739 /nfs/dbraw/zinc/68/57/39/942685739.db2.gz BEQZJSUOMDXIDF-UHFFFAOYSA-N 2 2 422.573 4.241 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1=O ZINC000556241784 942825113 /nfs/dbraw/zinc/82/51/13/942825113.db2.gz SBWNLXJNKRLGDD-LKDDOFHYSA-N 2 2 409.549 4.303 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1=O ZINC000556241784 942825114 /nfs/dbraw/zinc/82/51/14/942825114.db2.gz SBWNLXJNKRLGDD-LKDDOFHYSA-N 2 2 409.549 4.303 20 0 HIADLP CCCc1csc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)n1 ZINC000557523615 943189500 /nfs/dbraw/zinc/18/95/00/943189500.db2.gz MZKAFPDYLNJUDX-UHFFFAOYSA-N 2 2 402.608 4.212 20 0 HIADLP CCCc1csc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)n1 ZINC000557523615 943189512 /nfs/dbraw/zinc/18/95/12/943189512.db2.gz MZKAFPDYLNJUDX-UHFFFAOYSA-N 2 2 402.608 4.212 20 0 HIADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000557541143 943200336 /nfs/dbraw/zinc/20/03/36/943200336.db2.gz NBOBWCCTULCIPN-HSZRJFAPSA-N 2 2 402.542 4.021 20 0 HIADLP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000557630523 943239246 /nfs/dbraw/zinc/23/92/46/943239246.db2.gz RQARHNZKCOYAQB-NRFANRHFSA-N 2 2 400.611 4.218 20 0 HIADLP COc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000557691691 943259857 /nfs/dbraw/zinc/25/98/57/943259857.db2.gz LAHBGWVKRQZERC-LEWJYISDSA-N 2 2 423.001 4.150 20 0 HIADLP COc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000557691691 943259863 /nfs/dbraw/zinc/25/98/63/943259863.db2.gz LAHBGWVKRQZERC-LEWJYISDSA-N 2 2 423.001 4.150 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000558975365 943779792 /nfs/dbraw/zinc/77/97/92/943779792.db2.gz PIRCPLBNAXWPKA-GPUOULLFSA-N 2 2 422.569 4.049 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000558975365 943779800 /nfs/dbraw/zinc/77/98/00/943779800.db2.gz PIRCPLBNAXWPKA-GPUOULLFSA-N 2 2 422.569 4.049 20 0 HIADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000559985705 944112984 /nfs/dbraw/zinc/11/29/84/944112984.db2.gz BDQZYEKSWACGQU-UHFFFAOYSA-N 2 2 417.557 4.282 20 0 HIADLP Cc1ccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c2ccc(C)cc2)cc1 ZINC000560581776 944263298 /nfs/dbraw/zinc/26/32/98/944263298.db2.gz WSCPHPQZHPDWKD-SBZWWDHJSA-N 2 2 419.613 4.260 20 0 HIADLP Cc1ccc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c2ccc(C)cc2)cc1 ZINC000560581776 944263305 /nfs/dbraw/zinc/26/33/05/944263305.db2.gz WSCPHPQZHPDWKD-SBZWWDHJSA-N 2 2 419.613 4.260 20 0 HIADLP CC[N@H+](Cc1cccc(C(=O)OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000564617756 945710938 /nfs/dbraw/zinc/71/09/38/945710938.db2.gz QSTYMUONYNYKGJ-UHFFFAOYSA-N 2 2 410.562 4.186 20 0 HIADLP CC[N@@H+](Cc1cccc(C(=O)OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000564617756 945710946 /nfs/dbraw/zinc/71/09/46/945710946.db2.gz QSTYMUONYNYKGJ-UHFFFAOYSA-N 2 2 410.562 4.186 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000565369424 945817648 /nfs/dbraw/zinc/81/76/48/945817648.db2.gz XHQXHFMVHXSWTB-ZEQRLZLVSA-N 2 2 423.582 4.115 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000565369422 945817904 /nfs/dbraw/zinc/81/79/04/945817904.db2.gz XHQXHFMVHXSWTB-DNQXCXABSA-N 2 2 423.582 4.115 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566843710 946126679 /nfs/dbraw/zinc/12/66/79/946126679.db2.gz QOJGDEDIBPAOHV-VXKWHMMOSA-N 2 2 415.940 4.250 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566843710 946126689 /nfs/dbraw/zinc/12/66/89/946126689.db2.gz QOJGDEDIBPAOHV-VXKWHMMOSA-N 2 2 415.940 4.250 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000567129498 946246808 /nfs/dbraw/zinc/24/68/08/946246808.db2.gz IUGSSMHRRCYOIY-UHFFFAOYSA-N 2 2 401.514 4.267 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000567129498 946246813 /nfs/dbraw/zinc/24/68/13/946246813.db2.gz IUGSSMHRRCYOIY-UHFFFAOYSA-N 2 2 401.514 4.267 20 0 HIADLP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000567141725 946250637 /nfs/dbraw/zinc/25/06/37/946250637.db2.gz RCLMWFGWTRXBQN-HSZRJFAPSA-N 2 2 405.542 4.046 20 0 HIADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000567650659 946392068 /nfs/dbraw/zinc/39/20/68/946392068.db2.gz NHWFSJZQQWTUQR-MOPGFXCFSA-N 2 2 415.603 4.236 20 0 HIADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000567650659 946392077 /nfs/dbraw/zinc/39/20/77/946392077.db2.gz NHWFSJZQQWTUQR-MOPGFXCFSA-N 2 2 415.603 4.236 20 0 HIADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000567650659 946392090 /nfs/dbraw/zinc/39/20/90/946392090.db2.gz NHWFSJZQQWTUQR-MOPGFXCFSA-N 2 2 415.603 4.236 20 0 HIADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000567650659 946392104 /nfs/dbraw/zinc/39/21/04/946392104.db2.gz NHWFSJZQQWTUQR-MOPGFXCFSA-N 2 2 415.603 4.236 20 0 HIADLP CC(C)Cc1ccc([C@@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)[NH+](C)C)cc1 ZINC000567656919 946395519 /nfs/dbraw/zinc/39/55/19/946395519.db2.gz VYDWDRIQLJNEBV-RUZDIDTESA-N 2 2 418.585 4.092 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000567973917 946435647 /nfs/dbraw/zinc/43/56/47/946435647.db2.gz CHVQPPVLLYFQKC-ICSRJNTNSA-N 2 2 408.496 4.309 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000567973917 946435656 /nfs/dbraw/zinc/43/56/56/946435656.db2.gz CHVQPPVLLYFQKC-ICSRJNTNSA-N 2 2 408.496 4.309 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000567973917 946435662 /nfs/dbraw/zinc/43/56/62/946435662.db2.gz CHVQPPVLLYFQKC-ICSRJNTNSA-N 2 2 408.496 4.309 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000567973917 946435671 /nfs/dbraw/zinc/43/56/71/946435671.db2.gz CHVQPPVLLYFQKC-ICSRJNTNSA-N 2 2 408.496 4.309 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)c1Br ZINC000570273006 947179668 /nfs/dbraw/zinc/17/96/68/947179668.db2.gz LGYJLNSKSYCBFC-UHFFFAOYSA-N 2 2 405.384 4.013 20 0 HIADLP c1nc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n(-c2ccccc2)n1 ZINC000572144431 947850580 /nfs/dbraw/zinc/85/05/80/947850580.db2.gz QNPPEFBTIJZEOK-QPTUXGOLSA-N 2 2 401.558 4.048 20 0 HIADLP c1nc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n(-c2ccccc2)n1 ZINC000572144431 947850582 /nfs/dbraw/zinc/85/05/82/947850582.db2.gz QNPPEFBTIJZEOK-QPTUXGOLSA-N 2 2 401.558 4.048 20 0 HIADLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000573288138 948146682 /nfs/dbraw/zinc/14/66/82/948146682.db2.gz NJKCDNFBCDECSI-MOPGFXCFSA-N 2 2 406.636 4.000 20 0 HIADLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000573288138 948146687 /nfs/dbraw/zinc/14/66/87/948146687.db2.gz NJKCDNFBCDECSI-MOPGFXCFSA-N 2 2 406.636 4.000 20 0 HIADLP COc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1OC(F)F ZINC000573532741 948235032 /nfs/dbraw/zinc/23/50/32/948235032.db2.gz VEYGXUSCEPVXPF-AZUAARDMSA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1OC(F)F ZINC000573532741 948235043 /nfs/dbraw/zinc/23/50/43/948235043.db2.gz VEYGXUSCEPVXPF-AZUAARDMSA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1OC(F)F ZINC000573532741 948235060 /nfs/dbraw/zinc/23/50/60/948235060.db2.gz VEYGXUSCEPVXPF-AZUAARDMSA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1OC(F)F ZINC000573532741 948235074 /nfs/dbraw/zinc/23/50/74/948235074.db2.gz VEYGXUSCEPVXPF-AZUAARDMSA-N 2 2 402.485 4.251 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@@H](C)c1ccccc1 ZINC000573604910 948248070 /nfs/dbraw/zinc/24/80/70/948248070.db2.gz PYBJHMASSWBLKN-MSOLQXFVSA-N 2 2 400.592 4.095 20 0 HIADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccnc3ccccc23)o1 ZINC000575095678 948591465 /nfs/dbraw/zinc/59/14/65/948591465.db2.gz PHKDIWYEVRFVCF-UHFFFAOYSA-N 2 2 411.303 4.489 20 0 HIADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccnc3ccccc23)o1 ZINC000575095678 948591473 /nfs/dbraw/zinc/59/14/73/948591473.db2.gz PHKDIWYEVRFVCF-UHFFFAOYSA-N 2 2 411.303 4.489 20 0 HIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)c(C)c[nH+]1)CC2 ZINC001164658910 719354395 /nfs/dbraw/zinc/35/43/95/719354395.db2.gz LTDOAJQNMUKAKD-UHFFFAOYSA-N 2 2 401.558 4.393 20 0 HIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)c(C)c[nH+]1)CC2 ZINC001164658910 719354396 /nfs/dbraw/zinc/35/43/96/719354396.db2.gz LTDOAJQNMUKAKD-UHFFFAOYSA-N 2 2 401.558 4.393 20 0 HIADLP FC1(F)CCN(c2[nH+]ccc3c4c([nH]c32)CCC4)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909124 721736435 /nfs/dbraw/zinc/73/64/35/721736435.db2.gz BYKSQLMLYHJMME-HSZRJFAPSA-N 2 2 423.511 4.184 20 0 HIADLP FC1(F)CCN(c2[nH+]ccc3c4c([nH]c32)CCC4)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164909124 721736443 /nfs/dbraw/zinc/73/64/43/721736443.db2.gz BYKSQLMLYHJMME-HSZRJFAPSA-N 2 2 423.511 4.184 20 0 HIADLP Cc1ccc2c(C)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]c2c1C ZINC001164982772 722144121 /nfs/dbraw/zinc/14/41/21/722144121.db2.gz SHXUQSRFTJICBL-UPVQGACJSA-N 2 2 416.569 4.282 20 0 HIADLP Cc1ccc2c(C)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]c2c1C ZINC001164982772 722144124 /nfs/dbraw/zinc/14/41/24/722144124.db2.gz SHXUQSRFTJICBL-UPVQGACJSA-N 2 2 416.569 4.282 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(Cl)cc(C(F)(F)F)c3)[nH+]c2)CC1 ZINC000436024734 861318470 /nfs/dbraw/zinc/31/84/70/861318470.db2.gz SVIHJGPNYXWKLB-UHFFFAOYSA-N 2 2 412.887 4.896 20 0 HIADLP C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000436183290 861485530 /nfs/dbraw/zinc/48/55/30/861485530.db2.gz VUSMCMRIFIAWHD-UHFFFAOYSA-N 2 2 404.514 4.079 20 0 HIADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 ZINC000436255138 861566851 /nfs/dbraw/zinc/56/68/51/861566851.db2.gz WBINXBOHZCXBNE-PELRDEGISA-N 2 2 419.569 4.313 20 0 HIADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000048535268 849239522 /nfs/dbraw/zinc/23/95/22/849239522.db2.gz VAJAJBWLJNBHPP-HXUWFJFHSA-N 2 2 417.557 4.034 20 0 HIADLP CCCc1ccc([C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000051759307 849513853 /nfs/dbraw/zinc/51/38/53/849513853.db2.gz FZVOEHQTFHPXPC-XMMPIXPASA-N 2 2 414.638 4.194 20 0 HIADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764073 850470978 /nfs/dbraw/zinc/47/09/78/850470978.db2.gz LQWWZCRNBZHHSJ-UHFFFAOYSA-N 2 2 417.557 4.282 20 0 HIADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764270 850472234 /nfs/dbraw/zinc/47/22/34/850472234.db2.gz POOCDILQRZQANL-UHFFFAOYSA-N 2 2 417.557 4.282 20 0 HIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@H+](C)C2Cc3ccccc3C2)c1=S ZINC000057104336 850549376 /nfs/dbraw/zinc/54/93/76/850549376.db2.gz BXEGUOFZCQDNDK-FQEVSTJZSA-N 2 2 401.624 4.284 20 0 HIADLP CCCCn1c([C@H](CC)[NH+](C)C)nn(C[N@@H+](C)C2Cc3ccccc3C2)c1=S ZINC000057104336 850549392 /nfs/dbraw/zinc/54/93/92/850549392.db2.gz BXEGUOFZCQDNDK-FQEVSTJZSA-N 2 2 401.624 4.284 20 0 HIADLP Brc1cccc(-c2c[nH]c(C[NH2+]CCCCNc3cccc[nH+]3)n2)c1 ZINC000236576530 853899636 /nfs/dbraw/zinc/89/96/36/853899636.db2.gz CNRQBDDLGWEOCW-UHFFFAOYSA-N 2 2 400.324 4.216 20 0 HIADLP c1cn(Cc2cccc(C[NH2+]Cc3csc(-c4ccc5c(c4)OCO5)n3)c2)c[nH+]1 ZINC000236650239 853906949 /nfs/dbraw/zinc/90/69/49/853906949.db2.gz IRUSLYLXFJFKAB-UHFFFAOYSA-N 2 2 404.495 4.073 20 0 HIADLP c1cn(Cc2ccc(C[NH2+]Cc3csc(-c4ccc5c(c4)OCO5)n3)cc2)c[nH+]1 ZINC000236649941 853907116 /nfs/dbraw/zinc/90/71/16/853907116.db2.gz FLUGSJJLIDGTHI-UHFFFAOYSA-N 2 2 404.495 4.073 20 0 HIADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000236849324 853928926 /nfs/dbraw/zinc/92/89/26/853928926.db2.gz KHGXVPKIMRPEPZ-IBGZPJMESA-N 2 2 419.013 4.141 20 0 HIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)o1 ZINC000237657607 854069908 /nfs/dbraw/zinc/06/99/08/854069908.db2.gz ZKJLSVJJFXEWGK-UHFFFAOYSA-N 2 2 424.516 4.395 20 0 HIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000237725406 854083965 /nfs/dbraw/zinc/08/39/65/854083965.db2.gz XNEKGJLRGVOEIJ-UHFFFAOYSA-N 2 2 424.976 4.265 20 0 HIADLP CC(C)[NH+]1CCC(Nc2nc(NC3CC[NH+](C(C)C)CC3)c3ccccc3[nH+]2)CC1 ZINC000301140013 854308707 /nfs/dbraw/zinc/30/87/07/854308707.db2.gz ACVHWDXXJRUPJU-UHFFFAOYSA-N 3 2 410.610 4.199 20 0 HIADLP Brc1ccc2c(c1)[nH+]ccc2N1CCC[N@H+](Cc2cscn2)CC1 ZINC000301318533 854357449 /nfs/dbraw/zinc/35/74/49/854357449.db2.gz PVVJVJGYENXDTA-UHFFFAOYSA-N 2 2 403.349 4.166 20 0 HIADLP Brc1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000301318533 854357460 /nfs/dbraw/zinc/35/74/60/854357460.db2.gz PVVJVJGYENXDTA-UHFFFAOYSA-N 2 2 403.349 4.166 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000301446397 854397284 /nfs/dbraw/zinc/39/72/84/854397284.db2.gz YSASLAFTOCKLGM-MSOLQXFVSA-N 2 2 407.587 4.093 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000301446397 854397290 /nfs/dbraw/zinc/39/72/90/854397290.db2.gz YSASLAFTOCKLGM-MSOLQXFVSA-N 2 2 407.587 4.093 20 0 HIADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(Br)c1O ZINC000379624880 855423968 /nfs/dbraw/zinc/42/39/68/855423968.db2.gz KDAXGUWVSHMGFO-CRAIPNDOSA-N 2 2 419.363 4.306 20 0 HIADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(Br)c1O ZINC000379624880 855423972 /nfs/dbraw/zinc/42/39/72/855423972.db2.gz KDAXGUWVSHMGFO-CRAIPNDOSA-N 2 2 419.363 4.306 20 0 HIADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Br)cs1 ZINC000390846814 855457009 /nfs/dbraw/zinc/45/70/09/855457009.db2.gz FRLRWUIAYKWQHE-YJBOKZPZSA-N 2 2 409.393 4.452 20 0 HIADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Br)cs1 ZINC000390846814 855457016 /nfs/dbraw/zinc/45/70/16/855457016.db2.gz FRLRWUIAYKWQHE-YJBOKZPZSA-N 2 2 409.393 4.452 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000398016334 855474085 /nfs/dbraw/zinc/47/40/85/855474085.db2.gz HBPUQAOLYUIQDX-KXBFYZLASA-N 2 2 418.335 4.358 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000398016334 855474090 /nfs/dbraw/zinc/47/40/90/855474090.db2.gz HBPUQAOLYUIQDX-KXBFYZLASA-N 2 2 418.335 4.358 20 0 HIADLP C[C@@H](Oc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1)c1ccccc1 ZINC000409472748 855498768 /nfs/dbraw/zinc/49/87/68/855498768.db2.gz ZWPYZZOOSKTRAB-HXUWFJFHSA-N 2 2 421.585 4.115 20 0 HIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000410411424 855982192 /nfs/dbraw/zinc/98/21/92/855982192.db2.gz OUUIRGZYYDJUIU-SFTDATJTSA-N 2 2 416.569 4.339 20 0 HIADLP C[N@H+](CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CCCCC1 ZINC000426037913 856063334 /nfs/dbraw/zinc/06/33/34/856063334.db2.gz XBIHZAOVYCUFHB-DHIUTWEWSA-N 2 2 409.578 4.066 20 0 HIADLP C[N@@H+](CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CCCCC1 ZINC000426037913 856063344 /nfs/dbraw/zinc/06/33/44/856063344.db2.gz XBIHZAOVYCUFHB-DHIUTWEWSA-N 2 2 409.578 4.066 20 0 HIADLP COc1ccc(CC[C@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1O ZINC000426172881 856153114 /nfs/dbraw/zinc/15/31/14/856153114.db2.gz QBIKFUOCGSRWMA-VQTJNVASSA-N 2 2 412.574 4.212 20 0 HIADLP COCC[N@H+](Cc1cc(Br)cs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426390695 856271088 /nfs/dbraw/zinc/27/10/88/856271088.db2.gz LPFKDRZZWNDQMM-UHFFFAOYSA-N 2 2 412.378 4.406 20 0 HIADLP COCC[N@@H+](Cc1cc(Br)cs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426390695 856271092 /nfs/dbraw/zinc/27/10/92/856271092.db2.gz LPFKDRZZWNDQMM-UHFFFAOYSA-N 2 2 412.378 4.406 20 0 HIADLP C[N@H+](Cc1cc(F)cc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427025860 856601200 /nfs/dbraw/zinc/60/12/00/856601200.db2.gz GBUCWNFQPXKNGI-UHFFFAOYSA-N 2 2 406.343 4.122 20 0 HIADLP C[N@@H+](Cc1cc(F)cc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427025860 856601204 /nfs/dbraw/zinc/60/12/04/856601204.db2.gz GBUCWNFQPXKNGI-UHFFFAOYSA-N 2 2 406.343 4.122 20 0 HIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CCS2 ZINC000427593725 856881092 /nfs/dbraw/zinc/88/10/92/856881092.db2.gz LZSZTDUYKKOYSM-QFIPXVFZSA-N 2 2 409.599 4.018 20 0 HIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCS2 ZINC000427605938 856886299 /nfs/dbraw/zinc/88/62/99/856886299.db2.gz FJVMEIORYLKFRL-QHCPKHFHSA-N 2 2 412.599 4.341 20 0 HIADLP Fc1ccccc1[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000427865888 856987211 /nfs/dbraw/zinc/98/72/11/856987211.db2.gz OGZGOKWSAKKHDP-OXQOHEQNSA-N 2 2 400.295 4.479 20 0 HIADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCN(c5cccc[nH+]5)CC4)[C@@H]3C2)cc1 ZINC000428243435 857123948 /nfs/dbraw/zinc/12/39/48/857123948.db2.gz BTXPUQPNLDRGHG-ICDZXHCJSA-N 3 2 404.602 4.331 20 0 HIADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]C4CCN(c5cccc[nH+]5)CC4)[C@@H]3C2)cc1 ZINC000428243435 857123953 /nfs/dbraw/zinc/12/39/53/857123953.db2.gz BTXPUQPNLDRGHG-ICDZXHCJSA-N 3 2 404.602 4.331 20 0 HIADLP Cc1ccc(Oc2ccccc2NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000437566176 862889358 /nfs/dbraw/zinc/88/93/58/862889358.db2.gz DXZHTHLYSQKGLE-UHFFFAOYSA-N 2 2 410.562 4.277 20 0 HIADLP Cc1ccc(Oc2ccccc2NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000437566176 862889364 /nfs/dbraw/zinc/88/93/64/862889364.db2.gz DXZHTHLYSQKGLE-UHFFFAOYSA-N 2 2 410.562 4.277 20 0 HIADLP Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000428553996 857263983 /nfs/dbraw/zinc/26/39/83/857263983.db2.gz ZECNEVJWGPXWES-JOCHJYFZSA-N 2 2 410.949 4.111 20 0 HIADLP Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000428553996 857263997 /nfs/dbraw/zinc/26/39/97/857263997.db2.gz ZECNEVJWGPXWES-JOCHJYFZSA-N 2 2 410.949 4.111 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000428607279 857277052 /nfs/dbraw/zinc/27/70/52/857277052.db2.gz NRTDPDPVWQKDLI-HXUWFJFHSA-N 2 2 411.594 4.093 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000428767045 857325934 /nfs/dbraw/zinc/32/59/34/857325934.db2.gz JNJHLVWQZZFMFZ-WOJBJXKFSA-N 2 2 423.605 4.039 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429694483 857838445 /nfs/dbraw/zinc/83/84/45/857838445.db2.gz BSXIRAPMFCRLSB-MHZLTWQESA-N 3 2 421.629 4.122 20 0 HIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429694483 857838448 /nfs/dbraw/zinc/83/84/48/857838448.db2.gz BSXIRAPMFCRLSB-MHZLTWQESA-N 3 2 421.629 4.122 20 0 HIADLP C[NH+](Cc1ccccc1)CC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429694483 857838450 /nfs/dbraw/zinc/83/84/50/857838450.db2.gz BSXIRAPMFCRLSB-MHZLTWQESA-N 3 2 421.629 4.122 20 0 HIADLP C[NH+](Cc1ccccc1)CC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429694483 857838451 /nfs/dbraw/zinc/83/84/51/857838451.db2.gz BSXIRAPMFCRLSB-MHZLTWQESA-N 3 2 421.629 4.122 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000429709713 857844910 /nfs/dbraw/zinc/84/49/10/857844910.db2.gz ADNXVHJPWBLDNZ-IBGZPJMESA-N 2 2 403.526 4.264 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000429799727 857889723 /nfs/dbraw/zinc/88/97/23/857889723.db2.gz GJHBGOWMAPQCJK-UIAACRFSSA-N 2 2 412.405 4.319 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000429799727 857889725 /nfs/dbraw/zinc/88/97/25/857889725.db2.gz GJHBGOWMAPQCJK-UIAACRFSSA-N 2 2 412.405 4.319 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000429799727 857889726 /nfs/dbraw/zinc/88/97/26/857889726.db2.gz GJHBGOWMAPQCJK-UIAACRFSSA-N 2 2 412.405 4.319 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000429799727 857889727 /nfs/dbraw/zinc/88/97/27/857889727.db2.gz GJHBGOWMAPQCJK-UIAACRFSSA-N 2 2 412.405 4.319 20 0 HIADLP C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000429935210 857957694 /nfs/dbraw/zinc/95/76/94/857957694.db2.gz ARKJXLSXOQTKHY-UHFFFAOYSA-N 2 2 407.518 4.075 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430118473 858040151 /nfs/dbraw/zinc/04/01/51/858040151.db2.gz FEQLUPZHMLSNCG-NRFANRHFSA-N 2 2 417.395 4.286 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430118473 858040156 /nfs/dbraw/zinc/04/01/56/858040156.db2.gz FEQLUPZHMLSNCG-NRFANRHFSA-N 2 2 417.395 4.286 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430118473 858040161 /nfs/dbraw/zinc/04/01/61/858040161.db2.gz FEQLUPZHMLSNCG-NRFANRHFSA-N 2 2 417.395 4.286 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430118473 858040165 /nfs/dbraw/zinc/04/01/65/858040165.db2.gz FEQLUPZHMLSNCG-NRFANRHFSA-N 2 2 417.395 4.286 20 0 HIADLP Cc1oc(-c2ccccc2)nc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430910765 858366724 /nfs/dbraw/zinc/36/67/24/858366724.db2.gz XPQUAJPTOQCRGI-UHFFFAOYSA-N 3 2 410.606 4.278 20 0 HIADLP Cc1oc(-c2ccccc2)nc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430910765 858366730 /nfs/dbraw/zinc/36/67/30/858366730.db2.gz XPQUAJPTOQCRGI-UHFFFAOYSA-N 3 2 410.606 4.278 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1coc(-c2cccc(F)c2)n1 ZINC000430914300 858368156 /nfs/dbraw/zinc/36/81/56/858368156.db2.gz IZMLDHJZJPAPRM-UHFFFAOYSA-N 3 2 414.569 4.109 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1coc(-c2cccc(F)c2)n1 ZINC000430914300 858368163 /nfs/dbraw/zinc/36/81/63/858368163.db2.gz IZMLDHJZJPAPRM-UHFFFAOYSA-N 3 2 414.569 4.109 20 0 HIADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000431215996 858508777 /nfs/dbraw/zinc/50/87/77/858508777.db2.gz KKINMTYOKUWCGH-RRPUWOKSSA-N 2 2 416.610 4.102 20 0 HIADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000431323878 858565448 /nfs/dbraw/zinc/56/54/48/858565448.db2.gz QVDQPUDKJDTFEW-XMMPIXPASA-N 2 2 421.585 4.201 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2)C1 ZINC000431756128 858791516 /nfs/dbraw/zinc/79/15/16/858791516.db2.gz FJKXJFBZKCBORU-OAQYLSRUSA-N 2 2 416.569 4.022 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2)C1 ZINC000431756128 858791525 /nfs/dbraw/zinc/79/15/25/858791525.db2.gz FJKXJFBZKCBORU-OAQYLSRUSA-N 2 2 416.569 4.022 20 0 HIADLP Brc1cccc(C2CC([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000432408320 859149812 /nfs/dbraw/zinc/14/98/12/859149812.db2.gz AZUZNIPVVWTQKD-UHFFFAOYSA-N 2 2 415.375 4.317 20 0 HIADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H](C)c3nc(Cc4ccc(F)cc4)no3)C1)CCCC2 ZINC000434501921 860376690 /nfs/dbraw/zinc/37/66/90/860376690.db2.gz IFTRSKJTGMAVTH-DNVCBOLYSA-N 2 2 409.509 4.191 20 0 HIADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](C)c3nc(Cc4ccc(F)cc4)no3)C1)CCCC2 ZINC000434501921 860376700 /nfs/dbraw/zinc/37/67/00/860376700.db2.gz IFTRSKJTGMAVTH-DNVCBOLYSA-N 2 2 409.509 4.191 20 0 HIADLP C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434673707 860454640 /nfs/dbraw/zinc/45/46/40/860454640.db2.gz FFXZANMTAMRDSB-OAHLLOKOSA-N 2 2 409.559 4.036 20 0 HIADLP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434682734 860458367 /nfs/dbraw/zinc/45/83/67/860458367.db2.gz DFHDROYPDFVLRB-AUSIDOKSSA-N 2 2 408.590 4.445 20 0 HIADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434685286 860459258 /nfs/dbraw/zinc/45/92/58/860459258.db2.gz NILGVDYQSUKOIH-RTBURBONSA-N 2 2 408.590 4.227 20 0 HIADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686605 860460673 /nfs/dbraw/zinc/46/06/73/860460673.db2.gz AFPQVCGPWXCMLF-INIZCTEOSA-N 2 2 400.954 4.388 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689000 860461825 /nfs/dbraw/zinc/46/18/25/860461825.db2.gz RUNZOBWRYFAXQN-XLIONFOSSA-N 2 2 412.603 4.213 20 0 HIADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689671 860462963 /nfs/dbraw/zinc/46/29/63/860462963.db2.gz XIDSEANGJUTSDO-CQSZACIVSA-N 2 2 404.917 4.219 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434736915 860476509 /nfs/dbraw/zinc/47/65/09/860476509.db2.gz NOWMJYCGQRZZJJ-FQEVSTJZSA-N 2 2 420.601 4.226 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000467843436 881686562 /nfs/dbraw/zinc/68/65/62/881686562.db2.gz ITSGQQYSUXWBOJ-KRWDZBQOSA-N 2 2 408.464 4.267 20 0 HIADLP Cc1cc(OCc2ccccc2)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000438506944 863929730 /nfs/dbraw/zinc/92/97/30/863929730.db2.gz HSBAFURXWSDBCK-UHFFFAOYSA-N 2 2 424.589 4.064 20 0 HIADLP Cc1cc(OCc2ccccc2)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000438506944 863929754 /nfs/dbraw/zinc/92/97/54/863929754.db2.gz HSBAFURXWSDBCK-UHFFFAOYSA-N 2 2 424.589 4.064 20 0 HIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000439598203 864920734 /nfs/dbraw/zinc/92/07/34/864920734.db2.gz PJOPCFZGGKNVTJ-XMMPIXPASA-N 2 2 421.516 4.160 20 0 HIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000439598203 864920742 /nfs/dbraw/zinc/92/07/42/864920742.db2.gz PJOPCFZGGKNVTJ-XMMPIXPASA-N 2 2 421.516 4.160 20 0 HIADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440163987 865393723 /nfs/dbraw/zinc/39/37/23/865393723.db2.gz MXPSZWQRUPMLGS-FQEVSTJZSA-N 2 2 410.587 4.047 20 0 HIADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440163987 865393740 /nfs/dbraw/zinc/39/37/40/865393740.db2.gz MXPSZWQRUPMLGS-FQEVSTJZSA-N 2 2 410.587 4.047 20 0 HIADLP O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440163987 865393757 /nfs/dbraw/zinc/39/37/57/865393757.db2.gz MXPSZWQRUPMLGS-FQEVSTJZSA-N 2 2 410.587 4.047 20 0 HIADLP O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440163987 865393775 /nfs/dbraw/zinc/39/37/75/865393775.db2.gz MXPSZWQRUPMLGS-FQEVSTJZSA-N 2 2 410.587 4.047 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCCC[NH+]2CCCCC2)c(C)c1 ZINC000440783790 865910361 /nfs/dbraw/zinc/91/03/61/865910361.db2.gz QIXYQKDEJXGDCX-HSZRJFAPSA-N 2 2 411.594 4.197 20 0 HIADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441371051 866438984 /nfs/dbraw/zinc/43/89/84/866438984.db2.gz JTSKWKZNAFSMMY-MBSDFSHPSA-N 2 2 404.514 4.061 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)c(C)c1 ZINC000441381500 866452253 /nfs/dbraw/zinc/45/22/53/866452253.db2.gz ISWHFNLFFQQLNH-XXBNENTESA-N 2 2 408.521 4.017 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2C)c(C)c1 ZINC000441385275 866458139 /nfs/dbraw/zinc/45/81/39/866458139.db2.gz NHYIMFRIFKRLJQ-XUZZJYLKSA-N 2 2 404.558 4.186 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000441390645 866462714 /nfs/dbraw/zinc/46/27/14/866462714.db2.gz YAOBHMIVGXAPND-GQYAZPTLSA-N 2 2 420.601 4.304 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441404755 866478182 /nfs/dbraw/zinc/47/81/82/866478182.db2.gz JMJHBOYMTIZICG-JHMXWDHMSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441404755 866478198 /nfs/dbraw/zinc/47/81/98/866478198.db2.gz JMJHBOYMTIZICG-JHMXWDHMSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441404755 866478211 /nfs/dbraw/zinc/47/82/11/866478211.db2.gz JMJHBOYMTIZICG-JHMXWDHMSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441404755 866478223 /nfs/dbraw/zinc/47/82/23/866478223.db2.gz JMJHBOYMTIZICG-JHMXWDHMSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417213 866491775 /nfs/dbraw/zinc/49/17/75/866491775.db2.gz FZFXIFXZYZTQPJ-MDOVXXIYSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417213 866491788 /nfs/dbraw/zinc/49/17/88/866491788.db2.gz FZFXIFXZYZTQPJ-MDOVXXIYSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417213 866491792 /nfs/dbraw/zinc/49/17/92/866491792.db2.gz FZFXIFXZYZTQPJ-MDOVXXIYSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417213 866491801 /nfs/dbraw/zinc/49/18/01/866491801.db2.gz FZFXIFXZYZTQPJ-MDOVXXIYSA-N 2 2 410.389 4.119 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2cccc(OCC[NH+](C)C)c2)c(C)c1 ZINC000442193823 867215639 /nfs/dbraw/zinc/21/56/39/867215639.db2.gz IYMIOXTZBDNECE-HSZRJFAPSA-N 2 2 421.545 4.003 20 0 HIADLP CC[NH+](CC)CC1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000442233133 867268521 /nfs/dbraw/zinc/26/85/21/867268521.db2.gz BNKNYVBRZZINKU-HSZRJFAPSA-N 2 2 411.594 4.005 20 0 HIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000443007358 867791314 /nfs/dbraw/zinc/79/13/14/867791314.db2.gz NKWZUQODWZSMSV-UHFFFAOYSA-N 2 2 408.464 4.015 20 0 HIADLP Cc1cc(Cl)c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000443944490 868480993 /nfs/dbraw/zinc/48/09/93/868480993.db2.gz UGQXYLUZEVQLOT-UHFFFAOYSA-N 2 2 413.393 4.374 20 0 HIADLP COc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(OCc2cccnc2)c1 ZINC000443980927 868507840 /nfs/dbraw/zinc/50/78/40/868507840.db2.gz ODJYKRGOJGWAOC-UHFFFAOYSA-N 2 2 400.482 4.145 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444793308 869010742 /nfs/dbraw/zinc/01/07/42/869010742.db2.gz OWRKBPHSVLDTJZ-FPOVZHCZSA-N 2 2 418.541 4.206 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444793308 869010761 /nfs/dbraw/zinc/01/07/61/869010761.db2.gz OWRKBPHSVLDTJZ-FPOVZHCZSA-N 2 2 418.541 4.206 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000446595252 870502803 /nfs/dbraw/zinc/50/28/03/870502803.db2.gz VBXAQSIGQCROEV-GOTSBHOMSA-N 2 2 403.530 4.038 20 0 HIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)cc1F ZINC000446937768 870848334 /nfs/dbraw/zinc/84/83/34/870848334.db2.gz SWBGJEDBLLHRHO-CJNGLKHVSA-N 2 2 407.331 4.297 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000447071595 870953649 /nfs/dbraw/zinc/95/36/49/870953649.db2.gz AHZIXGLRJMUBFI-UHFFFAOYSA-N 2 2 415.331 4.472 20 0 HIADLP Cn1cc([C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccc(F)cc2)cn1 ZINC000447599651 871505798 /nfs/dbraw/zinc/50/57/98/871505798.db2.gz KHEUKXPBICKCHC-ZFFYZDHPSA-N 2 2 404.533 4.434 20 0 HIADLP Cn1cc([C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccc(F)cc2)cn1 ZINC000447599651 871505827 /nfs/dbraw/zinc/50/58/27/871505827.db2.gz KHEUKXPBICKCHC-ZFFYZDHPSA-N 2 2 404.533 4.434 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000460484537 873171469 /nfs/dbraw/zinc/17/14/69/873171469.db2.gz GDQJYNBGHBYBPR-RPWUZVMVSA-N 2 2 405.586 4.010 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000460486057 873172940 /nfs/dbraw/zinc/17/29/40/873172940.db2.gz FLLQOKJTVILKAC-WOJBJXKFSA-N 2 2 424.416 4.163 20 0 HIADLP CN(c1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000468673926 882803546 /nfs/dbraw/zinc/80/35/46/882803546.db2.gz HRYLROLLEYUYBL-XMMPIXPASA-N 2 2 413.993 4.444 20 0 HIADLP CN(c1ccccc1C[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000468673926 882803552 /nfs/dbraw/zinc/80/35/52/882803552.db2.gz HRYLROLLEYUYBL-XMMPIXPASA-N 2 2 413.993 4.444 20 0 HIADLP COc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000462683320 875776963 /nfs/dbraw/zinc/77/69/63/875776963.db2.gz ZCKFNSHFPYLQKJ-UHFFFAOYSA-N 2 2 401.982 4.036 20 0 HIADLP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)CC1 ZINC000462688642 875779429 /nfs/dbraw/zinc/77/94/29/875779429.db2.gz TZVCMNIXBRRBHH-UHFFFAOYSA-N 2 2 417.544 4.332 20 0 HIADLP Cc1cc(C[NH2+][C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)ccc1-n1cncn1 ZINC000462747333 875815472 /nfs/dbraw/zinc/81/54/72/875815472.db2.gz CZLJUCYGMYZPJF-DEOSSOPVSA-N 2 2 403.574 4.138 20 0 HIADLP Cc1cc(C[NH2+][C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)ccc1-n1cncn1 ZINC000462747333 875815474 /nfs/dbraw/zinc/81/54/74/875815474.db2.gz CZLJUCYGMYZPJF-DEOSSOPVSA-N 2 2 403.574 4.138 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)c2)CCO1 ZINC000463080978 876112518 /nfs/dbraw/zinc/11/25/18/876112518.db2.gz HFPYIMOXPUJOEL-VRUMLPLGSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)c2)CCO1 ZINC000463080978 876112526 /nfs/dbraw/zinc/11/25/26/876112526.db2.gz HFPYIMOXPUJOEL-VRUMLPLGSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)c2)CCO1 ZINC000463080978 876112534 /nfs/dbraw/zinc/11/25/34/876112534.db2.gz HFPYIMOXPUJOEL-VRUMLPLGSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)c2)CCO1 ZINC000463080978 876112542 /nfs/dbraw/zinc/11/25/42/876112542.db2.gz HFPYIMOXPUJOEL-VRUMLPLGSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)c2)CCO1 ZINC000463080978 876112549 /nfs/dbraw/zinc/11/25/49/876112549.db2.gz HFPYIMOXPUJOEL-VRUMLPLGSA-N 2 2 407.602 4.050 20 0 HIADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)c2)CCO1 ZINC000463080978 876112557 /nfs/dbraw/zinc/11/25/57/876112557.db2.gz HFPYIMOXPUJOEL-VRUMLPLGSA-N 2 2 407.602 4.050 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000463116899 876157904 /nfs/dbraw/zinc/15/79/04/876157904.db2.gz QJKBBKVURLFPSQ-DPLHUUCSSA-N 3 2 424.608 4.281 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000463116899 876157913 /nfs/dbraw/zinc/15/79/13/876157913.db2.gz QJKBBKVURLFPSQ-DPLHUUCSSA-N 3 2 424.608 4.281 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccccc1 ZINC000463696695 876816687 /nfs/dbraw/zinc/81/66/87/876816687.db2.gz JKLGUNXOVIBZCW-QFIPXVFZSA-N 2 2 403.530 4.311 20 0 HIADLP CC(C)C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccs1 ZINC000465710672 879277693 /nfs/dbraw/zinc/27/76/93/879277693.db2.gz ACJZTDYYSSYOTC-LJQANCHMSA-N 2 2 406.640 4.085 20 0 HIADLP Ic1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503443098 912463028 /nfs/dbraw/zinc/46/30/28/912463028.db2.gz VTLALHRMSMMSJE-MRXNPFEDSA-N 2 2 421.326 4.204 20 0 HIADLP Ic1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503443098 912463039 /nfs/dbraw/zinc/46/30/39/912463039.db2.gz VTLALHRMSMMSJE-MRXNPFEDSA-N 2 2 421.326 4.204 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000465971778 879640831 /nfs/dbraw/zinc/64/08/31/879640831.db2.gz HMMYTQNPZKZECA-OAQYLSRUSA-N 2 2 423.045 4.485 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000465971778 879640838 /nfs/dbraw/zinc/64/08/38/879640838.db2.gz HMMYTQNPZKZECA-OAQYLSRUSA-N 2 2 423.045 4.485 20 0 HIADLP CC[C@H](C)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466076630 879786103 /nfs/dbraw/zinc/78/61/03/879786103.db2.gz ONCZOXFRRVSDLA-LAUBAEHRSA-N 2 2 409.018 4.095 20 0 HIADLP CC[C@H](C)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466076630 879786119 /nfs/dbraw/zinc/78/61/19/879786119.db2.gz ONCZOXFRRVSDLA-LAUBAEHRSA-N 2 2 409.018 4.095 20 0 HIADLP CC[C@@H](C)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466076631 879787718 /nfs/dbraw/zinc/78/77/18/879787718.db2.gz ONCZOXFRRVSDLA-UTKZUKDTSA-N 2 2 409.018 4.095 20 0 HIADLP CC[C@@H](C)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000466076631 879787728 /nfs/dbraw/zinc/78/77/28/879787728.db2.gz ONCZOXFRRVSDLA-UTKZUKDTSA-N 2 2 409.018 4.095 20 0 HIADLP Cc1ccc([C@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1C ZINC000466142752 879852517 /nfs/dbraw/zinc/85/25/17/879852517.db2.gz JLLQGOHVBUUGDJ-HSZRJFAPSA-N 2 2 412.622 4.100 20 0 HIADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000466157377 879861933 /nfs/dbraw/zinc/86/19/33/879861933.db2.gz MGPHFLHJERUJAE-OAQYLSRUSA-N 2 2 419.013 4.137 20 0 HIADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000466158877 879862544 /nfs/dbraw/zinc/86/25/44/879862544.db2.gz SJHKYOOJJKNAAY-OAQYLSRUSA-N 2 2 419.013 4.137 20 0 HIADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000469518056 883781931 /nfs/dbraw/zinc/78/19/31/883781931.db2.gz YQGCCLNBTHPITG-FQEVSTJZSA-N 2 2 411.512 4.221 20 0 HIADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000469518056 883781960 /nfs/dbraw/zinc/78/19/60/883781960.db2.gz YQGCCLNBTHPITG-FQEVSTJZSA-N 2 2 411.512 4.221 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000469773238 883947637 /nfs/dbraw/zinc/94/76/37/883947637.db2.gz WLFPMQVJQIAXIH-KHYOSLBOSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000469773238 883947642 /nfs/dbraw/zinc/94/76/42/883947642.db2.gz WLFPMQVJQIAXIH-KHYOSLBOSA-N 2 2 416.393 4.047 20 0 HIADLP CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000469775273 883951553 /nfs/dbraw/zinc/95/15/53/883951553.db2.gz KALQNWQIOWRFTH-RLBLXZPPSA-N 2 2 411.594 4.241 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[C@H](C)C1 ZINC000469787527 883963443 /nfs/dbraw/zinc/96/34/43/883963443.db2.gz UPHGNOKJFAEJRZ-HBFSDRIKSA-N 2 2 410.002 4.010 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[C@H](C)C1 ZINC000469787527 883963451 /nfs/dbraw/zinc/96/34/51/883963451.db2.gz UPHGNOKJFAEJRZ-HBFSDRIKSA-N 2 2 410.002 4.010 20 0 HIADLP COc1ccc(C[C@@H](C)CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1F ZINC000470250593 884584993 /nfs/dbraw/zinc/58/49/93/884584993.db2.gz NMJIKJDJJVMRSH-QGZVFWFLSA-N 2 2 400.542 4.050 20 0 HIADLP C[N@H+](CCOc1ccccc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471167493 885723572 /nfs/dbraw/zinc/72/35/72/885723572.db2.gz CDVLYCZYBWHCEP-UHFFFAOYSA-N 2 2 407.480 4.118 20 0 HIADLP C[N@@H+](CCOc1ccccc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471167493 885723583 /nfs/dbraw/zinc/72/35/83/885723583.db2.gz CDVLYCZYBWHCEP-UHFFFAOYSA-N 2 2 407.480 4.118 20 0 HIADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000471412568 886067310 /nfs/dbraw/zinc/06/73/10/886067310.db2.gz IKIPVAZJOIJCCJ-INIZCTEOSA-N 2 2 412.405 4.163 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1cn(-c2ccccc2)nn1 ZINC000471668639 886381135 /nfs/dbraw/zinc/38/11/35/886381135.db2.gz LDMVPZNDOBUHIZ-IBGZPJMESA-N 2 2 401.514 4.343 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cn(-c2ccccc2)nn1 ZINC000471668639 886381157 /nfs/dbraw/zinc/38/11/57/886381157.db2.gz LDMVPZNDOBUHIZ-IBGZPJMESA-N 2 2 401.514 4.343 20 0 HIADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1ccccc1C(F)(F)F ZINC000471898465 886680876 /nfs/dbraw/zinc/68/08/76/886680876.db2.gz KIEOUYVMLPQPPQ-IBGZPJMESA-N 2 2 409.496 4.197 20 0 HIADLP CC[N@@H+](Cc1nnc(Cc2ccccc2C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472582146 887463805 /nfs/dbraw/zinc/46/38/05/887463805.db2.gz PMSLEEYMNKQCPK-UHFFFAOYSA-N 2 2 405.546 4.102 20 0 HIADLP CC[N@H+](Cc1nnc(Cc2ccccc2C)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000472582146 887463811 /nfs/dbraw/zinc/46/38/11/887463811.db2.gz PMSLEEYMNKQCPK-UHFFFAOYSA-N 2 2 405.546 4.102 20 0 HIADLP c1csc([C@H]2C[NH+](CCCCC[N@@H+]3CCO[C@@H](c4cccs4)C3)CCO2)c1 ZINC000472826054 887671889 /nfs/dbraw/zinc/67/18/89/887671889.db2.gz GCYOHLSJTDEIFB-RTBURBONSA-N 2 2 406.617 4.427 20 0 HIADLP c1csc([C@H]2C[NH+](CCCCC[N@H+]3CCO[C@@H](c4cccs4)C3)CCO2)c1 ZINC000472826054 887671901 /nfs/dbraw/zinc/67/19/01/887671901.db2.gz GCYOHLSJTDEIFB-RTBURBONSA-N 2 2 406.617 4.427 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1C ZINC000474510298 889373917 /nfs/dbraw/zinc/37/39/17/889373917.db2.gz JXJDPQUZVUXFSR-RTBURBONSA-N 2 2 424.589 4.005 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2Br)C[C@H](C)O1 ZINC000474617808 889482308 /nfs/dbraw/zinc/48/23/08/889482308.db2.gz VYMYIOJSGUBXOA-IYBDPMFKSA-N 2 2 421.354 4.487 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2Br)C[C@H](C)O1 ZINC000474617808 889482313 /nfs/dbraw/zinc/48/23/13/889482313.db2.gz VYMYIOJSGUBXOA-IYBDPMFKSA-N 2 2 421.354 4.487 20 0 HIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000475189357 890059001 /nfs/dbraw/zinc/05/90/01/890059001.db2.gz AHNXWQNKALVZJH-QTEQDKRBSA-N 2 2 412.574 4.077 20 0 HIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000475189357 890059019 /nfs/dbraw/zinc/05/90/19/890059019.db2.gz AHNXWQNKALVZJH-QTEQDKRBSA-N 2 2 412.574 4.077 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000475318211 890235456 /nfs/dbraw/zinc/23/54/56/890235456.db2.gz PEMJHGOIUXPGDY-ZWKOTPCHSA-N 2 2 421.029 4.032 20 0 HIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000475629676 890568343 /nfs/dbraw/zinc/56/83/43/890568343.db2.gz YOZCXNDHYNUIQW-MRXNPFEDSA-N 2 2 423.317 4.354 20 0 HIADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476317662 891226047 /nfs/dbraw/zinc/22/60/47/891226047.db2.gz YQJSCDTVDAYXJP-INIZCTEOSA-N 2 2 418.532 4.126 20 0 HIADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476317662 891226062 /nfs/dbraw/zinc/22/60/62/891226062.db2.gz YQJSCDTVDAYXJP-INIZCTEOSA-N 2 2 418.532 4.126 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nc(C)c(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000477287476 892244421 /nfs/dbraw/zinc/24/44/21/892244421.db2.gz PRSCLSZNDFSRAV-PXNSSMCTSA-N 2 2 402.970 4.076 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3nc(C)c(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000477287476 892244445 /nfs/dbraw/zinc/24/44/45/892244445.db2.gz PRSCLSZNDFSRAV-PXNSSMCTSA-N 2 2 402.970 4.076 20 0 HIADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2Oc2ccccc2)CC1 ZINC000478234559 893395371 /nfs/dbraw/zinc/39/53/71/893395371.db2.gz RMPCZEKVJZVXGW-UHFFFAOYSA-N 2 2 415.965 4.165 20 0 HIADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccco1 ZINC000479019439 894285500 /nfs/dbraw/zinc/28/55/00/894285500.db2.gz PYFKWNDXAUAZSF-DYESRHJHSA-N 2 2 419.529 4.446 20 0 HIADLP COCCOc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000479505164 894820706 /nfs/dbraw/zinc/82/07/06/894820706.db2.gz RKCYOOXONXDFDQ-VNCLNFNDSA-N 2 2 400.485 4.168 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000479536435 894841199 /nfs/dbraw/zinc/84/11/99/894841199.db2.gz LLYSFKVHROZLRN-FQEVSTJZSA-N 2 2 409.578 4.058 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000479536435 894841205 /nfs/dbraw/zinc/84/12/05/894841205.db2.gz LLYSFKVHROZLRN-FQEVSTJZSA-N 2 2 409.578 4.058 20 0 HIADLP CN(C(=O)NCc1ccc(C2CC2)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000479592779 894875416 /nfs/dbraw/zinc/87/54/16/894875416.db2.gz NYPGQACSRNFYPJ-BJKOFHAPSA-N 2 2 412.622 4.043 20 0 HIADLP CN(C(=O)NCc1ccc(C2CC2)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000479592779 894875420 /nfs/dbraw/zinc/87/54/20/894875420.db2.gz NYPGQACSRNFYPJ-BJKOFHAPSA-N 2 2 412.622 4.043 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1Br ZINC000479885231 895229874 /nfs/dbraw/zinc/22/98/74/895229874.db2.gz DWBNYOMLLHPJQI-HNNXBMFYSA-N 2 2 407.327 4.271 20 0 HIADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)CC1 ZINC000480158333 895544620 /nfs/dbraw/zinc/54/46/20/895544620.db2.gz ITSGRCRFNKECPF-LJQANCHMSA-N 2 2 421.651 4.213 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000480363272 895769212 /nfs/dbraw/zinc/76/92/12/895769212.db2.gz LWICBIHQBVXXIM-LAUBAEHRSA-N 2 2 407.480 4.161 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000480363272 895769238 /nfs/dbraw/zinc/76/92/38/895769238.db2.gz LWICBIHQBVXXIM-LAUBAEHRSA-N 2 2 407.480 4.161 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000480601294 895963910 /nfs/dbraw/zinc/96/39/10/895963910.db2.gz MTOYVHHUUITPKV-UFPGJGBJSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000480601294 895963914 /nfs/dbraw/zinc/96/39/14/895963914.db2.gz MTOYVHHUUITPKV-UFPGJGBJSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000480601294 895963921 /nfs/dbraw/zinc/96/39/21/895963921.db2.gz MTOYVHHUUITPKV-UFPGJGBJSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000480601294 895963931 /nfs/dbraw/zinc/96/39/31/895963931.db2.gz MTOYVHHUUITPKV-UFPGJGBJSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000480644308 896012381 /nfs/dbraw/zinc/01/23/81/896012381.db2.gz PEDZKVJLXBANBI-AWEZNQCLSA-N 2 2 424.347 4.371 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000480762779 896124160 /nfs/dbraw/zinc/12/41/60/896124160.db2.gz LFVGIRLUHBDFHF-WTIAFYNJSA-N 2 2 408.030 4.204 20 0 HIADLP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000480762779 896124172 /nfs/dbraw/zinc/12/41/72/896124172.db2.gz LFVGIRLUHBDFHF-WTIAFYNJSA-N 2 2 408.030 4.204 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OCc2nccn2C)cc1 ZINC000480800508 896167796 /nfs/dbraw/zinc/16/77/96/896167796.db2.gz DTNOWGBZTCEKQZ-IBGZPJMESA-N 2 2 401.514 4.095 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000480886091 896242315 /nfs/dbraw/zinc/24/23/15/896242315.db2.gz XHBFMQULRZQXFV-DVECYGJZSA-N 2 2 406.574 4.211 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000480886091 896242330 /nfs/dbraw/zinc/24/23/30/896242330.db2.gz XHBFMQULRZQXFV-DVECYGJZSA-N 2 2 406.574 4.211 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)cc1Br ZINC000480896469 896252738 /nfs/dbraw/zinc/25/27/38/896252738.db2.gz CNNDEQKQOSSMAT-MRXNPFEDSA-N 2 2 420.370 4.186 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(F)cc1Br ZINC000480896469 896252754 /nfs/dbraw/zinc/25/27/54/896252754.db2.gz CNNDEQKQOSSMAT-MRXNPFEDSA-N 2 2 420.370 4.186 20 0 HIADLP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc(Cl)ccc1OC ZINC000480899642 896255294 /nfs/dbraw/zinc/25/52/94/896255294.db2.gz PYWRESDUQALQPL-QFIPXVFZSA-N 2 2 401.982 4.337 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000481017345 896347715 /nfs/dbraw/zinc/34/77/15/896347715.db2.gz CFXSEPGBMYFCCF-XXBNENTESA-N 2 2 413.993 4.283 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000481017345 896347734 /nfs/dbraw/zinc/34/77/34/896347734.db2.gz CFXSEPGBMYFCCF-XXBNENTESA-N 2 2 413.993 4.283 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481178109 896514600 /nfs/dbraw/zinc/51/46/00/896514600.db2.gz FTOWUJDLMZQZMY-JXFKEZNVSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481178109 896514612 /nfs/dbraw/zinc/51/46/12/896514612.db2.gz FTOWUJDLMZQZMY-JXFKEZNVSA-N 2 2 405.464 4.144 20 0 HIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481195865 896547989 /nfs/dbraw/zinc/54/79/89/896547989.db2.gz YMVYRINEAZQOKS-GOSISDBHSA-N 2 2 418.965 4.301 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000481210552 896563527 /nfs/dbraw/zinc/56/35/27/896563527.db2.gz WBVNSLHXLNEKET-KRWDZBQOSA-N 2 2 408.464 4.267 20 0 HIADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1OCc1ccccc1 ZINC000481214142 896568814 /nfs/dbraw/zinc/56/88/14/896568814.db2.gz NIQSHSURZWNOKD-NRFANRHFSA-N 2 2 416.569 4.263 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(Br)ccc1F ZINC000481308221 896655052 /nfs/dbraw/zinc/65/50/52/896655052.db2.gz FXQFVUROXVKNMN-OAHLLOKOSA-N 2 2 407.327 4.271 20 0 HIADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2ccccc12 ZINC000481395951 896802661 /nfs/dbraw/zinc/80/26/61/896802661.db2.gz AHUXMHWLIWIKCT-HXUWFJFHSA-N 2 2 420.553 4.410 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(OC(F)(F)F)c1 ZINC000481423714 896826431 /nfs/dbraw/zinc/82/64/31/896826431.db2.gz WDHVJTRUUKRLDB-QGZVFWFLSA-N 2 2 424.463 4.147 20 0 HIADLP O=C(CC[NH2+][C@@H]1CCCc2c3ccccc3sc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000482130008 897587435 /nfs/dbraw/zinc/58/74/35/897587435.db2.gz DFFZCSBZIOTKPB-HXUWFJFHSA-N 2 2 420.582 4.002 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000483188860 898847883 /nfs/dbraw/zinc/84/78/83/898847883.db2.gz XRUGPFPPGNCMMH-IIBYNOLFSA-N 2 2 420.370 4.416 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000483188860 898847885 /nfs/dbraw/zinc/84/78/85/898847885.db2.gz XRUGPFPPGNCMMH-IIBYNOLFSA-N 2 2 420.370 4.416 20 0 HIADLP Cc1cn2cc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc2[nH+]1 ZINC000483320724 898948109 /nfs/dbraw/zinc/94/81/09/898948109.db2.gz HZSHZBIMJRWZSS-UNMCSNQZSA-N 2 2 403.530 4.161 20 0 HIADLP Cc1cn2cc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccc2[nH+]1 ZINC000483320724 898948122 /nfs/dbraw/zinc/94/81/22/898948122.db2.gz HZSHZBIMJRWZSS-UNMCSNQZSA-N 2 2 403.530 4.161 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000484154978 899775582 /nfs/dbraw/zinc/77/55/82/899775582.db2.gz DJUJSEYREIHFNR-DYESRHJHSA-N 2 2 414.391 4.376 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000484154978 899775587 /nfs/dbraw/zinc/77/55/87/899775587.db2.gz DJUJSEYREIHFNR-DYESRHJHSA-N 2 2 414.391 4.376 20 0 HIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000484156499 899777362 /nfs/dbraw/zinc/77/73/62/899777362.db2.gz GDZBPRAFLFZNEC-VDGAXYAQSA-N 2 2 401.620 4.283 20 0 HIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000484156499 899777366 /nfs/dbraw/zinc/77/73/66/899777366.db2.gz GDZBPRAFLFZNEC-VDGAXYAQSA-N 2 2 401.620 4.283 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC(F)(F)F)cc1 ZINC000484159301 899779672 /nfs/dbraw/zinc/77/96/72/899779672.db2.gz KEQIQQPKSYLIDQ-RBDMOPTHSA-N 2 2 422.491 4.161 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC(F)(F)F)cc1 ZINC000484159301 899779679 /nfs/dbraw/zinc/77/96/79/899779679.db2.gz KEQIQQPKSYLIDQ-RBDMOPTHSA-N 2 2 422.491 4.161 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000484177311 899795018 /nfs/dbraw/zinc/79/50/18/899795018.db2.gz OSHBHYLSBNQLBP-NDXORKPFSA-N 2 2 405.369 4.453 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000484177311 899795029 /nfs/dbraw/zinc/79/50/29/899795029.db2.gz OSHBHYLSBNQLBP-NDXORKPFSA-N 2 2 405.369 4.453 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)nnn1-c1cccc(Cl)c1 ZINC000484178113 899796251 /nfs/dbraw/zinc/79/62/51/899796251.db2.gz QAWSMGZTPLFTRH-MRXNPFEDSA-N 2 2 410.953 4.252 20 0 HIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(-n2cccn2)cc1 ZINC000484182542 899798811 /nfs/dbraw/zinc/79/88/11/899798811.db2.gz WKGSUWPHYIOVBF-RTWAWAEBSA-N 2 2 404.558 4.423 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c[nH]c2ccccc21 ZINC000486156173 901343551 /nfs/dbraw/zinc/34/35/51/901343551.db2.gz JQTBHQCKDMNUOZ-UKDVSSAZSA-N 2 2 424.633 4.457 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c[nH]c2ccccc21 ZINC000486156173 901343558 /nfs/dbraw/zinc/34/35/58/901343558.db2.gz JQTBHQCKDMNUOZ-UKDVSSAZSA-N 2 2 424.633 4.457 20 0 HIADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486158375 901346495 /nfs/dbraw/zinc/34/64/95/901346495.db2.gz NEOVLHLTZKTAMY-YRXWBPOGSA-N 2 2 424.054 4.301 20 0 HIADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486158375 901346498 /nfs/dbraw/zinc/34/64/98/901346498.db2.gz NEOVLHLTZKTAMY-YRXWBPOGSA-N 2 2 424.054 4.301 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486830561 901882980 /nfs/dbraw/zinc/88/29/80/901882980.db2.gz ZIZULMPAHSWKQU-HYBUGGRVSA-N 2 2 403.530 4.070 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486830561 901882983 /nfs/dbraw/zinc/88/29/83/901882983.db2.gz ZIZULMPAHSWKQU-HYBUGGRVSA-N 2 2 403.530 4.070 20 0 HIADLP CC(C)[NH+]1CCC([NH+](C)Cc2ccccc2C[N@@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000487029489 902027787 /nfs/dbraw/zinc/02/77/87/902027787.db2.gz QEUAEWHRUVCTEA-UHFFFAOYSA-N 4 2 414.682 4.296 20 0 HIADLP CC(C)[NH+]1CCC([NH+](C)Cc2ccccc2C[N@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000487029489 902027790 /nfs/dbraw/zinc/02/77/90/902027790.db2.gz QEUAEWHRUVCTEA-UHFFFAOYSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+](CC)CC1CC[NH+](Cc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000488315027 902762190 /nfs/dbraw/zinc/76/21/90/902762190.db2.gz ZBEJBTHJQHBYET-UHFFFAOYSA-N 2 2 414.615 4.382 20 0 HIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccc2c1OCCO2 ZINC000506022881 914701768 /nfs/dbraw/zinc/70/17/68/914701768.db2.gz YNPRLWAHNWPVEO-UHFFFAOYSA-N 2 2 407.514 4.146 20 0 HIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc2c1OCCO2 ZINC000506022881 914701784 /nfs/dbraw/zinc/70/17/84/914701784.db2.gz YNPRLWAHNWPVEO-UHFFFAOYSA-N 2 2 407.514 4.146 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000489387903 903359094 /nfs/dbraw/zinc/35/90/94/903359094.db2.gz HXNUWHXBQPBNNI-SFTDATJTSA-N 2 2 408.590 4.194 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000489387903 903359103 /nfs/dbraw/zinc/35/91/03/903359103.db2.gz HXNUWHXBQPBNNI-SFTDATJTSA-N 2 2 408.590 4.194 20 0 HIADLP CN(C(=O)c1cccn1C1CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489711134 903552773 /nfs/dbraw/zinc/55/27/73/903552773.db2.gz FKFMNPIFXNQVTK-FGZHOGPDSA-N 2 2 400.611 4.012 20 0 HIADLP CN(C(=O)c1cccn1C1CCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489711134 903552779 /nfs/dbraw/zinc/55/27/79/903552779.db2.gz FKFMNPIFXNQVTK-FGZHOGPDSA-N 2 2 400.611 4.012 20 0 HIADLP CN(C(=O)c1cccn1C1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489711147 903554301 /nfs/dbraw/zinc/55/43/01/903554301.db2.gz FKFMNPIFXNQVTK-YADHBBJMSA-N 2 2 400.611 4.012 20 0 HIADLP CN(C(=O)c1cccn1C1CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489711147 903554318 /nfs/dbraw/zinc/55/43/18/903554318.db2.gz FKFMNPIFXNQVTK-YADHBBJMSA-N 2 2 400.611 4.012 20 0 HIADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c2ccccc2C1 ZINC000490118856 903774787 /nfs/dbraw/zinc/77/47/87/903774787.db2.gz MBKUWHJQGYWGEM-CLJLJLNGSA-N 2 2 405.586 4.152 20 0 HIADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c2ccccc2C1 ZINC000490118856 903774802 /nfs/dbraw/zinc/77/48/02/903774802.db2.gz MBKUWHJQGYWGEM-CLJLJLNGSA-N 2 2 405.586 4.152 20 0 HIADLP Cc1ccc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000491056919 904400460 /nfs/dbraw/zinc/40/04/60/904400460.db2.gz VIMGSLNDCYUTAE-XMMPIXPASA-N 2 2 423.582 4.365 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000491221840 904488195 /nfs/dbraw/zinc/48/81/95/904488195.db2.gz AISYHPKYSPCEDP-CVDCTZTESA-N 2 2 402.542 4.152 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000491221840 904488207 /nfs/dbraw/zinc/48/82/07/904488207.db2.gz AISYHPKYSPCEDP-CVDCTZTESA-N 2 2 402.542 4.152 20 0 HIADLP Cc1cc(Br)cc2c1[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000493945359 905296692 /nfs/dbraw/zinc/29/66/92/905296692.db2.gz QHXBVOUAHDBSEE-OAQYLSRUSA-N 2 2 415.375 4.367 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000512423235 921149764 /nfs/dbraw/zinc/14/97/64/921149764.db2.gz DRKXDNQEDIBVHD-UGKGYDQZSA-N 2 2 424.589 4.149 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000512423235 921149777 /nfs/dbraw/zinc/14/97/77/921149777.db2.gz DRKXDNQEDIBVHD-UGKGYDQZSA-N 2 2 424.589 4.149 20 0 HIADLP CCOc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OCCOc1cccc(C)c1 ZINC000494411405 905699700 /nfs/dbraw/zinc/69/97/00/905699700.db2.gz IVWYCNXBAPONHX-NRFANRHFSA-N 2 2 421.541 4.153 20 0 HIADLP CCOc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OCCOc1ccc(C)cc1 ZINC000494446478 905730918 /nfs/dbraw/zinc/73/09/18/905730918.db2.gz VJEJNXAMXIUDGE-OAQYLSRUSA-N 2 2 421.541 4.153 20 0 HIADLP Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)CC3 ZINC000495028892 906186383 /nfs/dbraw/zinc/18/63/83/906186383.db2.gz NRPDLGLQAVIRGD-GOSISDBHSA-N 2 2 403.574 4.371 20 0 HIADLP c1n[nH]c([C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C2CCCCC2)n1 ZINC000495071095 906220403 /nfs/dbraw/zinc/22/04/03/906220403.db2.gz BGJNPCXMXZNFPA-QHCPKHFHSA-N 2 2 411.594 4.087 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000495069632 906221325 /nfs/dbraw/zinc/22/13/25/906221325.db2.gz MLQJUWNGHOTPMF-VQTJNVASSA-N 2 2 420.022 4.218 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000495069632 906221343 /nfs/dbraw/zinc/22/13/43/906221343.db2.gz MLQJUWNGHOTPMF-VQTJNVASSA-N 2 2 420.022 4.218 20 0 HIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)c[nH+]1 ZINC000512643112 921271251 /nfs/dbraw/zinc/27/12/51/921271251.db2.gz VRZGCOQPMLOVNB-NXCFDTQHSA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)c[nH+]1 ZINC000512643112 921271255 /nfs/dbraw/zinc/27/12/55/921271255.db2.gz VRZGCOQPMLOVNB-NXCFDTQHSA-N 3 2 400.570 4.322 20 0 HIADLP OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000512667685 921281432 /nfs/dbraw/zinc/28/14/32/921281432.db2.gz QSZJUZKTZIIUGR-OAQYLSRUSA-N 2 2 410.455 4.370 20 0 HIADLP C[C@@H](c1ccncc1)[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000499176990 908530378 /nfs/dbraw/zinc/53/03/78/908530378.db2.gz NTYQMBOTTLMKCN-JTMVAAEOSA-N 2 2 404.602 4.392 20 0 HIADLP C[C@@H](c1ccncc1)[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499176990 908530396 /nfs/dbraw/zinc/53/03/96/908530396.db2.gz NTYQMBOTTLMKCN-JTMVAAEOSA-N 2 2 404.602 4.392 20 0 HIADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccco1 ZINC000500113762 909595652 /nfs/dbraw/zinc/59/56/52/909595652.db2.gz PVFBQWYWYLMJRN-KSEOMHKRSA-N 2 2 423.561 4.263 20 0 HIADLP CCC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000513059051 921515077 /nfs/dbraw/zinc/51/50/77/921515077.db2.gz RAMVBROTUHSKOF-JOCHJYFZSA-N 2 2 400.611 4.247 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C[NH+](C)C)c3)cc2)C[C@@H](C)O1 ZINC000500750886 910060369 /nfs/dbraw/zinc/06/03/69/910060369.db2.gz UROKCLXELODNEQ-IAGOWNOFSA-N 2 2 415.965 4.263 20 0 HIADLP CSc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000501496640 910609351 /nfs/dbraw/zinc/60/93/51/910609351.db2.gz UNHZIJLTAYZWTR-MRXNPFEDSA-N 2 2 418.632 4.386 20 0 HIADLP C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000503051081 912015997 /nfs/dbraw/zinc/01/59/97/912015997.db2.gz FYXYYYYWIPJHPV-WMLDXEAASA-N 2 2 401.308 4.384 20 0 HIADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000503051081 912016019 /nfs/dbraw/zinc/01/60/19/912016019.db2.gz FYXYYYYWIPJHPV-WMLDXEAASA-N 2 2 401.308 4.384 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503063912 912028008 /nfs/dbraw/zinc/02/80/08/912028008.db2.gz OUYIZLKJDLHLCX-RVSNTGDXSA-N 2 2 422.960 4.325 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503063912 912028022 /nfs/dbraw/zinc/02/80/22/912028022.db2.gz OUYIZLKJDLHLCX-RVSNTGDXSA-N 2 2 422.960 4.325 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000503063910 912028078 /nfs/dbraw/zinc/02/80/78/912028078.db2.gz OUYIZLKJDLHLCX-IHLLOCCUSA-N 2 2 422.960 4.325 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000503063910 912028084 /nfs/dbraw/zinc/02/80/84/912028084.db2.gz OUYIZLKJDLHLCX-IHLLOCCUSA-N 2 2 422.960 4.325 20 0 HIADLP C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503072945 912040098 /nfs/dbraw/zinc/04/00/98/912040098.db2.gz FDKSEGBSXXWYTH-HBFSDRIKSA-N 2 2 424.545 4.225 20 0 HIADLP C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503072945 912040115 /nfs/dbraw/zinc/04/01/15/912040115.db2.gz FDKSEGBSXXWYTH-HBFSDRIKSA-N 2 2 424.545 4.225 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503073950 912041202 /nfs/dbraw/zinc/04/12/02/912041202.db2.gz JCCCSUGBNIWAIT-UTSGNWPNSA-N 2 2 420.582 4.002 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503073950 912041224 /nfs/dbraw/zinc/04/12/24/912041224.db2.gz JCCCSUGBNIWAIT-UTSGNWPNSA-N 2 2 420.582 4.002 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503074881 912044139 /nfs/dbraw/zinc/04/41/39/912044139.db2.gz SXHDYTHSHAKENS-SQJMNOBHSA-N 2 2 416.569 4.104 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503074881 912044163 /nfs/dbraw/zinc/04/41/63/912044163.db2.gz SXHDYTHSHAKENS-SQJMNOBHSA-N 2 2 416.569 4.104 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503085102 912055155 /nfs/dbraw/zinc/05/51/55/912055155.db2.gz DCCAGUKEZYMPNE-ZRCGQRJVSA-N 2 2 402.542 4.060 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503085102 912055165 /nfs/dbraw/zinc/05/51/65/912055165.db2.gz DCCAGUKEZYMPNE-ZRCGQRJVSA-N 2 2 402.542 4.060 20 0 HIADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000513338984 921725273 /nfs/dbraw/zinc/72/52/73/921725273.db2.gz URCPKYRKGKFHIB-KRWDZBQOSA-N 2 2 420.956 4.335 20 0 HIADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CC1 ZINC000513338984 921725281 /nfs/dbraw/zinc/72/52/81/921725281.db2.gz URCPKYRKGKFHIB-KRWDZBQOSA-N 2 2 420.956 4.335 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CC3CCCC3)c3ccccc3)CC2)CC1 ZINC000506526593 915164488 /nfs/dbraw/zinc/16/44/88/915164488.db2.gz VMBVHMQTTCXILV-DEOSSOPVSA-N 2 2 412.622 4.166 20 0 HIADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000507461176 916229198 /nfs/dbraw/zinc/22/91/98/916229198.db2.gz SGGBGDLWYMAOLZ-UHFFFAOYSA-N 2 2 422.617 4.213 20 0 HIADLP Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000507461176 916229230 /nfs/dbraw/zinc/22/92/30/916229230.db2.gz SGGBGDLWYMAOLZ-UHFFFAOYSA-N 2 2 422.617 4.213 20 0 HIADLP COc1ccc([C@H](CNC2CC[NH+](CCC(F)(F)F)CC2)[NH+]2CCCCC2)cc1 ZINC000507463430 916230831 /nfs/dbraw/zinc/23/08/31/916230831.db2.gz SXYFHAWSILLGSW-NRFANRHFSA-N 2 2 413.528 4.229 20 0 HIADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1cccc(Br)c1 ZINC000507497681 916265122 /nfs/dbraw/zinc/26/51/22/916265122.db2.gz SHABMWQPHCZNQJ-CYBMUJFWSA-N 2 2 409.290 4.223 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(Cl)ccc1Cl ZINC000507813348 916605986 /nfs/dbraw/zinc/60/59/86/916605986.db2.gz QYLRZMTYGFCQCZ-HNNXBMFYSA-N 2 2 406.357 4.232 20 0 HIADLP c1cn(-c2ccc(C[NH2+]Cc3ccccc3-c3ccc(Cn4cncn4)cc3)cc2)c[nH+]1 ZINC000507854687 916680197 /nfs/dbraw/zinc/68/01/97/916680197.db2.gz HOPFEZDKXOKZMQ-UHFFFAOYSA-N 2 2 420.520 4.469 20 0 HIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000507931225 916805256 /nfs/dbraw/zinc/80/52/56/916805256.db2.gz RICGIUPCJWVVLB-OAQYLSRUSA-N 2 2 422.491 4.042 20 0 HIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000507931225 916805257 /nfs/dbraw/zinc/80/52/57/916805257.db2.gz RICGIUPCJWVVLB-OAQYLSRUSA-N 2 2 422.491 4.042 20 0 HIADLP C[C@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000508499912 917284412 /nfs/dbraw/zinc/28/44/12/917284412.db2.gz ACNCMXSYFQRKOJ-NJDAHSKKSA-N 2 2 416.569 4.476 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000508673912 917438393 /nfs/dbraw/zinc/43/83/93/917438393.db2.gz DWWBEVNVIDTCJQ-FQEVSTJZSA-N 2 2 403.574 4.413 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000508673912 917438396 /nfs/dbraw/zinc/43/83/96/917438396.db2.gz DWWBEVNVIDTCJQ-FQEVSTJZSA-N 2 2 403.574 4.413 20 0 HIADLP C[C@@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508877235 917630356 /nfs/dbraw/zinc/63/03/56/917630356.db2.gz XUFQSMGTNYVYBD-DBYOASNMSA-N 2 2 424.589 4.109 20 0 HIADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000509603224 918251517 /nfs/dbraw/zinc/25/15/17/918251517.db2.gz KVBRNOCXQCMILK-JWQCQUIFSA-N 2 2 411.565 4.190 20 0 HIADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000509603224 918251526 /nfs/dbraw/zinc/25/15/26/918251526.db2.gz KVBRNOCXQCMILK-JWQCQUIFSA-N 2 2 411.565 4.190 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)CC(C)C ZINC000509860423 918463494 /nfs/dbraw/zinc/46/34/94/918463494.db2.gz QZEDSHURDBLSIM-SJBKTWHCSA-N 2 2 418.626 4.174 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ncc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000510496909 918945331 /nfs/dbraw/zinc/94/53/31/918945331.db2.gz RVYHRSLAQGEWDZ-NVXWUHKLSA-N 2 2 423.388 4.421 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ncc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000510496909 918945338 /nfs/dbraw/zinc/94/53/38/918945338.db2.gz RVYHRSLAQGEWDZ-NVXWUHKLSA-N 2 2 423.388 4.421 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000511646292 920311142 /nfs/dbraw/zinc/31/11/42/920311142.db2.gz JQXBBYZMXGUYDH-QUCCMNQESA-N 2 2 412.603 4.226 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000511646292 920311157 /nfs/dbraw/zinc/31/11/57/920311157.db2.gz JQXBBYZMXGUYDH-QUCCMNQESA-N 2 2 412.603 4.226 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)C1 ZINC000511646292 920311180 /nfs/dbraw/zinc/31/11/80/920311180.db2.gz JQXBBYZMXGUYDH-QUCCMNQESA-N 2 2 412.603 4.226 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)C1 ZINC000511646292 920311196 /nfs/dbraw/zinc/31/11/96/920311196.db2.gz JQXBBYZMXGUYDH-QUCCMNQESA-N 2 2 412.603 4.226 20 0 HIADLP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000512291716 921045889 /nfs/dbraw/zinc/04/58/89/921045889.db2.gz LPQHODFFCMTQAQ-NRFANRHFSA-N 2 2 405.464 4.121 20 0 HIADLP FC(F)(F)COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000512291716 921045901 /nfs/dbraw/zinc/04/59/01/921045901.db2.gz LPQHODFFCMTQAQ-NRFANRHFSA-N 2 2 405.464 4.121 20 0 HIADLP FC(F)(F)COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000512291716 921045915 /nfs/dbraw/zinc/04/59/15/921045915.db2.gz LPQHODFFCMTQAQ-NRFANRHFSA-N 2 2 405.464 4.121 20 0 HIADLP FC(F)(F)COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000512291716 921045929 /nfs/dbraw/zinc/04/59/29/921045929.db2.gz LPQHODFFCMTQAQ-NRFANRHFSA-N 2 2 405.464 4.121 20 0 HIADLP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512350442 921095163 /nfs/dbraw/zinc/09/51/63/921095163.db2.gz OKQSDOPEPRTYAT-UHFFFAOYSA-N 2 2 407.480 4.162 20 0 HIADLP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512350442 921095174 /nfs/dbraw/zinc/09/51/74/921095174.db2.gz OKQSDOPEPRTYAT-UHFFFAOYSA-N 2 2 407.480 4.162 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccsc1 ZINC000514458363 922635350 /nfs/dbraw/zinc/63/53/50/922635350.db2.gz NQUNHZPMYNVVAS-VQTJNVASSA-N 2 2 421.010 4.141 20 0 HIADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000515888280 923413639 /nfs/dbraw/zinc/41/36/39/923413639.db2.gz PTQUBNCCDANADV-BJKOFHAPSA-N 2 2 417.553 4.281 20 0 HIADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000515888280 923413651 /nfs/dbraw/zinc/41/36/51/923413651.db2.gz PTQUBNCCDANADV-BJKOFHAPSA-N 2 2 417.553 4.281 20 0 HIADLP CC1CC[NH+]([C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2)CC1 ZINC000515987491 923482573 /nfs/dbraw/zinc/48/25/73/923482573.db2.gz ICFCSYGIYAZGGB-XMMPIXPASA-N 2 2 402.542 4.134 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000516622442 923820422 /nfs/dbraw/zinc/82/04/22/923820422.db2.gz KGNJUQXMXLMZFZ-IAGOWNOFSA-N 2 2 407.628 4.007 20 0 HIADLP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cccc(Cl)c1 ZINC000517635798 926743478 /nfs/dbraw/zinc/74/34/78/926743478.db2.gz FMFLQRMHRHECOA-OAQYLSRUSA-N 2 2 421.919 4.002 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000519198571 927823389 /nfs/dbraw/zinc/82/33/89/927823389.db2.gz MOAVNKFNQCGIMG-RUZDIDTESA-N 2 2 422.617 4.028 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000519198571 927823394 /nfs/dbraw/zinc/82/33/94/927823394.db2.gz MOAVNKFNQCGIMG-RUZDIDTESA-N 2 2 422.617 4.028 20 0 HIADLP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000519510511 928002496 /nfs/dbraw/zinc/00/24/96/928002496.db2.gz PXYOQUPVCZMFDC-NRFANRHFSA-N 2 2 420.384 4.377 20 0 HIADLP CCCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000519571399 928021160 /nfs/dbraw/zinc/02/11/60/928021160.db2.gz HLTVVJYLLXFFKG-UHFFFAOYSA-N 2 2 409.578 4.125 20 0 HIADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000520974860 928897922 /nfs/dbraw/zinc/89/79/22/928897922.db2.gz SUKLCECAYBJCCX-KRWDZBQOSA-N 2 2 412.386 4.151 20 0 HIADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000520974860 928897926 /nfs/dbraw/zinc/89/79/26/928897926.db2.gz SUKLCECAYBJCCX-KRWDZBQOSA-N 2 2 412.386 4.151 20 0 HIADLP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 ZINC000521057523 928966582 /nfs/dbraw/zinc/96/65/82/928966582.db2.gz YAIFBLUKKITBDQ-OAQYLSRUSA-N 2 2 420.384 4.377 20 0 HIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521197325 929055976 /nfs/dbraw/zinc/05/59/76/929055976.db2.gz GRFWCGJXFRLSFM-MRXNPFEDSA-N 2 2 421.372 4.120 20 0 HIADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521197325 929055988 /nfs/dbraw/zinc/05/59/88/929055988.db2.gz GRFWCGJXFRLSFM-MRXNPFEDSA-N 2 2 421.372 4.120 20 0 HIADLP Cc1ccc([C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000521463269 929232796 /nfs/dbraw/zinc/23/27/96/929232796.db2.gz IKOYODMOWQTFKZ-SKPFHBQLSA-N 2 2 424.589 4.029 20 0 HIADLP CC1CC[NH+]([C@H](CNC(=O)NCCCCNc2cccc[nH+]2)c2ccccc2)CC1 ZINC000524657274 929769879 /nfs/dbraw/zinc/76/98/79/929769879.db2.gz OCXAXQKKEJXWGA-JOCHJYFZSA-N 2 2 409.578 4.046 20 0 HIADLP CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000525305604 930145983 /nfs/dbraw/zinc/14/59/83/930145983.db2.gz YJUDPQALALBMDX-UHFFFAOYSA-N 2 2 414.638 4.076 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(Br)cc1F ZINC000527349106 930643385 /nfs/dbraw/zinc/64/33/85/930643385.db2.gz CXFBHGRWCDJDFI-INIZCTEOSA-N 2 2 420.370 4.186 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(Br)cc1F ZINC000527349106 930643387 /nfs/dbraw/zinc/64/33/87/930643387.db2.gz CXFBHGRWCDJDFI-INIZCTEOSA-N 2 2 420.370 4.186 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000530372104 930697051 /nfs/dbraw/zinc/69/70/51/930697051.db2.gz HESVJLXHJVKIDL-LIRRHRJNSA-N 2 2 405.420 4.464 20 0 HIADLP Cc1ccc(-c2nc(C[N@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)co2)cc1 ZINC000530952882 930866974 /nfs/dbraw/zinc/86/69/74/930866974.db2.gz PXVLXDQBHZVTES-UHFFFAOYSA-N 3 2 410.606 4.278 20 0 HIADLP Cc1ccc(-c2nc(C[N@@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)co2)cc1 ZINC000530952882 930866976 /nfs/dbraw/zinc/86/69/76/930866976.db2.gz PXVLXDQBHZVTES-UHFFFAOYSA-N 3 2 410.606 4.278 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC000531199496 930962393 /nfs/dbraw/zinc/96/23/93/930962393.db2.gz WQUUUGAOENFXQE-UHFFFAOYSA-N 2 2 414.351 4.238 20 0 HIADLP C[C@H](c1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000531293396 931005023 /nfs/dbraw/zinc/00/50/23/931005023.db2.gz QNALFQPWPZIVHI-YKSBVNFPSA-N 2 2 407.558 4.073 20 0 HIADLP C[C@H](c1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000531293396 931005032 /nfs/dbraw/zinc/00/50/32/931005032.db2.gz QNALFQPWPZIVHI-YKSBVNFPSA-N 2 2 407.558 4.073 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531427584 931053587 /nfs/dbraw/zinc/05/35/87/931053587.db2.gz MPHCLXIVQMCRSJ-QFIPXVFZSA-N 2 2 404.514 4.286 20 0 HIADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nnc(-c3ccccc3)s2)CC1 ZINC000531848176 931218915 /nfs/dbraw/zinc/21/89/15/931218915.db2.gz MFMJOMSJZCKBDJ-UHFFFAOYSA-N 2 2 407.587 4.027 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000531967065 931269146 /nfs/dbraw/zinc/26/91/46/931269146.db2.gz QKQPFRVIFVTEQN-YLJYHZDGSA-N 2 2 415.965 4.320 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000531967065 931269154 /nfs/dbraw/zinc/26/91/54/931269154.db2.gz QKQPFRVIFVTEQN-YLJYHZDGSA-N 2 2 415.965 4.320 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000531967062 931269241 /nfs/dbraw/zinc/26/92/41/931269241.db2.gz QKQPFRVIFVTEQN-FXAWDEMLSA-N 2 2 415.965 4.320 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000531967062 931269246 /nfs/dbraw/zinc/26/92/46/931269246.db2.gz QKQPFRVIFVTEQN-FXAWDEMLSA-N 2 2 415.965 4.320 20 0 HIADLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4c(Cl)sc(Cl)c43)cn2)CC1 ZINC000531989254 931278413 /nfs/dbraw/zinc/27/84/13/931278413.db2.gz KZFCPSBJBUTMGU-OAHLLOKOSA-N 2 2 411.402 4.369 20 0 HIADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OCC(=O)N(C)C ZINC000532212150 931354756 /nfs/dbraw/zinc/35/47/56/931354756.db2.gz WHPYQXUMVDPYKC-PGRDOPGGSA-N 2 2 406.530 4.141 20 0 HIADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000532222421 931360763 /nfs/dbraw/zinc/36/07/63/931360763.db2.gz YVWHBULAIZTNJG-OAHLLOKOSA-N 2 2 413.319 4.142 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000532448194 931438352 /nfs/dbraw/zinc/43/83/52/931438352.db2.gz PBCHXBRRFWTHJG-IBGZPJMESA-N 2 2 401.514 4.095 20 0 HIADLP CCCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000532488337 931458215 /nfs/dbraw/zinc/45/82/15/931458215.db2.gz XBNNHQZGDHUFNZ-DEOSSOPVSA-N 2 2 412.622 4.248 20 0 HIADLP Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)n2)cc1 ZINC000532537813 931515199 /nfs/dbraw/zinc/51/51/99/931515199.db2.gz MDPSEMZPUUKOCZ-UHFFFAOYSA-N 2 2 400.592 4.109 20 0 HIADLP Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)n2)cc1 ZINC000532537813 931515206 /nfs/dbraw/zinc/51/52/06/931515206.db2.gz MDPSEMZPUUKOCZ-UHFFFAOYSA-N 2 2 400.592 4.109 20 0 HIADLP CCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000532784163 931630294 /nfs/dbraw/zinc/63/02/94/931630294.db2.gz LZCAUBGQMZSDEK-XMMPIXPASA-N 2 2 424.614 4.054 20 0 HIADLP CCSc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000532784162 931630576 /nfs/dbraw/zinc/63/05/76/931630576.db2.gz LZCAUBGQMZSDEK-DEOSSOPVSA-N 2 2 424.614 4.054 20 0 HIADLP C[NH+](C)CCCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(c1ccccc1)c1ccccc1 ZINC000533089210 931769058 /nfs/dbraw/zinc/76/90/58/931769058.db2.gz YYSWSSMQBZMOAV-HSZRJFAPSA-N 2 2 416.569 4.015 20 0 HIADLP CCn1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000533646843 931942876 /nfs/dbraw/zinc/94/28/76/931942876.db2.gz FLVSSMMNLLYGGT-XZOQPEGZSA-N 2 2 410.606 4.070 20 0 HIADLP CCn1c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000533646843 931942882 /nfs/dbraw/zinc/94/28/82/931942882.db2.gz FLVSSMMNLLYGGT-XZOQPEGZSA-N 2 2 410.606 4.070 20 0 HIADLP CN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648624 931943997 /nfs/dbraw/zinc/94/39/97/931943997.db2.gz IIOYYMZUZCNSIC-RPBOFIJWSA-N 2 2 407.602 4.178 20 0 HIADLP CN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648624 931944006 /nfs/dbraw/zinc/94/40/06/931944006.db2.gz IIOYYMZUZCNSIC-RPBOFIJWSA-N 2 2 407.602 4.178 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)n1C(C)C ZINC000533649249 931945399 /nfs/dbraw/zinc/94/53/99/931945399.db2.gz PPKJTTARFCJKSI-DHIUTWEWSA-N 2 2 402.627 4.095 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1C(C)C ZINC000533649249 931945410 /nfs/dbraw/zinc/94/54/10/931945410.db2.gz PPKJTTARFCJKSI-DHIUTWEWSA-N 2 2 402.627 4.095 20 0 HIADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000534058488 932236762 /nfs/dbraw/zinc/23/67/62/932236762.db2.gz CJWRISIGCRMYOA-HXUWFJFHSA-N 2 2 419.338 4.198 20 0 HIADLP CN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534194211 932325372 /nfs/dbraw/zinc/32/53/72/932325372.db2.gz UYVNAVSGWJUHGD-WOJBJXKFSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534194211 932325378 /nfs/dbraw/zinc/32/53/78/932325378.db2.gz UYVNAVSGWJUHGD-WOJBJXKFSA-N 2 2 410.965 4.280 20 0 HIADLP Cc1cc2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)oc2cc1C ZINC000534358401 932392422 /nfs/dbraw/zinc/39/24/22/932392422.db2.gz JTHHXSOPHPYOHP-YADHBBJMSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1cc2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)oc2cc1C ZINC000534358401 932392424 /nfs/dbraw/zinc/39/24/24/932392424.db2.gz JTHHXSOPHPYOHP-YADHBBJMSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1ccsc1CCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360673 932393800 /nfs/dbraw/zinc/39/38/00/932393800.db2.gz OTXLYGYEJBVILG-LEWJYISDSA-N 2 2 405.652 4.175 20 0 HIADLP Cc1ccsc1CCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360673 932393802 /nfs/dbraw/zinc/39/38/02/932393802.db2.gz OTXLYGYEJBVILG-LEWJYISDSA-N 2 2 405.652 4.175 20 0 HIADLP CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534382787 932409972 /nfs/dbraw/zinc/40/99/72/932409972.db2.gz CJHDALIIHVAGPC-DXBBTUNJSA-N 2 2 424.699 4.029 20 0 HIADLP CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534382787 932409976 /nfs/dbraw/zinc/40/99/76/932409976.db2.gz CJHDALIIHVAGPC-DXBBTUNJSA-N 2 2 424.699 4.029 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[NH+](C2CCCCC2)CC1 ZINC000534599359 932585706 /nfs/dbraw/zinc/58/57/06/932585706.db2.gz AVMZCKCQLJEMNE-UHFFFAOYSA-N 2 2 405.546 4.084 20 0 HIADLP CC(C)c1cc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)nc(C(C)C)[nH+]1 ZINC000534880372 932821077 /nfs/dbraw/zinc/82/10/77/932821077.db2.gz GRVKGALDVNCSJI-HXUWFJFHSA-N 2 2 409.578 4.033 20 0 HIADLP CC(C)c1cc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)nc(C(C)C)[nH+]1 ZINC000534880372 932821080 /nfs/dbraw/zinc/82/10/80/932821080.db2.gz GRVKGALDVNCSJI-HXUWFJFHSA-N 2 2 409.578 4.033 20 0 HIADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000534930971 932843623 /nfs/dbraw/zinc/84/36/23/932843623.db2.gz WVMYRJJHRUIZTN-VQTJNVASSA-N 2 2 423.001 4.150 20 0 HIADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000534930971 932843628 /nfs/dbraw/zinc/84/36/28/932843628.db2.gz WVMYRJJHRUIZTN-VQTJNVASSA-N 2 2 423.001 4.150 20 0 HIADLP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1cc(Cl)ccc1F ZINC000534967608 932866434 /nfs/dbraw/zinc/86/64/34/932866434.db2.gz DIMSYCZNNWOKRJ-UHFFFAOYSA-N 2 2 415.940 4.406 20 0 HIADLP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1cc(Cl)ccc1F ZINC000534967608 932866438 /nfs/dbraw/zinc/86/64/38/932866438.db2.gz DIMSYCZNNWOKRJ-UHFFFAOYSA-N 2 2 415.940 4.406 20 0 HIADLP COc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c2ccccc2)c1 ZINC000534980397 932873616 /nfs/dbraw/zinc/87/36/16/932873616.db2.gz QGNQBPJNMYHDKI-DEOSSOPVSA-N 2 2 421.516 4.366 20 0 HIADLP Cc1nc(C(C)(C)C)sc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093765 932907669 /nfs/dbraw/zinc/90/76/69/932907669.db2.gz DXLYHCZDQZPTQN-MOPGFXCFSA-N 2 2 420.667 4.158 20 0 HIADLP Cc1nc(C(C)(C)C)sc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093765 932907687 /nfs/dbraw/zinc/90/76/87/932907687.db2.gz DXLYHCZDQZPTQN-MOPGFXCFSA-N 2 2 420.667 4.158 20 0 HIADLP CCCc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000535097634 932912725 /nfs/dbraw/zinc/91/27/25/932912725.db2.gz XGFNWPZHVKPKDJ-NHCUHLMSSA-N 2 2 405.652 4.418 20 0 HIADLP CCCc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000535097634 932912736 /nfs/dbraw/zinc/91/27/36/932912736.db2.gz XGFNWPZHVKPKDJ-NHCUHLMSSA-N 2 2 405.652 4.418 20 0 HIADLP C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535203542 933011883 /nfs/dbraw/zinc/01/18/83/933011883.db2.gz XOZZUFKVDDUFPS-LEOXJPRUSA-N 2 2 420.041 4.314 20 0 HIADLP C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535203542 933011886 /nfs/dbraw/zinc/01/18/86/933011886.db2.gz XOZZUFKVDDUFPS-LEOXJPRUSA-N 2 2 420.041 4.314 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)CC(C)C ZINC000535325372 933073673 /nfs/dbraw/zinc/07/36/73/933073673.db2.gz JPBSYEMZIDGPJB-HXUWFJFHSA-N 2 2 409.578 4.480 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000535327708 933074975 /nfs/dbraw/zinc/07/49/75/933074975.db2.gz QIAPDLMBCFFYMV-CVDCTZTESA-N 2 2 417.557 4.082 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000535327708 933074984 /nfs/dbraw/zinc/07/49/84/933074984.db2.gz QIAPDLMBCFFYMV-CVDCTZTESA-N 2 2 417.557 4.082 20 0 HIADLP CC(C)Oc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535645135 933284808 /nfs/dbraw/zinc/28/48/08/933284808.db2.gz WFRSQQRKBZTMCB-GOTSBHOMSA-N 2 2 416.610 4.275 20 0 HIADLP CC(C)Oc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535645135 933284822 /nfs/dbraw/zinc/28/48/22/933284822.db2.gz WFRSQQRKBZTMCB-GOTSBHOMSA-N 2 2 416.610 4.275 20 0 HIADLP CN(C(=O)Nc1cccc(Cl)c1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535647053 933287326 /nfs/dbraw/zinc/28/73/26/933287326.db2.gz OBCWJWMGEODWNH-OALUTQOASA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cccc(Cl)c1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535647053 933287343 /nfs/dbraw/zinc/28/73/43/933287343.db2.gz OBCWJWMGEODWNH-OALUTQOASA-N 2 2 410.965 4.280 20 0 HIADLP COc1ccc(NC(=O)[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c2ccccc2)cc1 ZINC000535661629 933306417 /nfs/dbraw/zinc/30/64/17/933306417.db2.gz JVXZDPNAZRONRJ-XMMPIXPASA-N 2 2 421.516 4.366 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000535849420 933430138 /nfs/dbraw/zinc/43/01/38/933430138.db2.gz AWEOSLHHYSBXDY-BWAGFHJFSA-N 2 2 411.590 4.332 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000535849420 933430143 /nfs/dbraw/zinc/43/01/43/933430143.db2.gz AWEOSLHHYSBXDY-BWAGFHJFSA-N 2 2 411.590 4.332 20 0 HIADLP Cc1cccc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535867018 933449891 /nfs/dbraw/zinc/44/98/91/933449891.db2.gz MCDMSJNCCZKROG-QDSKXPNFSA-N 2 2 414.638 4.077 20 0 HIADLP Cc1cccc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535867018 933449900 /nfs/dbraw/zinc/44/99/00/933449900.db2.gz MCDMSJNCCZKROG-QDSKXPNFSA-N 2 2 414.638 4.077 20 0 HIADLP CC(C)c1cccc(-c2ccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)o2)c1 ZINC000537390684 933753073 /nfs/dbraw/zinc/75/30/73/933753073.db2.gz UCEYFKJSCHIJCY-UHFFFAOYSA-N 2 2 409.574 4.358 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000537617202 938334784 /nfs/dbraw/zinc/33/47/84/938334784.db2.gz VSDWOEOUATYZDZ-IFXJQAMLSA-N 2 2 405.384 4.166 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000537617202 938334787 /nfs/dbraw/zinc/33/47/87/938334787.db2.gz VSDWOEOUATYZDZ-IFXJQAMLSA-N 2 2 405.384 4.166 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000537617202 938334791 /nfs/dbraw/zinc/33/47/91/938334791.db2.gz VSDWOEOUATYZDZ-IFXJQAMLSA-N 2 2 405.384 4.166 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000537617202 938334794 /nfs/dbraw/zinc/33/47/94/938334794.db2.gz VSDWOEOUATYZDZ-IFXJQAMLSA-N 2 2 405.384 4.166 20 0 HIADLP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1)CC1CC1 ZINC000537846662 938388949 /nfs/dbraw/zinc/38/89/49/938388949.db2.gz LBWOOVPOJWYHLB-GOSISDBHSA-N 2 2 401.595 4.239 20 0 HIADLP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1)CC1CC1 ZINC000537846662 938388953 /nfs/dbraw/zinc/38/89/53/938388953.db2.gz LBWOOVPOJWYHLB-GOSISDBHSA-N 2 2 401.595 4.239 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000537945258 938427943 /nfs/dbraw/zinc/42/79/43/938427943.db2.gz HDQGHCLXDNFNQG-TYCQWZJGSA-N 2 2 403.364 4.125 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CC[N@H+]1Cc1ccccc1 ZINC000537945258 938427949 /nfs/dbraw/zinc/42/79/49/938427949.db2.gz HDQGHCLXDNFNQG-TYCQWZJGSA-N 2 2 403.364 4.125 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000537950731 938429268 /nfs/dbraw/zinc/42/92/68/938429268.db2.gz KBVMIKNMUMOLIV-ROUUACIJSA-N 2 2 407.562 4.242 20 0 HIADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000538044749 938479756 /nfs/dbraw/zinc/47/97/56/938479756.db2.gz HUJPYBGZNHBUQY-HZPDHXFCSA-N 2 2 401.378 4.084 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1)C1CC1 ZINC000538271386 938580432 /nfs/dbraw/zinc/58/04/32/938580432.db2.gz PPVUEIYTPLVOMC-LJQANCHMSA-N 2 2 409.549 4.329 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1)C1CC1 ZINC000538271386 938580434 /nfs/dbraw/zinc/58/04/34/938580434.db2.gz PPVUEIYTPLVOMC-LJQANCHMSA-N 2 2 409.549 4.329 20 0 HIADLP CCCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538338843 938597054 /nfs/dbraw/zinc/59/70/54/938597054.db2.gz FXNKBWZFTXXIJY-XZOQPEGZSA-N 2 2 400.611 4.440 20 0 HIADLP CCCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538338843 938597057 /nfs/dbraw/zinc/59/70/57/938597057.db2.gz FXNKBWZFTXXIJY-XZOQPEGZSA-N 2 2 400.611 4.440 20 0 HIADLP O=C1[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538465528 938628392 /nfs/dbraw/zinc/62/83/92/938628392.db2.gz DBRUOOUVKSMFTQ-SFTDATJTSA-N 2 2 423.523 4.147 20 0 HIADLP O=C1[C@@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538465528 938628394 /nfs/dbraw/zinc/62/83/94/938628394.db2.gz DBRUOOUVKSMFTQ-SFTDATJTSA-N 2 2 423.523 4.147 20 0 HIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1Br ZINC000538557315 938648635 /nfs/dbraw/zinc/64/86/35/938648635.db2.gz JRYJAFHWGVLGCJ-XJKSGUPXSA-N 2 2 407.331 4.297 20 0 HIADLP COCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1OC ZINC000538733423 938696465 /nfs/dbraw/zinc/69/64/65/938696465.db2.gz PSSQMSGFSJGKHZ-SANMLTNESA-N 2 2 424.585 4.209 20 0 HIADLP COCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1OC ZINC000538733423 938696469 /nfs/dbraw/zinc/69/64/69/938696469.db2.gz PSSQMSGFSJGKHZ-SANMLTNESA-N 2 2 424.585 4.209 20 0 HIADLP COCCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1OC ZINC000538733423 938696471 /nfs/dbraw/zinc/69/64/71/938696471.db2.gz PSSQMSGFSJGKHZ-SANMLTNESA-N 2 2 424.585 4.209 20 0 HIADLP COCCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1OC ZINC000538733423 938696472 /nfs/dbraw/zinc/69/64/72/938696472.db2.gz PSSQMSGFSJGKHZ-SANMLTNESA-N 2 2 424.585 4.209 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000538749625 938700856 /nfs/dbraw/zinc/70/08/56/938700856.db2.gz XXVOVDQRBHKBFS-SFHVURJKSA-N 2 2 417.395 4.107 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000538749625 938700859 /nfs/dbraw/zinc/70/08/59/938700859.db2.gz XXVOVDQRBHKBFS-SFHVURJKSA-N 2 2 417.395 4.107 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000538749625 938700861 /nfs/dbraw/zinc/70/08/61/938700861.db2.gz XXVOVDQRBHKBFS-SFHVURJKSA-N 2 2 417.395 4.107 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000538749625 938700864 /nfs/dbraw/zinc/70/08/64/938700864.db2.gz XXVOVDQRBHKBFS-SFHVURJKSA-N 2 2 417.395 4.107 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000539054899 938784945 /nfs/dbraw/zinc/78/49/45/938784945.db2.gz WARIHLJXBFIQMI-SJORKVTESA-N 2 2 410.953 4.192 20 0 HIADLP C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539060105 938787727 /nfs/dbraw/zinc/78/77/27/938787727.db2.gz NCHJXMOTEWGHMC-IAGOWNOFSA-N 2 2 403.448 4.393 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1nc2ccc(Cl)cc2n1C ZINC000539203812 938818811 /nfs/dbraw/zinc/81/88/11/938818811.db2.gz ZFRZOIWDMUOKEL-DLBZAZTESA-N 2 2 412.965 4.298 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1nc2ccc(Cl)cc2n1C ZINC000539203812 938818812 /nfs/dbraw/zinc/81/88/12/938818812.db2.gz ZFRZOIWDMUOKEL-DLBZAZTESA-N 2 2 412.965 4.298 20 0 HIADLP COc1c(C)ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000539443390 938861382 /nfs/dbraw/zinc/86/13/82/938861382.db2.gz SVSYBLRCQDWMQW-FCHUYYIVSA-N 2 2 416.610 4.113 20 0 HIADLP COc1c(C)ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000539443390 938861383 /nfs/dbraw/zinc/86/13/83/938861383.db2.gz SVSYBLRCQDWMQW-FCHUYYIVSA-N 2 2 416.610 4.113 20 0 HIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[N@@H+]1C ZINC000539818340 938942567 /nfs/dbraw/zinc/94/25/67/938942567.db2.gz WISGZCVTPHMSHD-UZLBHIALSA-N 2 2 418.379 4.338 20 0 HIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[N@H+]1C ZINC000539818340 938942569 /nfs/dbraw/zinc/94/25/69/938942569.db2.gz WISGZCVTPHMSHD-UZLBHIALSA-N 2 2 418.379 4.338 20 0 HIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[NH+]1C ZINC000539818340 938942575 /nfs/dbraw/zinc/94/25/75/938942575.db2.gz WISGZCVTPHMSHD-UZLBHIALSA-N 2 2 418.379 4.338 20 0 HIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[NH+]1C ZINC000539818340 938942585 /nfs/dbraw/zinc/94/25/85/938942585.db2.gz WISGZCVTPHMSHD-UZLBHIALSA-N 2 2 418.379 4.338 20 0 HIADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000539851296 938957934 /nfs/dbraw/zinc/95/79/34/938957934.db2.gz XRHLMGXCFKQACW-SFHVURJKSA-N 2 2 400.485 4.334 20 0 HIADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000539851296 938957942 /nfs/dbraw/zinc/95/79/42/938957942.db2.gz XRHLMGXCFKQACW-SFHVURJKSA-N 2 2 400.485 4.334 20 0 HIADLP CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539889110 938967432 /nfs/dbraw/zinc/96/74/32/938967432.db2.gz UFDBJRJXWCIJPK-FCHUYYIVSA-N 2 2 414.981 4.071 20 0 HIADLP CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539889110 938967435 /nfs/dbraw/zinc/96/74/35/938967435.db2.gz UFDBJRJXWCIJPK-FCHUYYIVSA-N 2 2 414.981 4.071 20 0 HIADLP CCOCc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540554066 939303375 /nfs/dbraw/zinc/30/33/75/939303375.db2.gz JYNNHWVCNBYSTA-GOTSBHOMSA-N 2 2 416.610 4.024 20 0 HIADLP CCOCc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540554066 939303381 /nfs/dbraw/zinc/30/33/81/939303381.db2.gz JYNNHWVCNBYSTA-GOTSBHOMSA-N 2 2 416.610 4.024 20 0 HIADLP CCC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000541089956 939456169 /nfs/dbraw/zinc/45/61/69/939456169.db2.gz HXEDJXZZWXZEIL-OAQYLSRUSA-N 2 2 414.421 4.221 20 0 HIADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541203993 939485468 /nfs/dbraw/zinc/48/54/68/939485468.db2.gz AEYJORVRTJJLDQ-MRXNPFEDSA-N 2 2 408.468 4.421 20 0 HIADLP c1cn(-c2csc(C[NH2+]Cc3ccc(OCCOc4ccccc4)nc3)c2)c[nH+]1 ZINC000541389199 939503376 /nfs/dbraw/zinc/50/33/76/939503376.db2.gz FLICUNCQNTXUFB-UHFFFAOYSA-N 2 2 406.511 4.076 20 0 HIADLP Cc1cc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2cccnc2)ccc1F ZINC000541548171 939551580 /nfs/dbraw/zinc/55/15/80/939551580.db2.gz CZGLOQOWCGWUGK-VWLOTQADSA-N 2 2 405.517 4.241 20 0 HIADLP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541639293 939581768 /nfs/dbraw/zinc/58/17/68/939581768.db2.gz CSSGFZHXILHITN-UHFFFAOYSA-N 2 2 417.557 4.169 20 0 HIADLP C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542304451 939792277 /nfs/dbraw/zinc/79/22/77/939792277.db2.gz OHMYFWNTMKZCRV-KRWDZBQOSA-N 2 2 409.559 4.041 20 0 HIADLP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542335711 939802740 /nfs/dbraw/zinc/80/27/40/939802740.db2.gz CQXUVKGMWGQIFE-ISKFKSNPSA-N 2 2 420.601 4.447 20 0 HIADLP Cc1ccccc1[C@@H](C[NH+]1CCOCC1)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000542500288 939833169 /nfs/dbraw/zinc/83/31/69/939833169.db2.gz UFQHKVMBFXHLEP-TVZXLZGTSA-N 2 2 423.601 4.090 20 0 HIADLP Cc1ccccc1[C@@H](C[NH+]1CCOCC1)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000542500288 939833172 /nfs/dbraw/zinc/83/31/72/939833172.db2.gz UFQHKVMBFXHLEP-TVZXLZGTSA-N 2 2 423.601 4.090 20 0 HIADLP C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543059844 939913836 /nfs/dbraw/zinc/91/38/36/939913836.db2.gz IZLRCOWKNMDENE-MRXNPFEDSA-N 2 2 406.477 4.004 20 0 HIADLP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060342 939914940 /nfs/dbraw/zinc/91/49/40/939914940.db2.gz CHUYCZZMIQXGOL-SFHVURJKSA-N 2 2 412.361 4.122 20 0 HIADLP CN(C(=O)Cc1csc2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543109457 939949569 /nfs/dbraw/zinc/94/95/69/939949569.db2.gz NOMQFVFBPNILGU-YADHBBJMSA-N 2 2 413.631 4.239 20 0 HIADLP CN(C(=O)Cc1csc2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543109457 939949593 /nfs/dbraw/zinc/94/95/93/939949593.db2.gz NOMQFVFBPNILGU-YADHBBJMSA-N 2 2 413.631 4.239 20 0 HIADLP Cc1cc([C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c2cccnc2)ccc1F ZINC000543426869 940060822 /nfs/dbraw/zinc/06/08/22/940060822.db2.gz MPIGGVARNPIITA-URXFXBBRSA-N 2 2 405.521 4.266 20 0 HIADLP CC[N@H+](C[C@H](O)CCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000543436086 940063643 /nfs/dbraw/zinc/06/36/43/940063643.db2.gz BXLZBSKWSUHEGM-HSZRJFAPSA-N 2 2 410.606 4.193 20 0 HIADLP CC[N@@H+](C[C@H](O)CCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000543436086 940063644 /nfs/dbraw/zinc/06/36/44/940063644.db2.gz BXLZBSKWSUHEGM-HSZRJFAPSA-N 2 2 410.606 4.193 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)c2)cc[nH+]1 ZINC000543588041 940121430 /nfs/dbraw/zinc/12/14/30/940121430.db2.gz ONMWVKKREGKQQN-UGKGYDQZSA-N 2 2 421.589 4.124 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)c2)cc[nH+]1 ZINC000543588041 940121438 /nfs/dbraw/zinc/12/14/38/940121438.db2.gz ONMWVKKREGKQQN-UGKGYDQZSA-N 2 2 421.589 4.124 20 0 HIADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)C1 ZINC000543588279 940122128 /nfs/dbraw/zinc/12/21/28/940122128.db2.gz SOCHQRHFRLDJIR-IBGZPJMESA-N 2 2 409.578 4.028 20 0 HIADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)C1 ZINC000543588279 940122137 /nfs/dbraw/zinc/12/21/37/940122137.db2.gz SOCHQRHFRLDJIR-IBGZPJMESA-N 2 2 409.578 4.028 20 0 HIADLP CCN1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543870647 940218284 /nfs/dbraw/zinc/21/82/84/940218284.db2.gz IWRIZGQBEGIZJE-UNMCSNQZSA-N 2 2 400.448 4.215 20 0 HIADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543964882 940273804 /nfs/dbraw/zinc/27/38/04/940273804.db2.gz PMOAOMRYCBUKMR-UHFFFAOYSA-N 2 2 411.594 4.127 20 0 HIADLP CN(C(=O)c1ccc(SC2CC2)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544031960 940305038 /nfs/dbraw/zinc/30/50/38/940305038.db2.gz OHRVBXVJOAZMAW-DHIUTWEWSA-N 2 2 415.647 4.350 20 0 HIADLP CN(C(=O)c1ccc(SC2CC2)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544031960 940305044 /nfs/dbraw/zinc/30/50/44/940305044.db2.gz OHRVBXVJOAZMAW-DHIUTWEWSA-N 2 2 415.647 4.350 20 0 HIADLP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544224205 940359504 /nfs/dbraw/zinc/35/95/04/940359504.db2.gz ASMCKAPEVDXGQI-DHIUTWEWSA-N 2 2 420.601 4.274 20 0 HIADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544224205 940359510 /nfs/dbraw/zinc/35/95/10/940359510.db2.gz ASMCKAPEVDXGQI-DHIUTWEWSA-N 2 2 420.601 4.274 20 0 HIADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000544382051 940407157 /nfs/dbraw/zinc/40/71/57/940407157.db2.gz NEQFOGWTEUHNMR-DENIHFKCSA-N 2 2 407.514 4.144 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)c2)cc[nH+]1 ZINC000544507120 940459646 /nfs/dbraw/zinc/45/96/46/940459646.db2.gz DPZPLPFUQPAKET-UHFFFAOYSA-N 2 2 421.589 4.125 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)c2)cc[nH+]1 ZINC000544507120 940459654 /nfs/dbraw/zinc/45/96/54/940459654.db2.gz DPZPLPFUQPAKET-UHFFFAOYSA-N 2 2 421.589 4.125 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)Nc3cccc(CC[N@@H+](C)C4CC4)c3)c2)cc[nH+]1 ZINC000544538274 940474727 /nfs/dbraw/zinc/47/47/27/940474727.db2.gz ORRNGDOCHUWPHU-UHFFFAOYSA-N 2 2 415.541 4.286 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)Nc3cccc(CC[N@H+](C)C4CC4)c3)c2)cc[nH+]1 ZINC000544538274 940474728 /nfs/dbraw/zinc/47/47/28/940474728.db2.gz ORRNGDOCHUWPHU-UHFFFAOYSA-N 2 2 415.541 4.286 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000545912378 940656981 /nfs/dbraw/zinc/65/69/81/940656981.db2.gz RARFEWABNZFVDM-QHCPKHFHSA-N 2 2 400.950 4.437 20 0 HIADLP CC(C)Cc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+](C)C)cc1 ZINC000564030239 945358039 /nfs/dbraw/zinc/35/80/39/945358039.db2.gz VJCNIHBGHNAWDJ-NZQKXSOJSA-N 2 2 410.606 4.256 20 0 HIADLP CC(C)Cc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+](C)C)cc1 ZINC000564030239 945358053 /nfs/dbraw/zinc/35/80/53/945358053.db2.gz VJCNIHBGHNAWDJ-NZQKXSOJSA-N 2 2 410.606 4.256 20 0 HIADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2Cl)CC1 ZINC000549453253 941191501 /nfs/dbraw/zinc/19/15/01/941191501.db2.gz XVDIHSVXLNZBJG-IBGZPJMESA-N 2 2 413.993 4.422 20 0 HIADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2Cl)CC1 ZINC000549453253 941191503 /nfs/dbraw/zinc/19/15/03/941191503.db2.gz XVDIHSVXLNZBJG-IBGZPJMESA-N 2 2 413.993 4.422 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C[C@H]1c1ccccc1 ZINC000550622032 941346901 /nfs/dbraw/zinc/34/69/01/941346901.db2.gz IHVVMVGVLWQZNT-UPVQGACJSA-N 2 2 403.526 4.135 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C[C@H]1c1ccccc1 ZINC000550622032 941346905 /nfs/dbraw/zinc/34/69/05/941346905.db2.gz IHVVMVGVLWQZNT-UPVQGACJSA-N 2 2 403.526 4.135 20 0 HIADLP Cc1c(Br)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1Br ZINC000551188448 941425028 /nfs/dbraw/zinc/42/50/28/941425028.db2.gz NSJGJRCTDZFESE-NSHDSACASA-N 2 2 401.146 4.142 20 0 HIADLP Cc1ccc(-n2cc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000551242065 941433902 /nfs/dbraw/zinc/43/39/02/941433902.db2.gz QXEINHHIEIPSHI-NRFANRHFSA-N 2 2 401.489 4.288 20 0 HIADLP Cc1ccc(-n2cc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000551242066 941433959 /nfs/dbraw/zinc/43/39/59/941433959.db2.gz QXEINHHIEIPSHI-OAQYLSRUSA-N 2 2 401.489 4.288 20 0 HIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)CC1 ZINC000552551597 941705491 /nfs/dbraw/zinc/70/54/91/941705491.db2.gz UDKWBBWPNCGSAP-LJQANCHMSA-N 2 2 421.651 4.211 20 0 HIADLP Cc1cccc([C@@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1C ZINC000553338083 941869275 /nfs/dbraw/zinc/86/92/75/941869275.db2.gz QICZTLJBGITALR-GOSISDBHSA-N 2 2 400.592 4.281 20 0 HIADLP FC(F)(F)[C@H]1C[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000554089618 942034306 /nfs/dbraw/zinc/03/43/06/942034306.db2.gz GMEPKGUMYGZZHK-FNAHDJPLSA-N 2 2 404.476 4.354 20 0 HIADLP FC(F)(F)[C@H]1C[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000554089618 942034309 /nfs/dbraw/zinc/03/43/09/942034309.db2.gz GMEPKGUMYGZZHK-FNAHDJPLSA-N 2 2 404.476 4.354 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)C2 ZINC000554152667 942051473 /nfs/dbraw/zinc/05/14/73/942051473.db2.gz UUMWLJOQRAANDX-NRFANRHFSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)CC2 ZINC000554152667 942051478 /nfs/dbraw/zinc/05/14/78/942051478.db2.gz UUMWLJOQRAANDX-NRFANRHFSA-N 2 2 420.601 4.153 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000555608446 942666925 /nfs/dbraw/zinc/66/69/25/942666925.db2.gz MCODJSXCQSDAGH-NLFFAJNJSA-N 2 2 423.576 4.174 20 0 HIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000556239851 942825157 /nfs/dbraw/zinc/82/51/57/942825157.db2.gz GDNKSRSPDXGAEZ-CJFMBICVSA-N 2 2 416.565 4.432 20 0 HIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000556239851 942825159 /nfs/dbraw/zinc/82/51/59/942825159.db2.gz GDNKSRSPDXGAEZ-CJFMBICVSA-N 2 2 416.565 4.432 20 0 HIADLP CC1CCC(OC2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)CC1 ZINC000556498081 942884855 /nfs/dbraw/zinc/88/48/55/942884855.db2.gz WCRZPDXFDARLNZ-GCKKQHTFSA-N 2 2 400.607 4.337 20 0 HIADLP CC1CCC(OC2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)CC1 ZINC000556498081 942884857 /nfs/dbraw/zinc/88/48/57/942884857.db2.gz WCRZPDXFDARLNZ-GCKKQHTFSA-N 2 2 400.607 4.337 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000556914633 942964337 /nfs/dbraw/zinc/96/43/37/942964337.db2.gz LTRIOFOWZKDADL-HYBUGGRVSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000556914633 942964338 /nfs/dbraw/zinc/96/43/38/942964338.db2.gz LTRIOFOWZKDADL-HYBUGGRVSA-N 2 2 402.542 4.056 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000557341023 943078611 /nfs/dbraw/zinc/07/86/11/943078611.db2.gz ABURZBKFTXOCKB-QFIPXVFZSA-N 2 2 410.949 4.398 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000557341023 943078621 /nfs/dbraw/zinc/07/86/21/943078621.db2.gz ABURZBKFTXOCKB-QFIPXVFZSA-N 2 2 410.949 4.398 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C[C@@H]1c1ccccc1 ZINC000559738579 944041041 /nfs/dbraw/zinc/04/10/41/944041041.db2.gz BIJIISWWMNTBMK-XUZZJYLKSA-N 2 2 400.526 4.259 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C[C@@H]1c1ccccc1 ZINC000559738579 944041050 /nfs/dbraw/zinc/04/10/50/944041050.db2.gz BIJIISWWMNTBMK-XUZZJYLKSA-N 2 2 400.526 4.259 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H]1c1ccccc1 ZINC000559790466 944050965 /nfs/dbraw/zinc/05/09/65/944050965.db2.gz XIVMGBZTJUJZAP-ORYQWCPZSA-N 2 2 401.913 4.010 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H]1c1ccccc1 ZINC000559790466 944050971 /nfs/dbraw/zinc/05/09/71/944050971.db2.gz XIVMGBZTJUJZAP-ORYQWCPZSA-N 2 2 401.913 4.010 20 0 HIADLP Cc1ccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c2ccc(C)cc2)cc1 ZINC000560581782 944262995 /nfs/dbraw/zinc/26/29/95/944262995.db2.gz WSCPHPQZHPDWKD-VGPBXHGJSA-N 2 2 419.613 4.260 20 0 HIADLP Cc1ccc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c2ccc(C)cc2)cc1 ZINC000560581782 944263005 /nfs/dbraw/zinc/26/30/05/944263005.db2.gz WSCPHPQZHPDWKD-VGPBXHGJSA-N 2 2 419.613 4.260 20 0 HIADLP CCc1ccc2occ(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000560599219 944269321 /nfs/dbraw/zinc/26/93/21/944269321.db2.gz REQUCGDCOFGJRF-PKTZIBPZSA-N 2 2 411.590 4.404 20 0 HIADLP CCc1ccc2occ(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000560599219 944269323 /nfs/dbraw/zinc/26/93/23/944269323.db2.gz REQUCGDCOFGJRF-PKTZIBPZSA-N 2 2 411.590 4.404 20 0 HIADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(O)c(OC)cc1Br ZINC000561973668 944881928 /nfs/dbraw/zinc/88/19/28/944881928.db2.gz BDWCPNKIMVBSSO-UHFFFAOYSA-N 2 2 407.352 4.247 20 0 HIADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(O)c(OC)cc1Br ZINC000561973668 944881934 /nfs/dbraw/zinc/88/19/34/944881934.db2.gz BDWCPNKIMVBSSO-UHFFFAOYSA-N 2 2 407.352 4.247 20 0 HIADLP COc1ccc(Oc2ccc(CN3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)cc2)cc1 ZINC000564319685 945514870 /nfs/dbraw/zinc/51/48/70/945514870.db2.gz MPBLIFPJXPDIJI-AIZNXBIQSA-N 2 2 421.585 4.230 20 0 HIADLP COc1ccc(Oc2ccc(CN3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)cc2)cc1 ZINC000564319685 945514884 /nfs/dbraw/zinc/51/48/84/945514884.db2.gz MPBLIFPJXPDIJI-AIZNXBIQSA-N 2 2 421.585 4.230 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000564399876 945554828 /nfs/dbraw/zinc/55/48/28/945554828.db2.gz GTBAHCRUEIFQFB-FQEVSTJZSA-N 2 2 407.558 4.061 20 0 HIADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccco1 ZINC000564678465 945725699 /nfs/dbraw/zinc/72/56/99/945725699.db2.gz BMEZKXZRNIZRGN-DSKINZAPSA-N 2 2 412.578 4.332 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000565906299 945911877 /nfs/dbraw/zinc/91/18/77/945911877.db2.gz SSLCAWPUOOJDOB-DVECYGJZSA-N 2 2 409.549 4.132 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000566389594 946018250 /nfs/dbraw/zinc/01/82/50/946018250.db2.gz FUDCKCMTOGISMB-QFIPXVFZSA-N 2 2 404.514 4.368 20 0 HIADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474079 946345392 /nfs/dbraw/zinc/34/53/92/946345392.db2.gz BJTLXQUTHPBQCD-PZJWPPBQSA-N 2 2 410.389 4.075 20 0 HIADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474079 946345403 /nfs/dbraw/zinc/34/54/03/946345403.db2.gz BJTLXQUTHPBQCD-PZJWPPBQSA-N 2 2 410.389 4.075 20 0 HIADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474079 946345419 /nfs/dbraw/zinc/34/54/19/946345419.db2.gz BJTLXQUTHPBQCD-PZJWPPBQSA-N 2 2 410.389 4.075 20 0 HIADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474079 946345432 /nfs/dbraw/zinc/34/54/32/946345432.db2.gz BJTLXQUTHPBQCD-PZJWPPBQSA-N 2 2 410.389 4.075 20 0 HIADLP CC[N@H+](C)[C@@H](c1nc(-c2ccc(N3CC[NH+](CC)CC3)c(F)c2)no1)c1ccccc1 ZINC000571802210 947789176 /nfs/dbraw/zinc/78/91/76/947789176.db2.gz CGBZFVOPGKUPAK-JOCHJYFZSA-N 2 2 423.536 4.059 20 0 HIADLP CC[N@@H+](C)[C@@H](c1nc(-c2ccc(N3CC[NH+](CC)CC3)c(F)c2)no1)c1ccccc1 ZINC000571802210 947789191 /nfs/dbraw/zinc/78/91/91/947789191.db2.gz CGBZFVOPGKUPAK-JOCHJYFZSA-N 2 2 423.536 4.059 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323307 947884419 /nfs/dbraw/zinc/88/44/19/947884419.db2.gz BCWUKGFAIKJNJV-UXHICEINSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323307 947884423 /nfs/dbraw/zinc/88/44/23/947884423.db2.gz BCWUKGFAIKJNJV-UXHICEINSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323307 947884427 /nfs/dbraw/zinc/88/44/27/947884427.db2.gz BCWUKGFAIKJNJV-UXHICEINSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323307 947884429 /nfs/dbraw/zinc/88/44/29/947884429.db2.gz BCWUKGFAIKJNJV-UXHICEINSA-N 2 2 411.615 4.178 20 0 HIADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558978 948474799 /nfs/dbraw/zinc/47/47/99/948474799.db2.gz QFNQLYMKCAKHCL-YJBOKZPZSA-N 2 2 406.393 4.489 20 0 HIADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558978 948474810 /nfs/dbraw/zinc/47/48/10/948474810.db2.gz QFNQLYMKCAKHCL-YJBOKZPZSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558978 948474818 /nfs/dbraw/zinc/47/48/18/948474818.db2.gz QFNQLYMKCAKHCL-YJBOKZPZSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558978 948474823 /nfs/dbraw/zinc/47/48/23/948474823.db2.gz QFNQLYMKCAKHCL-YJBOKZPZSA-N 2 2 406.393 4.489 20 0 HIADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc(C4CCCCC4)[nH+]c(C)n3)CC2)CC1 ZINC001164617042 719030506 /nfs/dbraw/zinc/03/05/06/719030506.db2.gz JPKRAKQQWDBXAL-UHFFFAOYSA-N 2 2 414.594 4.077 20 0 HIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164664182 719347009 /nfs/dbraw/zinc/34/70/09/719347009.db2.gz SYFSBIGBXZWBAS-UHFFFAOYSA-N 2 2 412.541 4.258 20 0 HIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164664182 719347011 /nfs/dbraw/zinc/34/70/11/719347011.db2.gz SYFSBIGBXZWBAS-UHFFFAOYSA-N 2 2 412.541 4.258 20 0 HIADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc(C)c2c1 ZINC001164833986 720544880 /nfs/dbraw/zinc/54/48/80/720544880.db2.gz CDYFQLFCNMQQSC-YOSAUDMPSA-N 2 2 419.573 4.126 20 0 HIADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc(C)c2c1 ZINC001164833986 720544895 /nfs/dbraw/zinc/54/48/95/720544895.db2.gz CDYFQLFCNMQQSC-YOSAUDMPSA-N 2 2 419.573 4.126 20 0 HIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]c(C)cc4ccccc43)C2)C1 ZINC001164787067 721358566 /nfs/dbraw/zinc/35/85/66/721358566.db2.gz YDVCYFUVHNAKKP-RUZDIDTESA-N 2 2 420.557 4.267 20 0 HIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]c(C)cc4ccccc43)C2)C1 ZINC001164787067 721358571 /nfs/dbraw/zinc/35/85/71/721358571.db2.gz YDVCYFUVHNAKKP-RUZDIDTESA-N 2 2 420.557 4.267 20 0 HIADLP Cc1ccc2c(C)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]c2c1C ZINC001164982761 722144095 /nfs/dbraw/zinc/14/40/95/722144095.db2.gz SHXUQSRFTJICBL-ISKFKSNPSA-N 2 2 416.569 4.282 20 0 HIADLP Cc1ccc2c(C)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]c2c1C ZINC001164982761 722144097 /nfs/dbraw/zinc/14/40/97/722144097.db2.gz SHXUQSRFTJICBL-ISKFKSNPSA-N 2 2 416.569 4.282 20 0 HIADLP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[NH+](Cc4ccccc4)CC3)c2c1C ZINC000015174231 846015609 /nfs/dbraw/zinc/01/56/09/846015609.db2.gz OYIWOFMUMFJQMM-UHFFFAOYSA-N 2 2 421.614 4.226 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccc(Cl)s1 ZINC000015481817 846053231 /nfs/dbraw/zinc/05/32/31/846053231.db2.gz SQEJAGZWOXANAX-UHFFFAOYSA-N 2 2 421.010 4.004 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccc(Cl)s1 ZINC000015481817 846053242 /nfs/dbraw/zinc/05/32/42/846053242.db2.gz SQEJAGZWOXANAX-UHFFFAOYSA-N 2 2 421.010 4.004 20 0 HIADLP CC(C)c1ccc(C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000028728693 847453670 /nfs/dbraw/zinc/45/36/70/847453670.db2.gz SOFXKACNPWXXSE-UHFFFAOYSA-N 2 2 421.585 4.245 20 0 HIADLP CC(C)c1ccc(C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cc1 ZINC000028728693 847453680 /nfs/dbraw/zinc/45/36/80/847453680.db2.gz SOFXKACNPWXXSE-UHFFFAOYSA-N 2 2 421.585 4.245 20 0 HIADLP COc1cc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)ccc1OCc1ccncc1 ZINC000042228100 848305917 /nfs/dbraw/zinc/30/59/17/848305917.db2.gz XLOCXEIJCXRFQX-UHFFFAOYSA-N 2 2 414.509 4.204 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046343266 848827818 /nfs/dbraw/zinc/82/78/18/848827818.db2.gz CZPFXKKWGHZWOW-BGYRXZFFSA-N 2 2 409.574 4.390 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000046343266 848827824 /nfs/dbraw/zinc/82/78/24/848827824.db2.gz CZPFXKKWGHZWOW-BGYRXZFFSA-N 2 2 409.574 4.390 20 0 HIADLP COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000048749662 849264304 /nfs/dbraw/zinc/26/43/04/849264304.db2.gz BPQCXXVZEPZRIB-UHFFFAOYSA-N 2 2 416.481 4.367 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3OC(F)(F)F)cc2)CC1 ZINC000061070031 851287205 /nfs/dbraw/zinc/28/72/05/851287205.db2.gz KXTWTQSCMJJOJK-UHFFFAOYSA-N 2 2 407.480 4.013 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000063319729 851658672 /nfs/dbraw/zinc/65/86/72/851658672.db2.gz OKZGYGINQDXUHJ-UHFFFAOYSA-N 2 2 409.574 4.413 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063548730 851711637 /nfs/dbraw/zinc/71/16/37/851711637.db2.gz VAKMYMAXRWBHAZ-UHFFFAOYSA-N 2 2 411.431 4.382 20 0 HIADLP c1ccc(-c2ccc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)cc2)cc1 ZINC000065014208 852039712 /nfs/dbraw/zinc/03/97/12/852039712.db2.gz RTZQHOUYOXNOCH-UHFFFAOYSA-N 2 2 402.538 4.354 20 0 HIADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1C ZINC000065304119 852102486 /nfs/dbraw/zinc/10/24/86/852102486.db2.gz KJYCRCJUGQYZKC-GOSISDBHSA-N 2 2 410.562 4.081 20 0 HIADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1C ZINC000065304119 852102496 /nfs/dbraw/zinc/10/24/96/852102496.db2.gz KJYCRCJUGQYZKC-GOSISDBHSA-N 2 2 410.562 4.081 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000065933868 852323503 /nfs/dbraw/zinc/32/35/03/852323503.db2.gz OQEVIEVXNMEDTH-UHFFFAOYSA-N 2 2 400.482 4.145 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000097604713 852643143 /nfs/dbraw/zinc/64/31/43/852643143.db2.gz YTENFLPUFZLTQW-RISCZKNCSA-N 2 2 420.189 4.183 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000097604713 852643148 /nfs/dbraw/zinc/64/31/48/852643148.db2.gz YTENFLPUFZLTQW-RISCZKNCSA-N 2 2 420.189 4.183 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(CC[NH+](C)C)Cc3cccs3)n2)C1 ZINC000437202775 862392804 /nfs/dbraw/zinc/39/28/04/862392804.db2.gz XRTICOPUIXFMMU-INIZCTEOSA-N 2 2 421.636 4.032 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CC[NH+](C)C)Cc3cccs3)n2)C1 ZINC000437202775 862392822 /nfs/dbraw/zinc/39/28/22/862392822.db2.gz XRTICOPUIXFMMU-INIZCTEOSA-N 2 2 421.636 4.032 20 0 HIADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000138923046 853398898 /nfs/dbraw/zinc/39/88/98/853398898.db2.gz ZILMXUPGPUPNNS-UHFFFAOYSA-N 2 2 406.555 4.041 20 0 HIADLP Brc1cccc(N2CC[C@@H](C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000140602260 853448656 /nfs/dbraw/zinc/44/86/56/853448656.db2.gz CRHFQZHUZQGWCI-SFHVURJKSA-N 2 2 411.347 4.251 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000229279384 853891869 /nfs/dbraw/zinc/89/18/69/853891869.db2.gz AXHHBXZKPLADSM-FHWLQOOXSA-N 2 2 422.013 4.105 20 0 HIADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000236655944 853908080 /nfs/dbraw/zinc/90/80/80/853908080.db2.gz ALNQXEGFVOVAES-UHFFFAOYSA-N 2 2 418.585 4.292 20 0 HIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3F)CC2)cc1 ZINC000237142619 853971581 /nfs/dbraw/zinc/97/15/81/853971581.db2.gz PQZFZZXADOKPFC-UHFFFAOYSA-N 2 2 406.343 4.413 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237144565 853972649 /nfs/dbraw/zinc/97/26/49/853972649.db2.gz OYPZAHDQZIWCJN-UWJYYQICSA-N 2 2 415.965 4.492 20 0 HIADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000237184720 853977969 /nfs/dbraw/zinc/97/79/69/853977969.db2.gz KXRVTMXLKKZFAV-CQSZACIVSA-N 2 2 400.876 4.284 20 0 HIADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000237184720 853977972 /nfs/dbraw/zinc/97/79/72/853977972.db2.gz KXRVTMXLKKZFAV-CQSZACIVSA-N 2 2 400.876 4.284 20 0 HIADLP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000237716142 854081821 /nfs/dbraw/zinc/08/18/21/854081821.db2.gz WRGKFKXAQUNLKC-JOCHJYFZSA-N 2 2 411.933 4.432 20 0 HIADLP FC(F)(F)c1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000237718472 854082989 /nfs/dbraw/zinc/08/29/89/854082989.db2.gz IPRJHPCOMRZDEC-HXUWFJFHSA-N 2 2 400.448 4.255 20 0 HIADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC000301307207 854353059 /nfs/dbraw/zinc/35/30/59/854353059.db2.gz ZGJHNNDMJZPKRS-UHFFFAOYSA-N 2 2 424.932 4.161 20 0 HIADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccc(S(=O)(=O)C(F)F)cc3)cc2)CC1 ZINC000301949223 854502478 /nfs/dbraw/zinc/50/24/78/854502478.db2.gz FRSSHVCDNUPPBT-UHFFFAOYSA-N 2 2 423.529 4.205 20 0 HIADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000303423976 854925689 /nfs/dbraw/zinc/92/56/89/854925689.db2.gz YRTXRSRVJPZRBD-UHFFFAOYSA-N 2 2 418.545 4.002 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)([NH+]2CCCCC2)CC1 ZINC000303979944 855333785 /nfs/dbraw/zinc/33/37/85/855333785.db2.gz XAGGUOAZHCUSFB-ROUUACIJSA-N 2 2 424.416 4.163 20 0 HIADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C[C@@H](C)O1 ZINC000426782854 856475254 /nfs/dbraw/zinc/47/52/54/856475254.db2.gz HWPIYSIEGUZDHK-IAGOWNOFSA-N 2 2 406.521 4.143 20 0 HIADLP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCS2 ZINC000427600887 856884272 /nfs/dbraw/zinc/88/42/72/856884272.db2.gz WCIOYKHJRCHICN-JOCHJYFZSA-N 2 2 412.599 4.341 20 0 HIADLP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427870331 856988253 /nfs/dbraw/zinc/98/82/53/856988253.db2.gz FDCFAXZCMGVBDH-RDTXWAMCSA-N 2 2 400.320 4.171 20 0 HIADLP Fc1ccc(Br)cc1[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427875398 856990118 /nfs/dbraw/zinc/99/01/18/856990118.db2.gz SZKBVPLKGVEFMX-JXFKEZNVSA-N 2 2 400.295 4.479 20 0 HIADLP Fc1cc(Br)ccc1[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427886087 856993489 /nfs/dbraw/zinc/99/34/89/856993489.db2.gz YIDWFDIEDMSTPC-UZLBHIALSA-N 2 2 400.295 4.479 20 0 HIADLP CC[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000437577225 862896026 /nfs/dbraw/zinc/89/60/26/862896026.db2.gz JKYPWQQTNRPDHV-OAQYLSRUSA-N 2 2 421.507 4.242 20 0 HIADLP CC[N@@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000437577225 862896032 /nfs/dbraw/zinc/89/60/32/862896032.db2.gz JKYPWQQTNRPDHV-OAQYLSRUSA-N 2 2 421.507 4.242 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429440728 857669934 /nfs/dbraw/zinc/66/99/34/857669934.db2.gz DAGAIGNHCGJAQG-AEFFLSMTSA-N 2 2 414.347 4.137 20 0 HIADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1SC ZINC000429445424 857673315 /nfs/dbraw/zinc/67/33/15/857673315.db2.gz PKFQNTBOOKHNGS-WIYYLYMNSA-N 2 2 400.588 4.359 20 0 HIADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1SC ZINC000429445424 857673321 /nfs/dbraw/zinc/67/33/21/857673321.db2.gz PKFQNTBOOKHNGS-WIYYLYMNSA-N 2 2 400.588 4.359 20 0 HIADLP C[C@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@@H+]1CCCC[C@H]1C ZINC000430160323 858059414 /nfs/dbraw/zinc/05/94/14/858059414.db2.gz JOFAJEPYDRDJNP-RTBURBONSA-N 2 2 417.985 4.011 20 0 HIADLP C[C@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000430160323 858059421 /nfs/dbraw/zinc/05/94/21/858059421.db2.gz JOFAJEPYDRDJNP-RTBURBONSA-N 2 2 417.985 4.011 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1coc(-c2cccs2)n1 ZINC000430913372 858367835 /nfs/dbraw/zinc/36/78/35/858367835.db2.gz UQQCLMOQRKFUTA-UHFFFAOYSA-N 3 2 402.608 4.031 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1coc(-c2cccs2)n1 ZINC000430913372 858367842 /nfs/dbraw/zinc/36/78/42/858367842.db2.gz UQQCLMOQRKFUTA-UHFFFAOYSA-N 3 2 402.608 4.031 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2)C1 ZINC000431755239 858792137 /nfs/dbraw/zinc/79/21/37/858792137.db2.gz BZLJOLOPWKFZCQ-FQEVSTJZSA-N 2 2 402.542 4.345 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2)C1 ZINC000431755239 858792150 /nfs/dbraw/zinc/79/21/50/858792150.db2.gz BZLJOLOPWKFZCQ-FQEVSTJZSA-N 2 2 402.542 4.345 20 0 HIADLP CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433168047 859550859 /nfs/dbraw/zinc/55/08/59/859550859.db2.gz QAYDCFRXQIZGHB-FQEVSTJZSA-N 2 2 412.578 4.291 20 0 HIADLP CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433168047 859550863 /nfs/dbraw/zinc/55/08/63/859550863.db2.gz QAYDCFRXQIZGHB-FQEVSTJZSA-N 2 2 412.578 4.291 20 0 HIADLP Cc1cc(Br)cn2c(CNc3cccc4c3OCC[C@H]4[NH+](C)C)c[nH+]c12 ZINC000433202418 859564924 /nfs/dbraw/zinc/56/49/24/859564924.db2.gz QLQNTCXVAHPLDX-GOSISDBHSA-N 2 2 415.335 4.403 20 0 HIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433406497 859682015 /nfs/dbraw/zinc/68/20/15/859682015.db2.gz PNIBYEYMHBIAIS-XLIONFOSSA-N 2 2 401.526 4.200 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccc2ccccc21 ZINC000434680588 860457153 /nfs/dbraw/zinc/45/71/53/860457153.db2.gz JVZCDFJKSKIVLF-IBGZPJMESA-N 2 2 416.569 4.429 20 0 HIADLP COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434747561 860479941 /nfs/dbraw/zinc/47/99/41/860479941.db2.gz RDMYVVFVFGSGRS-UHFFFAOYSA-N 2 2 416.953 4.008 20 0 HIADLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000434992469 860589169 /nfs/dbraw/zinc/58/91/69/860589169.db2.gz SNGANMKIABEFLP-UHFFFAOYSA-N 2 2 408.464 4.386 20 0 HIADLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000434992469 860589174 /nfs/dbraw/zinc/58/91/74/860589174.db2.gz SNGANMKIABEFLP-UHFFFAOYSA-N 2 2 408.464 4.386 20 0 HIADLP C[C@@H](Oc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000438504545 863926092 /nfs/dbraw/zinc/92/60/92/863926092.db2.gz WRPIKCQAFKNUFZ-HXUWFJFHSA-N 2 2 424.589 4.316 20 0 HIADLP C[C@@H](Oc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000438504545 863926123 /nfs/dbraw/zinc/92/61/23/863926123.db2.gz WRPIKCQAFKNUFZ-HXUWFJFHSA-N 2 2 424.589 4.316 20 0 HIADLP CC(C)C[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000468030958 881863575 /nfs/dbraw/zinc/86/35/75/881863575.db2.gz STIXLJHDVQGEIM-REWPJTCUSA-N 2 2 423.605 4.247 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468048285 881875178 /nfs/dbraw/zinc/87/51/78/881875178.db2.gz OETUKUOILSXQIP-QRWLVFNGSA-N 2 2 413.363 4.326 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468048285 881875179 /nfs/dbraw/zinc/87/51/79/881875179.db2.gz OETUKUOILSXQIP-QRWLVFNGSA-N 2 2 413.363 4.326 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000440814858 865931620 /nfs/dbraw/zinc/93/16/20/865931620.db2.gz FXWGQFBNENDIPI-REWPJTCUSA-N 2 2 411.594 4.053 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000440814858 865931631 /nfs/dbraw/zinc/93/16/31/865931631.db2.gz FXWGQFBNENDIPI-REWPJTCUSA-N 2 2 411.594 4.053 20 0 HIADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417211 866492925 /nfs/dbraw/zinc/49/29/25/866492925.db2.gz FZFXIFXZYZTQPJ-BXTJHSDWSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417211 866492928 /nfs/dbraw/zinc/49/29/28/866492928.db2.gz FZFXIFXZYZTQPJ-BXTJHSDWSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417211 866492935 /nfs/dbraw/zinc/49/29/35/866492935.db2.gz FZFXIFXZYZTQPJ-BXTJHSDWSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417211 866492940 /nfs/dbraw/zinc/49/29/40/866492940.db2.gz FZFXIFXZYZTQPJ-BXTJHSDWSA-N 2 2 410.389 4.119 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C)c1 ZINC000442233503 867268459 /nfs/dbraw/zinc/26/84/59/867268459.db2.gz DXRWYAFYDOQGAY-DEOSSOPVSA-N 2 2 419.573 4.015 20 0 HIADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000443598690 868154837 /nfs/dbraw/zinc/15/48/37/868154837.db2.gz ADWBARMHKGHTPX-FQEVSTJZSA-N 2 2 407.562 4.234 20 0 HIADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000443598690 868154845 /nfs/dbraw/zinc/15/48/45/868154845.db2.gz ADWBARMHKGHTPX-FQEVSTJZSA-N 2 2 407.562 4.234 20 0 HIADLP CC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000443611232 868175583 /nfs/dbraw/zinc/17/55/83/868175583.db2.gz VSVIAJQPAHAIOE-HXUWFJFHSA-N 2 2 421.507 4.242 20 0 HIADLP CC[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000443611232 868175599 /nfs/dbraw/zinc/17/55/99/868175599.db2.gz VSVIAJQPAHAIOE-HXUWFJFHSA-N 2 2 421.507 4.242 20 0 HIADLP CCC1(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000444123277 868630524 /nfs/dbraw/zinc/63/05/24/868630524.db2.gz BUBAQAXFWBSARD-JOCHJYFZSA-N 2 2 423.605 4.002 20 0 HIADLP Cc1ccc(-c2cccc(CNC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)cc1 ZINC000468290665 882214385 /nfs/dbraw/zinc/21/43/85/882214385.db2.gz HAXDZHVXWGQCIA-UHFFFAOYSA-N 2 2 420.601 4.020 20 0 HIADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444793263 869011013 /nfs/dbraw/zinc/01/10/13/869011013.db2.gz HBFIBKMVHHBJJI-DENIHFKCSA-N 2 2 402.542 4.218 20 0 HIADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444793263 869011023 /nfs/dbraw/zinc/01/10/23/869011023.db2.gz HBFIBKMVHHBJJI-DENIHFKCSA-N 2 2 402.542 4.218 20 0 HIADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444806497 869018954 /nfs/dbraw/zinc/01/89/54/869018954.db2.gz ULKROHKNBIPTTR-ZFWWWQNUSA-N 2 2 405.424 4.430 20 0 HIADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444806497 869018965 /nfs/dbraw/zinc/01/89/65/869018965.db2.gz ULKROHKNBIPTTR-ZFWWWQNUSA-N 2 2 405.424 4.430 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000444806099 869020103 /nfs/dbraw/zinc/02/01/03/869020103.db2.gz SNDPPTHRXPXNNS-LPHOPBHVSA-N 2 2 421.372 4.270 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000444806099 869020119 /nfs/dbraw/zinc/02/01/19/869020119.db2.gz SNDPPTHRXPXNNS-LPHOPBHVSA-N 2 2 421.372 4.270 20 0 HIADLP CC[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000445260132 869312001 /nfs/dbraw/zinc/31/20/01/869312001.db2.gz DSPPZAVNKYBRRQ-HXUWFJFHSA-N 2 2 412.405 4.321 20 0 HIADLP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000468412407 882356821 /nfs/dbraw/zinc/35/68/21/882356821.db2.gz NWTHZQJVMKQDFG-KBWCOIMZSA-N 2 2 424.555 4.284 20 0 HIADLP FC(F)(F)C1CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000468412407 882356837 /nfs/dbraw/zinc/35/68/37/882356837.db2.gz NWTHZQJVMKQDFG-KBWCOIMZSA-N 2 2 424.555 4.284 20 0 HIADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447721152 871663705 /nfs/dbraw/zinc/66/37/05/871663705.db2.gz FFZUWDUXJVVUAY-FCHUYYIVSA-N 2 2 411.521 4.204 20 0 HIADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447721152 871663708 /nfs/dbraw/zinc/66/37/08/871663708.db2.gz FFZUWDUXJVVUAY-FCHUYYIVSA-N 2 2 411.521 4.204 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000460484938 873171302 /nfs/dbraw/zinc/17/13/02/873171302.db2.gz GDQJYNBGHBYBPR-ZEQRLZLVSA-N 2 2 405.586 4.010 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2ccccc2Oc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000460492344 873178225 /nfs/dbraw/zinc/17/82/25/873178225.db2.gz IVVTYHYXTOZKDL-UHFFFAOYSA-N 2 2 407.558 4.159 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2cc3c(s2)CCCCCC3)([NH+]2CCCCC2)CC1 ZINC000460499524 873185362 /nfs/dbraw/zinc/18/53/62/873185362.db2.gz OMORHKCTVSFTPZ-UHFFFAOYSA-N 2 2 403.636 4.087 20 0 HIADLP C[NH+]1CCC(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)([NH+]2CCCCC2)CC1 ZINC000460503862 873190357 /nfs/dbraw/zinc/19/03/57/873190357.db2.gz MMBCKZXTOKLVME-UHFFFAOYSA-N 2 2 418.025 4.218 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000462003619 875125190 /nfs/dbraw/zinc/12/51/90/875125190.db2.gz CTKFCNYVJQUTEG-OAQYLSRUSA-N 2 2 423.605 4.118 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000462003619 875125196 /nfs/dbraw/zinc/12/51/96/875125196.db2.gz CTKFCNYVJQUTEG-OAQYLSRUSA-N 2 2 423.605 4.118 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C ZINC000462742402 875812525 /nfs/dbraw/zinc/81/25/25/875812525.db2.gz XJWZYMZNMGXEFG-JOCHJYFZSA-N 2 2 424.589 4.151 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000462742402 875812526 /nfs/dbraw/zinc/81/25/26/875812526.db2.gz XJWZYMZNMGXEFG-JOCHJYFZSA-N 2 2 424.589 4.151 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C ZINC000462742403 875812844 /nfs/dbraw/zinc/81/28/44/875812844.db2.gz XJWZYMZNMGXEFG-QFIPXVFZSA-N 2 2 424.589 4.151 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000462742403 875812846 /nfs/dbraw/zinc/81/28/46/875812846.db2.gz XJWZYMZNMGXEFG-QFIPXVFZSA-N 2 2 424.589 4.151 20 0 HIADLP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1csc(-c2ccccc2F)n1 ZINC000462804223 875851732 /nfs/dbraw/zinc/85/17/32/875851732.db2.gz DIAYASLBOFDGRT-HNNXBMFYSA-N 2 2 400.523 4.135 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463238031 876295422 /nfs/dbraw/zinc/29/54/22/876295422.db2.gz NDLQFDPXDBPBDG-UGCZDOJFSA-N 2 2 409.540 4.434 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463238031 876295435 /nfs/dbraw/zinc/29/54/35/876295435.db2.gz NDLQFDPXDBPBDG-UGCZDOJFSA-N 2 2 409.540 4.434 20 0 HIADLP COc1cccc([C@H]2[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CCN2C2CC2)c1 ZINC000463280360 876338534 /nfs/dbraw/zinc/33/85/34/876338534.db2.gz LNIYIHUFYOPNFH-SXOMAYOGSA-N 2 2 419.613 4.270 20 0 HIADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000463312210 876370250 /nfs/dbraw/zinc/37/02/50/876370250.db2.gz ZWQWBSNDQYMAMB-JSRJAPPDSA-N 2 2 418.651 4.179 20 0 HIADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463694927 876814112 /nfs/dbraw/zinc/81/41/12/876814112.db2.gz AGSIDIAEYVQCRD-NRFANRHFSA-N 2 2 419.529 4.438 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000463694879 876814524 /nfs/dbraw/zinc/81/45/24/876814524.db2.gz GKXOTQDYNIENFX-UHFFFAOYSA-N 2 2 407.562 4.369 20 0 HIADLP Cc1cc(N2CC[NH+]([C@H](C)c3nccs3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000463736723 876856584 /nfs/dbraw/zinc/85/65/84/876856584.db2.gz JVWONAYYVBCSEP-CQSZACIVSA-N 2 2 404.486 4.484 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804629 878047309 /nfs/dbraw/zinc/04/73/09/878047309.db2.gz HOYIAMWSZMLUHE-UHFFFAOYSA-N 2 2 420.479 4.277 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804629 878047332 /nfs/dbraw/zinc/04/73/32/878047332.db2.gz HOYIAMWSZMLUHE-UHFFFAOYSA-N 2 2 420.479 4.277 20 0 HIADLP CCOc1ccc(-c2noc(C[N@H+](CC)CC3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000464806521 878053042 /nfs/dbraw/zinc/05/30/42/878053042.db2.gz DGWQLPNDHAMEQY-UHFFFAOYSA-N 2 2 421.545 4.269 20 0 HIADLP CCOc1ccc(-c2noc(C[N@@H+](CC)CC3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000464806521 878053060 /nfs/dbraw/zinc/05/30/60/878053060.db2.gz DGWQLPNDHAMEQY-UHFFFAOYSA-N 2 2 421.545 4.269 20 0 HIADLP CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811651 878061731 /nfs/dbraw/zinc/06/17/31/878061731.db2.gz SLNOGMJQMYCJBU-RUZDIDTESA-N 2 2 408.590 4.133 20 0 HIADLP CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811651 878061750 /nfs/dbraw/zinc/06/17/50/878061750.db2.gz SLNOGMJQMYCJBU-RUZDIDTESA-N 2 2 408.590 4.133 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000464832079 878090314 /nfs/dbraw/zinc/09/03/14/878090314.db2.gz LUYYFJTZGVIYSS-ZJOUEHCJSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000464832079 878090329 /nfs/dbraw/zinc/09/03/29/878090329.db2.gz LUYYFJTZGVIYSS-ZJOUEHCJSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000464832079 878090348 /nfs/dbraw/zinc/09/03/48/878090348.db2.gz LUYYFJTZGVIYSS-ZJOUEHCJSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000464832079 878090367 /nfs/dbraw/zinc/09/03/67/878090367.db2.gz LUYYFJTZGVIYSS-ZJOUEHCJSA-N 2 2 413.993 4.360 20 0 HIADLP O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503367788 912343808 /nfs/dbraw/zinc/34/38/08/912343808.db2.gz BEHHDKIUDDVYGE-DOTOQJQBSA-N 2 2 424.372 4.146 20 0 HIADLP O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503367788 912343831 /nfs/dbraw/zinc/34/38/31/912343831.db2.gz BEHHDKIUDDVYGE-DOTOQJQBSA-N 2 2 424.372 4.146 20 0 HIADLP O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503367792 912344178 /nfs/dbraw/zinc/34/41/78/912344178.db2.gz BEHHDKIUDDVYGE-RDJZCZTQSA-N 2 2 424.372 4.146 20 0 HIADLP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503367792 912344201 /nfs/dbraw/zinc/34/42/01/912344201.db2.gz BEHHDKIUDDVYGE-RDJZCZTQSA-N 2 2 424.372 4.146 20 0 HIADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503407456 912387059 /nfs/dbraw/zinc/38/70/59/912387059.db2.gz DWXGPPOMVLMKRS-NNMXDRDESA-N 2 2 408.590 4.227 20 0 HIADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503407456 912387074 /nfs/dbraw/zinc/38/70/74/912387074.db2.gz DWXGPPOMVLMKRS-NNMXDRDESA-N 2 2 408.590 4.227 20 0 HIADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402618 912381945 /nfs/dbraw/zinc/38/19/45/912381945.db2.gz BOLFEUFWIBPKMJ-CRAIPNDOSA-N 2 2 424.372 4.146 20 0 HIADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402618 912381964 /nfs/dbraw/zinc/38/19/64/912381964.db2.gz BOLFEUFWIBPKMJ-CRAIPNDOSA-N 2 2 424.372 4.146 20 0 HIADLP CC(C)C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000465464803 878897705 /nfs/dbraw/zinc/89/77/05/878897705.db2.gz FWANPPKFHNDHGX-QFIPXVFZSA-N 2 2 400.611 4.023 20 0 HIADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000465550517 879014518 /nfs/dbraw/zinc/01/45/18/879014518.db2.gz SZGZDCTTZUYGKY-YLJYHZDGSA-N 2 2 424.992 4.132 20 0 HIADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000465550517 879014540 /nfs/dbraw/zinc/01/45/40/879014540.db2.gz SZGZDCTTZUYGKY-YLJYHZDGSA-N 2 2 424.992 4.132 20 0 HIADLP CCSc1ccc([C@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000465886653 879541790 /nfs/dbraw/zinc/54/17/90/879541790.db2.gz GJGOAUUWBYBVDV-IBGZPJMESA-N 2 2 418.651 4.109 20 0 HIADLP CC(C)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1Cl ZINC000466024740 879712032 /nfs/dbraw/zinc/71/20/32/879712032.db2.gz FAXORDSUFPZOBP-NRFANRHFSA-N 2 2 421.029 4.287 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2ccc3c4c(cccc42)CC3)([NH+]2CCCCC2)CC1 ZINC000466140635 879850941 /nfs/dbraw/zinc/85/09/41/879850941.db2.gz JQLIGGASQXHKHV-UHFFFAOYSA-N 2 2 406.574 4.010 20 0 HIADLP CCc1ccc([C@@H](NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2cccs2)cc1 ZINC000467137060 880882603 /nfs/dbraw/zinc/88/26/03/880882603.db2.gz DJIHFKZQANQEHA-JOCHJYFZSA-N 2 2 408.571 4.119 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)([NH+]2CCCCC2)CC1 ZINC000469487654 883720435 /nfs/dbraw/zinc/72/04/35/883720435.db2.gz JSDOOTPIMDFDEP-UHFFFAOYSA-N 2 2 414.981 4.015 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C[C@H]1n1cc[nH+]c1 ZINC000469862896 884051998 /nfs/dbraw/zinc/05/19/98/884051998.db2.gz NYSUEHYQLFSTHW-ZRCGQRJVSA-N 2 2 409.578 4.050 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C[C@H]1n1cc[nH+]c1 ZINC000469862896 884052012 /nfs/dbraw/zinc/05/20/12/884052012.db2.gz NYSUEHYQLFSTHW-ZRCGQRJVSA-N 2 2 409.578 4.050 20 0 HIADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000469995080 884210534 /nfs/dbraw/zinc/21/05/34/884210534.db2.gz VVDBOVVNJPSCIQ-UHFFFAOYSA-N 2 2 402.542 4.124 20 0 HIADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000469995080 884210565 /nfs/dbraw/zinc/21/05/65/884210565.db2.gz VVDBOVVNJPSCIQ-UHFFFAOYSA-N 2 2 402.542 4.124 20 0 HIADLP C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471174636 885733828 /nfs/dbraw/zinc/73/38/28/885733828.db2.gz ADCWYTPORSIFPU-HKUYNNGSSA-N 2 2 421.570 4.304 20 0 HIADLP C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471174636 885733839 /nfs/dbraw/zinc/73/38/39/885733839.db2.gz ADCWYTPORSIFPU-HKUYNNGSSA-N 2 2 421.570 4.304 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471175330 885736003 /nfs/dbraw/zinc/73/60/03/885736003.db2.gz CPCWNBUBNHVIKF-DENIHFKCSA-N 2 2 404.514 4.286 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471175330 885736032 /nfs/dbraw/zinc/73/60/32/885736032.db2.gz CPCWNBUBNHVIKF-DENIHFKCSA-N 2 2 404.514 4.286 20 0 HIADLP C[N@H+](Cc1ccccc1Oc1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471180271 885745199 /nfs/dbraw/zinc/74/51/99/885745199.db2.gz BRYRKIKLCFNBBL-UHFFFAOYSA-N 2 2 402.542 4.408 20 0 HIADLP C[N@@H+](Cc1ccccc1Oc1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471180271 885745213 /nfs/dbraw/zinc/74/52/13/885745213.db2.gz BRYRKIKLCFNBBL-UHFFFAOYSA-N 2 2 402.542 4.408 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000471412435 886065123 /nfs/dbraw/zinc/06/51/23/886065123.db2.gz RBCDWMHISMDQFC-UHFFFAOYSA-N 2 2 414.981 4.497 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000471412435 886065134 /nfs/dbraw/zinc/06/51/34/886065134.db2.gz RBCDWMHISMDQFC-UHFFFAOYSA-N 2 2 414.981 4.497 20 0 HIADLP CC[NH+](CC)[C@@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccccc1 ZINC000504268689 913129085 /nfs/dbraw/zinc/12/90/85/913129085.db2.gz ZVMTVVGDAGSKIY-JOCHJYFZSA-N 2 2 406.530 4.000 20 0 HIADLP Cn1c2ccccc2nc1C(C)(C)[NH2+]CCC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000473173009 887950553 /nfs/dbraw/zinc/95/05/53/887950553.db2.gz XOVZQPSKOIDBBV-UHFFFAOYSA-N 2 2 418.589 4.200 20 0 HIADLP FC(F)(F)c1cc(Br)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000474148815 888976705 /nfs/dbraw/zinc/97/67/05/888976705.db2.gz FAVRGDMGUWPOOO-UHFFFAOYSA-N 2 2 421.301 4.012 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CCC(C(F)(F)F)CC1 ZINC000474610682 889475327 /nfs/dbraw/zinc/47/53/27/889475327.db2.gz GYEORJKMADCQOY-QHGAOEGBSA-N 2 2 414.512 4.244 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[N@@H+]3CCCC[C@@H]3C)cc1)C2 ZINC000474899452 889759327 /nfs/dbraw/zinc/75/93/27/889759327.db2.gz MUUDUJKJWGIPCG-GHTZIAJQSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[N@H+]3CCCC[C@@H]3C)cc1)C2 ZINC000474899452 889759338 /nfs/dbraw/zinc/75/93/38/889759338.db2.gz MUUDUJKJWGIPCG-GHTZIAJQSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[N@@H+]3CCCC[C@@H]3C)cc1)CC2 ZINC000474899452 889759348 /nfs/dbraw/zinc/75/93/48/889759348.db2.gz MUUDUJKJWGIPCG-GHTZIAJQSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[N@H+]3CCCC[C@@H]3C)cc1)CC2 ZINC000474899452 889759356 /nfs/dbraw/zinc/75/93/56/889759356.db2.gz MUUDUJKJWGIPCG-GHTZIAJQSA-N 2 2 408.590 4.329 20 0 HIADLP Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000474996559 889847516 /nfs/dbraw/zinc/84/75/16/889847516.db2.gz FMIDHVYMLUFWTJ-NRFANRHFSA-N 2 2 414.638 4.132 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000475111586 889960477 /nfs/dbraw/zinc/96/04/77/889960477.db2.gz OVAZVJMMERSSNX-NRSPTQNISA-N 2 2 408.590 4.322 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475111586 889960490 /nfs/dbraw/zinc/96/04/90/889960490.db2.gz OVAZVJMMERSSNX-NRSPTQNISA-N 2 2 408.590 4.322 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000475111586 889960503 /nfs/dbraw/zinc/96/05/03/889960503.db2.gz OVAZVJMMERSSNX-NRSPTQNISA-N 2 2 408.590 4.322 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475111586 889960514 /nfs/dbraw/zinc/96/05/14/889960514.db2.gz OVAZVJMMERSSNX-NRSPTQNISA-N 2 2 408.590 4.322 20 0 HIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc(Oc4cnccn4)cc3)C2)CC1 ZINC000475348756 890271724 /nfs/dbraw/zinc/27/17/24/890271724.db2.gz LSBIVNPPIQAMFR-UHFFFAOYSA-N 2 2 406.452 4.164 20 0 HIADLP Fc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1Br ZINC000475350107 890274607 /nfs/dbraw/zinc/27/46/07/890274607.db2.gz QAKSECRNGGGNPM-UHFFFAOYSA-N 2 2 409.265 4.483 20 0 HIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000475629674 890569468 /nfs/dbraw/zinc/56/94/68/890569468.db2.gz YOZCXNDHYNUIQW-INIZCTEOSA-N 2 2 423.317 4.354 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C1)C2 ZINC000476367730 891277479 /nfs/dbraw/zinc/27/74/79/891277479.db2.gz YWEFNXPUTRPZLV-ZFGGDYGUSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C1)C2 ZINC000476367730 891277501 /nfs/dbraw/zinc/27/75/01/891277501.db2.gz YWEFNXPUTRPZLV-ZFGGDYGUSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C1)CC2 ZINC000476367730 891277523 /nfs/dbraw/zinc/27/75/23/891277523.db2.gz YWEFNXPUTRPZLV-ZFGGDYGUSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C1)CC2 ZINC000476367730 891277538 /nfs/dbraw/zinc/27/75/38/891277538.db2.gz YWEFNXPUTRPZLV-ZFGGDYGUSA-N 2 2 420.601 4.151 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cn(C)c2ccccc12 ZINC000477697208 892815272 /nfs/dbraw/zinc/81/52/72/892815272.db2.gz CTAWBIOUBQAWOD-QTLGCAHFSA-N 2 2 424.633 4.077 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cn(C)c2ccccc12 ZINC000477697208 892815274 /nfs/dbraw/zinc/81/52/74/892815274.db2.gz CTAWBIOUBQAWOD-QTLGCAHFSA-N 2 2 424.633 4.077 20 0 HIADLP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000478981413 894258323 /nfs/dbraw/zinc/25/83/23/894258323.db2.gz HVXDZQLMMHZQER-UHFFFAOYSA-N 2 2 407.562 4.332 20 0 HIADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000479099133 894363568 /nfs/dbraw/zinc/36/35/68/894363568.db2.gz BWVGSVHEZLQVKF-UHFFFAOYSA-N 2 2 407.562 4.332 20 0 HIADLP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c[nH+]2)C[C@H](C)O1 ZINC000479477015 894800126 /nfs/dbraw/zinc/80/01/26/894800126.db2.gz QMXKYGJGSYPACO-STCSFILQSA-N 2 2 406.574 4.303 20 0 HIADLP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c[nH+]2)C[C@H](C)O1 ZINC000479477015 894800127 /nfs/dbraw/zinc/80/01/27/894800127.db2.gz QMXKYGJGSYPACO-STCSFILQSA-N 2 2 406.574 4.303 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479501451 894818210 /nfs/dbraw/zinc/81/82/10/894818210.db2.gz KTAFPUZJUQDQLU-WGJNNHPISA-N 2 2 409.540 4.292 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479501451 894818212 /nfs/dbraw/zinc/81/82/12/894818212.db2.gz KTAFPUZJUQDQLU-WGJNNHPISA-N 2 2 409.540 4.292 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000479501451 894818214 /nfs/dbraw/zinc/81/82/14/894818214.db2.gz KTAFPUZJUQDQLU-WGJNNHPISA-N 2 2 409.540 4.292 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000479501451 894818218 /nfs/dbraw/zinc/81/82/18/894818218.db2.gz KTAFPUZJUQDQLU-WGJNNHPISA-N 2 2 409.540 4.292 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479523528 894832955 /nfs/dbraw/zinc/83/29/55/894832955.db2.gz QFTZMXPDGBGQGO-DYESRHJHSA-N 2 2 407.480 4.065 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479523528 894832959 /nfs/dbraw/zinc/83/29/59/894832959.db2.gz QFTZMXPDGBGQGO-DYESRHJHSA-N 2 2 407.480 4.065 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1Br ZINC000479890055 895237071 /nfs/dbraw/zinc/23/70/71/895237071.db2.gz UHMADKYEFNGHPQ-OAHLLOKOSA-N 2 2 407.327 4.271 20 0 HIADLP C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000480217808 895620350 /nfs/dbraw/zinc/62/03/50/895620350.db2.gz BBXDNHBPOPMCAO-VGOFRKELSA-N 2 2 412.965 4.454 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000480239172 895648989 /nfs/dbraw/zinc/64/89/89/895648989.db2.gz GRDPNBBSFLPEKH-LJQANCHMSA-N 2 2 421.614 4.376 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480265207 895674059 /nfs/dbraw/zinc/67/40/59/895674059.db2.gz MAXXNRMHEPMIBK-JPYJTQIMSA-N 2 2 410.949 4.250 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000480613791 895980567 /nfs/dbraw/zinc/98/05/67/895980567.db2.gz MSQZBJIMYAMDFL-OAHLLOKOSA-N 2 2 406.357 4.232 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000481176229 896510932 /nfs/dbraw/zinc/51/09/32/896510932.db2.gz XLYFWVVJIKCXHJ-SEIRJHJZSA-N 2 2 411.615 4.300 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000481176229 896510945 /nfs/dbraw/zinc/51/09/45/896510945.db2.gz XLYFWVVJIKCXHJ-SEIRJHJZSA-N 2 2 411.615 4.300 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000481203400 896557153 /nfs/dbraw/zinc/55/71/53/896557153.db2.gz MYCDVAGQYALZLD-KRWDZBQOSA-N 2 2 424.463 4.147 20 0 HIADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481211764 896565254 /nfs/dbraw/zinc/56/52/54/896565254.db2.gz XXUANCCSLQOYSB-QGZVFWFLSA-N 2 2 417.619 4.311 20 0 HIADLP Brc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481322089 896675881 /nfs/dbraw/zinc/67/58/81/896675881.db2.gz QIUJSPFBSHPZFE-NRFANRHFSA-N 2 2 401.348 4.058 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2ccsc2S1 ZINC000481404185 896810515 /nfs/dbraw/zinc/81/05/15/896810515.db2.gz MQVYSDYGKOKRHK-OXJNMPFZSA-N 2 2 404.601 4.174 20 0 HIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481410823 896816320 /nfs/dbraw/zinc/81/63/20/896816320.db2.gz YONPHNAGZQCBMU-SFHVURJKSA-N 2 2 418.965 4.301 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(-c2ccncc2)c1 ZINC000481420227 896822689 /nfs/dbraw/zinc/82/26/89/896822689.db2.gz OOWLNANZAPRUOW-OAQYLSRUSA-N 2 2 417.553 4.310 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000481658359 897041282 /nfs/dbraw/zinc/04/12/82/897041282.db2.gz NKQBXPKFWGUURB-HXUWFJFHSA-N 2 2 402.542 4.236 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000481658359 897041295 /nfs/dbraw/zinc/04/12/95/897041295.db2.gz NKQBXPKFWGUURB-HXUWFJFHSA-N 2 2 402.542 4.236 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481731780 897125164 /nfs/dbraw/zinc/12/51/64/897125164.db2.gz DNDZBKDJBBYZAY-BKMJKUGQSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481731780 897125181 /nfs/dbraw/zinc/12/51/81/897125181.db2.gz DNDZBKDJBBYZAY-BKMJKUGQSA-N 3 2 406.618 4.458 20 0 HIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482037781 897454848 /nfs/dbraw/zinc/45/48/48/897454848.db2.gz XHSZDZMUBGKCQG-PXNSSMCTSA-N 2 2 414.619 4.020 20 0 HIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482037781 897454856 /nfs/dbraw/zinc/45/48/56/897454856.db2.gz XHSZDZMUBGKCQG-PXNSSMCTSA-N 2 2 414.619 4.020 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000482128181 897586154 /nfs/dbraw/zinc/58/61/54/897586154.db2.gz QDNURGWFCLNOQM-DAYGRLMNSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000482128181 897586164 /nfs/dbraw/zinc/58/61/64/897586164.db2.gz QDNURGWFCLNOQM-DAYGRLMNSA-N 2 2 416.393 4.047 20 0 HIADLP C[C@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nc(-c2ccccc2)cs1 ZINC000482131472 897589053 /nfs/dbraw/zinc/58/90/53/897589053.db2.gz WTTBDQRCDLUQKR-IBGZPJMESA-N 2 2 407.587 4.068 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2ccccc2)[C@@H](C)C1 ZINC000482162876 897628394 /nfs/dbraw/zinc/62/83/94/897628394.db2.gz JSHSNQLRZYGTRE-IMSXRSKXSA-N 2 2 423.601 4.407 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2ccccc2)[C@@H](C)C1 ZINC000482162876 897628401 /nfs/dbraw/zinc/62/84/01/897628401.db2.gz JSHSNQLRZYGTRE-IMSXRSKXSA-N 2 2 423.601 4.407 20 0 HIADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC1CCCC1 ZINC000482439175 898000372 /nfs/dbraw/zinc/00/03/72/898000372.db2.gz OAEWZJHQPMTGOH-XXBNENTESA-N 2 2 409.574 4.412 20 0 HIADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC1CCCC1 ZINC000482439175 898000392 /nfs/dbraw/zinc/00/03/92/898000392.db2.gz OAEWZJHQPMTGOH-XXBNENTESA-N 2 2 409.574 4.412 20 0 HIADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000482742696 898345708 /nfs/dbraw/zinc/34/57/08/898345708.db2.gz JIJZZFAHORRPHE-QFBILLFUSA-N 2 2 403.567 4.009 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000482888275 898504084 /nfs/dbraw/zinc/50/40/84/898504084.db2.gz JKMNQDCIVMTVFF-GFCCVEGCSA-N 2 2 406.785 4.240 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000483125897 898811180 /nfs/dbraw/zinc/81/11/80/898811180.db2.gz JXVNRUUXWFLOMF-UWJYYQICSA-N 2 2 414.391 4.376 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000483125897 898811184 /nfs/dbraw/zinc/81/11/84/898811184.db2.gz JXVNRUUXWFLOMF-UWJYYQICSA-N 2 2 414.391 4.376 20 0 HIADLP C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483463383 899102885 /nfs/dbraw/zinc/10/28/85/899102885.db2.gz NYXPJGOWMXVREB-IAGOWNOFSA-N 2 2 419.447 4.273 20 0 HIADLP Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)cc1F ZINC000483537687 899199738 /nfs/dbraw/zinc/19/97/38/899199738.db2.gz PVYJPBOELVFICI-UHFFFAOYSA-N 2 2 420.532 4.157 20 0 HIADLP CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccccc3N3CC[NH+](CC)CC3)n2)cc1 ZINC000483646348 899303693 /nfs/dbraw/zinc/30/36/93/899303693.db2.gz CTSHUQPMMVZYHD-LJQANCHMSA-N 2 2 419.573 4.292 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000483953940 899604257 /nfs/dbraw/zinc/60/42/57/899604257.db2.gz WYRMNKVGTVBNMU-GOSISDBHSA-N 2 2 409.921 4.080 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000483953940 899604259 /nfs/dbraw/zinc/60/42/59/899604259.db2.gz WYRMNKVGTVBNMU-GOSISDBHSA-N 2 2 409.921 4.080 20 0 HIADLP Cc1c([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000484133159 899754370 /nfs/dbraw/zinc/75/43/70/899754370.db2.gz JKIJSCLRRJTDTH-INIZCTEOSA-N 2 2 410.953 4.252 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2ccncc2)cc1 ZINC000484145581 899767217 /nfs/dbraw/zinc/76/72/17/899767217.db2.gz NBTCRHKJFNYKRZ-LZYPDUGYSA-N 2 2 401.554 4.282 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2ccncc2)cc1 ZINC000484145581 899767222 /nfs/dbraw/zinc/76/72/22/899767222.db2.gz NBTCRHKJFNYKRZ-LZYPDUGYSA-N 2 2 401.554 4.282 20 0 HIADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1OCC ZINC000484161366 899782569 /nfs/dbraw/zinc/78/25/69/899782569.db2.gz JJAANEMAXIQQIQ-PMOQBDJRSA-N 2 2 412.574 4.018 20 0 HIADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1OCC ZINC000484161366 899782576 /nfs/dbraw/zinc/78/25/76/899782576.db2.gz JJAANEMAXIQQIQ-PMOQBDJRSA-N 2 2 412.574 4.018 20 0 HIADLP CSc1cccc(N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C2CC[NH+](C)CC2)c1 ZINC000484285401 899851781 /nfs/dbraw/zinc/85/17/81/899851781.db2.gz QZGYRZKNDODIQO-UHFFFAOYSA-N 2 2 420.582 4.394 20 0 HIADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC(F)F)c1 ZINC000484496889 899988500 /nfs/dbraw/zinc/98/85/00/899988500.db2.gz BXNAEUJNGABCNI-LAUBAEHRSA-N 2 2 419.516 4.472 20 0 HIADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC(F)F)c1 ZINC000484496889 899988510 /nfs/dbraw/zinc/98/85/10/899988510.db2.gz BXNAEUJNGABCNI-LAUBAEHRSA-N 2 2 419.516 4.472 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCCC1)c1ccccc1 ZINC000485771238 901027635 /nfs/dbraw/zinc/02/76/35/901027635.db2.gz CEJFBNDXRLGENW-SFTDATJTSA-N 2 2 423.605 4.048 20 0 HIADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000485796351 901049463 /nfs/dbraw/zinc/04/94/63/901049463.db2.gz IHLSZVRSLIVNHW-UHFFFAOYSA-N 2 2 416.367 4.225 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000489251111 903288717 /nfs/dbraw/zinc/28/87/17/903288717.db2.gz DOZZCGNHNLATOM-SFHVURJKSA-N 2 2 412.603 4.369 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000489251111 903288737 /nfs/dbraw/zinc/28/87/37/903288737.db2.gz DOZZCGNHNLATOM-SFHVURJKSA-N 2 2 412.603 4.369 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000489253159 903289898 /nfs/dbraw/zinc/28/98/98/903289898.db2.gz HOHXBMYYNDMWGJ-RTBURBONSA-N 2 2 412.553 4.025 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000489253159 903289902 /nfs/dbraw/zinc/28/99/02/903289902.db2.gz HOHXBMYYNDMWGJ-RTBURBONSA-N 2 2 412.553 4.025 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000489292298 903313324 /nfs/dbraw/zinc/31/33/24/903313324.db2.gz MWJDJIWPAWMQAZ-KRWDZBQOSA-N 2 2 423.586 4.257 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000489292298 903313333 /nfs/dbraw/zinc/31/33/33/903313333.db2.gz MWJDJIWPAWMQAZ-KRWDZBQOSA-N 2 2 423.586 4.257 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000506041861 914730789 /nfs/dbraw/zinc/73/07/89/914730789.db2.gz MRTHMCKEBDYDRZ-LJQANCHMSA-N 2 2 422.013 4.108 20 0 HIADLP CSc1cccc([C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccc(F)c(F)c2)c1 ZINC000490158390 903800209 /nfs/dbraw/zinc/80/02/09/903800209.db2.gz RFCDNYMWKXPWJD-QFIPXVFZSA-N 2 2 406.542 4.213 20 0 HIADLP Cc1ccc(C)c([C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000490171862 903809406 /nfs/dbraw/zinc/80/94/06/903809406.db2.gz JEQHSOZKORWARQ-VWLOTQADSA-N 2 2 400.570 4.329 20 0 HIADLP Cc1nc([C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490632582 904148209 /nfs/dbraw/zinc/14/82/09/904148209.db2.gz WWKUMPVIUMSAKE-MMOPVJDHSA-N 2 2 416.997 4.322 20 0 HIADLP Cc1nc([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490632582 904148218 /nfs/dbraw/zinc/14/82/18/904148218.db2.gz WWKUMPVIUMSAKE-MMOPVJDHSA-N 2 2 416.997 4.322 20 0 HIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490983459 904348917 /nfs/dbraw/zinc/34/89/17/904348917.db2.gz CPCFWUWXXZSMSU-HLIPFELVSA-N 2 2 402.970 4.014 20 0 HIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490983459 904348931 /nfs/dbraw/zinc/34/89/31/904348931.db2.gz CPCFWUWXXZSMSU-HLIPFELVSA-N 2 2 402.970 4.014 20 0 HIADLP CCOc1ccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000491024569 904375456 /nfs/dbraw/zinc/37/54/56/904375456.db2.gz UEFHSIQMLYSHPN-JPYJTQIMSA-N 2 2 401.982 4.054 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H](c3cnn(C)c3)c3cccc(F)c3)cc2)C[C@@H](C)O1 ZINC000491316111 904532113 /nfs/dbraw/zinc/53/21/13/904532113.db2.gz KDAHGVXUKIFEAX-MPCDZSKCSA-N 2 2 422.548 4.048 20 0 HIADLP O=C(NCc1ccccc1C[NH+]1CCCCCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491894685 904722232 /nfs/dbraw/zinc/72/22/32/904722232.db2.gz ZQMMIJYDWANLIY-UHFFFAOYSA-N 2 2 418.545 4.024 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCCC1)c1ccccc1 ZINC000492236969 904822081 /nfs/dbraw/zinc/82/20/81/904822081.db2.gz OICMJIPXPOIOKM-IBGZPJMESA-N 2 2 418.545 4.112 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494482727 905766211 /nfs/dbraw/zinc/76/62/11/905766211.db2.gz LTJRJRNJJOQBCO-AVRDEDQJSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494482727 905766233 /nfs/dbraw/zinc/76/62/33/905766233.db2.gz LTJRJRNJJOQBCO-AVRDEDQJSA-N 2 2 406.505 4.408 20 0 HIADLP Cc1nc(COc2ccc(C[NH2+]C[C@@]3(C)CCC[N@@H+]3Cc3ccccc3)cc2)no1 ZINC000494485531 905768915 /nfs/dbraw/zinc/76/89/15/905768915.db2.gz SFEAFBUXNOWFAS-XMMPIXPASA-N 2 2 406.530 4.101 20 0 HIADLP Cc1nc(COc2ccc(C[NH2+]C[C@@]3(C)CCC[N@H+]3Cc3ccccc3)cc2)no1 ZINC000494485531 905768929 /nfs/dbraw/zinc/76/89/29/905768929.db2.gz SFEAFBUXNOWFAS-XMMPIXPASA-N 2 2 406.530 4.101 20 0 HIADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000494999713 906161123 /nfs/dbraw/zinc/16/11/23/906161123.db2.gz SANDQSOCQLXYRS-MAUKXSAKSA-N 2 2 407.345 4.260 20 0 HIADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000494999713 906161131 /nfs/dbraw/zinc/16/11/31/906161131.db2.gz SANDQSOCQLXYRS-MAUKXSAKSA-N 2 2 407.345 4.260 20 0 HIADLP c1n[nH]c([C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)C2CCCCC2)n1 ZINC000495071094 906221372 /nfs/dbraw/zinc/22/13/72/906221372.db2.gz BGJNPCXMXZNFPA-HSZRJFAPSA-N 2 2 411.594 4.087 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495416399 906437778 /nfs/dbraw/zinc/43/77/78/906437778.db2.gz ZMYQNNAQNZJLLK-ZJSXRUAMSA-N 3 2 409.593 4.333 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495416399 906437779 /nfs/dbraw/zinc/43/77/79/906437779.db2.gz ZMYQNNAQNZJLLK-ZJSXRUAMSA-N 3 2 409.593 4.333 20 0 HIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000512660440 921278795 /nfs/dbraw/zinc/27/87/95/921278795.db2.gz NFTPFLKPAJSYBI-KKUQBAQOSA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000512660440 921278799 /nfs/dbraw/zinc/27/87/99/921278799.db2.gz NFTPFLKPAJSYBI-KKUQBAQOSA-N 3 2 400.570 4.322 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469728 906947476 /nfs/dbraw/zinc/94/74/76/906947476.db2.gz JCQLXUOEMNWGKA-PKTZIBPZSA-N 2 2 413.512 4.124 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469728 906947496 /nfs/dbraw/zinc/94/74/96/906947496.db2.gz JCQLXUOEMNWGKA-PKTZIBPZSA-N 2 2 413.512 4.124 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469728 906947504 /nfs/dbraw/zinc/94/75/04/906947504.db2.gz JCQLXUOEMNWGKA-PKTZIBPZSA-N 2 2 413.512 4.124 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469728 906947523 /nfs/dbraw/zinc/94/75/23/906947523.db2.gz JCQLXUOEMNWGKA-PKTZIBPZSA-N 2 2 413.512 4.124 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000498350424 907852144 /nfs/dbraw/zinc/85/21/44/907852144.db2.gz XHISDJVWXAJZOU-DLBZAZTESA-N 2 2 416.610 4.400 20 0 HIADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccc5ccccc5c4)C3)CC2)nc1 ZINC000498557247 908018117 /nfs/dbraw/zinc/01/81/17/908018117.db2.gz VUHDZRDKTGMTOM-QHCPKHFHSA-N 2 2 400.570 4.269 20 0 HIADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccc5ccccc5c4)C3)CC2)nc1 ZINC000498557247 908018133 /nfs/dbraw/zinc/01/81/33/908018133.db2.gz VUHDZRDKTGMTOM-QHCPKHFHSA-N 2 2 400.570 4.269 20 0 HIADLP O[C@H](Cn1c2ccccc2c2ccccc21)C[N@H+](CCn1cc[nH+]c1)Cc1ccco1 ZINC000499001183 908379202 /nfs/dbraw/zinc/37/92/02/908379202.db2.gz RSWYMINXBFOXIM-FQEVSTJZSA-N 2 2 414.509 4.147 20 0 HIADLP O[C@H](Cn1c2ccccc2c2ccccc21)C[N@@H+](CCn1cc[nH+]c1)Cc1ccco1 ZINC000499001183 908379222 /nfs/dbraw/zinc/37/92/22/908379222.db2.gz RSWYMINXBFOXIM-FQEVSTJZSA-N 2 2 414.509 4.147 20 0 HIADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)CCO1 ZINC000499144125 908502030 /nfs/dbraw/zinc/50/20/30/908502030.db2.gz VHMHWWXCJUXDFL-OAHAWELDSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)CCO1 ZINC000499144125 908502040 /nfs/dbraw/zinc/50/20/40/908502040.db2.gz VHMHWWXCJUXDFL-OAHAWELDSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)CCO1 ZINC000499144125 908502042 /nfs/dbraw/zinc/50/20/42/908502042.db2.gz VHMHWWXCJUXDFL-OAHAWELDSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)CCO1 ZINC000499144125 908502049 /nfs/dbraw/zinc/50/20/49/908502049.db2.gz VHMHWWXCJUXDFL-OAHAWELDSA-N 3 2 419.613 4.193 20 0 HIADLP c1c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000513045695 921505063 /nfs/dbraw/zinc/50/50/63/921505063.db2.gz GDORDZXUQLXQBY-UHFFFAOYSA-N 2 2 410.525 4.088 20 0 HIADLP c1ccc(CC2CC[NH+](CCCC[NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000513060651 921517245 /nfs/dbraw/zinc/51/72/45/921517245.db2.gz YUDOPZPRTXMZSM-UHFFFAOYSA-N 3 2 406.618 4.375 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](C3CCC3)CC2)n1 ZINC000500425656 909849805 /nfs/dbraw/zinc/84/98/05/909849805.db2.gz OGDGIUIXYJWEJP-UHFFFAOYSA-N 2 2 407.587 4.094 20 0 HIADLP CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cccc(C[NH+](C)Cc4ccccc4)c3)n2)C1 ZINC000500866318 910137919 /nfs/dbraw/zinc/13/79/19/910137919.db2.gz MEWHQHLAGFCWJW-QFIPXVFZSA-N 2 2 406.530 4.150 20 0 HIADLP CC(C)[N@H+]1CCO[C@H](c2noc(-c3cccc(C[NH+](C)Cc4ccccc4)c3)n2)C1 ZINC000500866318 910137935 /nfs/dbraw/zinc/13/79/35/910137935.db2.gz MEWHQHLAGFCWJW-QFIPXVFZSA-N 2 2 406.530 4.150 20 0 HIADLP CC(C)[NH+]1CCO[C@H](c2noc(-c3cccc(C[N@H+](C)Cc4ccccc4)c3)n2)C1 ZINC000500866318 910137948 /nfs/dbraw/zinc/13/79/48/910137948.db2.gz MEWHQHLAGFCWJW-QFIPXVFZSA-N 2 2 406.530 4.150 20 0 HIADLP CC(C)[NH+]1CCO[C@H](c2noc(-c3cccc(C[N@@H+](C)Cc4ccccc4)c3)n2)C1 ZINC000500866318 910137960 /nfs/dbraw/zinc/13/79/60/910137960.db2.gz MEWHQHLAGFCWJW-QFIPXVFZSA-N 2 2 406.530 4.150 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccsc1 ZINC000501519836 910629667 /nfs/dbraw/zinc/62/96/67/910629667.db2.gz VFBXWNWMABYELE-HSZRJFAPSA-N 2 2 422.598 4.031 20 0 HIADLP Fc1ccc(CN2CCC[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c(Cl)c1 ZINC000513233961 921647152 /nfs/dbraw/zinc/64/71/52/921647152.db2.gz QFFDAJMKOJXAME-HXUWFJFHSA-N 2 2 402.945 4.097 20 0 HIADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503055443 912020641 /nfs/dbraw/zinc/02/06/41/912020641.db2.gz WGFDSNLLTYAGQD-PBHICJAKSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503055443 912020660 /nfs/dbraw/zinc/02/06/60/912020660.db2.gz WGFDSNLLTYAGQD-PBHICJAKSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503055447 912020749 /nfs/dbraw/zinc/02/07/49/912020749.db2.gz WGFDSNLLTYAGQD-YOEHRIQHSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503055447 912020762 /nfs/dbraw/zinc/02/07/62/912020762.db2.gz WGFDSNLLTYAGQD-YOEHRIQHSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503070791 912037459 /nfs/dbraw/zinc/03/74/59/912037459.db2.gz DHCDBCVTCPMJCI-WTIAFYNJSA-N 2 2 408.590 4.427 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503070791 912037479 /nfs/dbraw/zinc/03/74/79/912037479.db2.gz DHCDBCVTCPMJCI-WTIAFYNJSA-N 2 2 408.590 4.427 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503073946 912040546 /nfs/dbraw/zinc/04/05/46/912040546.db2.gz JCCCSUGBNIWAIT-JLGINSKQSA-N 2 2 420.582 4.002 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503073946 912040560 /nfs/dbraw/zinc/04/05/60/912040560.db2.gz JCCCSUGBNIWAIT-JLGINSKQSA-N 2 2 420.582 4.002 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000513424856 921793561 /nfs/dbraw/zinc/79/35/61/921793561.db2.gz LJAWDPKXJPWHRQ-IBGZPJMESA-N 2 2 421.541 4.287 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000513424856 921793578 /nfs/dbraw/zinc/79/35/78/921793578.db2.gz LJAWDPKXJPWHRQ-IBGZPJMESA-N 2 2 421.541 4.287 20 0 HIADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000507044308 915838623 /nfs/dbraw/zinc/83/86/23/915838623.db2.gz GTRLJUMKKFNZDA-JOCHJYFZSA-N 2 2 423.605 4.150 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000507071738 915852708 /nfs/dbraw/zinc/85/27/08/915852708.db2.gz GBKCLAILYBWIIV-FYYLOGMGSA-N 2 2 423.605 4.192 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000507071743 915853049 /nfs/dbraw/zinc/85/30/49/915853049.db2.gz GBKCLAILYBWIIV-GMAHTHKFSA-N 2 2 423.605 4.192 20 0 HIADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508807153 917562367 /nfs/dbraw/zinc/56/23/67/917562367.db2.gz BTVONZSLMFVSTD-OAQYLSRUSA-N 2 2 414.431 4.265 20 0 HIADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508807153 917562377 /nfs/dbraw/zinc/56/23/77/917562377.db2.gz BTVONZSLMFVSTD-OAQYLSRUSA-N 2 2 414.431 4.265 20 0 HIADLP Cc1[nH+]ccn1CCCNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000509436443 918092512 /nfs/dbraw/zinc/09/25/12/918092512.db2.gz BVCBGYYVPMCDFN-UHFFFAOYSA-N 2 2 406.559 4.427 20 0 HIADLP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509487342 918131996 /nfs/dbraw/zinc/13/19/96/918131996.db2.gz HRFDZEQMOKIVCE-FQEVSTJZSA-N 2 2 419.573 4.128 20 0 HIADLP Brc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000510655075 919095155 /nfs/dbraw/zinc/09/51/55/919095155.db2.gz FWMBCZDOPMMDTA-OAQYLSRUSA-N 2 2 401.348 4.058 20 0 HIADLP Cc1cccc([C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2cccc(F)c2)c1 ZINC000510704645 919143694 /nfs/dbraw/zinc/14/36/94/919143694.db2.gz OIXCCYRUOSVHCH-RUZDIDTESA-N 2 2 404.533 4.160 20 0 HIADLP c1csc(N2CCC([NH2+][C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3c3ccccc3)CC2)n1 ZINC000511050783 919645627 /nfs/dbraw/zinc/64/56/27/919645627.db2.gz UKWZGXIWNKQTOM-BJKOFHAPSA-N 2 2 418.610 4.370 20 0 HIADLP c1csc(N2CCC([NH2+][C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3c3ccccc3)CC2)n1 ZINC000511050783 919645646 /nfs/dbraw/zinc/64/56/46/919645646.db2.gz UKWZGXIWNKQTOM-BJKOFHAPSA-N 2 2 418.610 4.370 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000511423044 920038614 /nfs/dbraw/zinc/03/86/14/920038614.db2.gz VCVSFLZSQIMYPA-UHFFFAOYSA-N 2 2 424.548 4.493 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000511423044 920038631 /nfs/dbraw/zinc/03/86/31/920038631.db2.gz VCVSFLZSQIMYPA-UHFFFAOYSA-N 2 2 424.548 4.493 20 0 HIADLP Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000511994572 920762692 /nfs/dbraw/zinc/76/26/92/920762692.db2.gz VNWGSEKKDMXQJA-FGZHOGPDSA-N 2 2 406.014 4.366 20 0 HIADLP Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000511994572 920762715 /nfs/dbraw/zinc/76/27/15/920762715.db2.gz VNWGSEKKDMXQJA-FGZHOGPDSA-N 2 2 406.014 4.366 20 0 HIADLP OCC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000512182938 920925226 /nfs/dbraw/zinc/92/52/26/920925226.db2.gz SVHYONMWWFFXHT-KNQAVFIVSA-N 2 2 423.384 4.298 20 0 HIADLP OCC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000512182938 920925245 /nfs/dbraw/zinc/92/52/45/920925245.db2.gz SVHYONMWWFFXHT-KNQAVFIVSA-N 2 2 423.384 4.298 20 0 HIADLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000512272625 921026585 /nfs/dbraw/zinc/02/65/85/921026585.db2.gz TYSWNHGOEWWDPE-UHFFFAOYSA-N 2 2 406.621 4.254 20 0 HIADLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000512272625 921026599 /nfs/dbraw/zinc/02/65/99/921026599.db2.gz TYSWNHGOEWWDPE-UHFFFAOYSA-N 2 2 406.621 4.254 20 0 HIADLP C[N@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512290510 921044978 /nfs/dbraw/zinc/04/49/78/921044978.db2.gz YZOMSNYVMWPPME-OAQYLSRUSA-N 2 2 422.491 4.042 20 0 HIADLP C[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512290510 921044991 /nfs/dbraw/zinc/04/49/91/921044991.db2.gz YZOMSNYVMWPPME-OAQYLSRUSA-N 2 2 422.491 4.042 20 0 HIADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000514088212 922412906 /nfs/dbraw/zinc/41/29/06/922412906.db2.gz KPAMTCITUXHXNC-VWLOTQADSA-N 2 2 412.537 4.451 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)c2C)cc1 ZINC000516893787 923929761 /nfs/dbraw/zinc/92/97/61/923929761.db2.gz CFGZTHUMWSFAKO-UHFFFAOYSA-N 2 2 415.541 4.091 20 0 HIADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3csc(Cl)c3Cl)CC2)C[C@H](C)O1 ZINC000516997784 923960970 /nfs/dbraw/zinc/96/09/70/923960970.db2.gz MBWJQWKOXSVTJL-OKILXGFUSA-N 2 2 407.407 4.145 20 0 HIADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3csc(Cl)c3Cl)CC2)C[C@H](C)O1 ZINC000516997784 923960972 /nfs/dbraw/zinc/96/09/72/923960972.db2.gz MBWJQWKOXSVTJL-OKILXGFUSA-N 2 2 407.407 4.145 20 0 HIADLP CCCC[N@H+](C)CC1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000517129188 924013779 /nfs/dbraw/zinc/01/37/79/924013779.db2.gz IZAQHUKOZXAWEI-FQEVSTJZSA-N 2 2 416.610 4.056 20 0 HIADLP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000517129188 924013793 /nfs/dbraw/zinc/01/37/93/924013793.db2.gz IZAQHUKOZXAWEI-FQEVSTJZSA-N 2 2 416.610 4.056 20 0 HIADLP CC(C)c1ccc(C2(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCCC2)cc1 ZINC000517461884 924206471 /nfs/dbraw/zinc/20/64/71/924206471.db2.gz SBCOAXZIFUJNOI-UHFFFAOYSA-N 2 2 411.634 4.297 20 0 HIADLP CC[NH+](CC)CCOc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000518476638 927298264 /nfs/dbraw/zinc/29/82/64/927298264.db2.gz ADURJTDITCLTQK-UHFFFAOYSA-N 2 2 416.591 4.102 20 0 HIADLP O=C(NCCCCNc1cccc[nH+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000519210248 927829066 /nfs/dbraw/zinc/82/90/66/927829066.db2.gz TXPFVEBZURFOFF-UHFFFAOYSA-N 2 2 409.578 4.149 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccccc1 ZINC000520491652 928596781 /nfs/dbraw/zinc/59/67/81/928596781.db2.gz KBVXJXDDASIMIR-FXAWDEMLSA-N 2 2 400.592 4.397 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccccc1 ZINC000520491652 928596788 /nfs/dbraw/zinc/59/67/88/928596788.db2.gz KBVXJXDDASIMIR-FXAWDEMLSA-N 2 2 400.592 4.397 20 0 HIADLP O=C(C[N@@H+]1CCCCC[C@@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000520788632 928819313 /nfs/dbraw/zinc/81/93/13/928819313.db2.gz OAGFHLXVQXTBAH-XMMPIXPASA-N 2 2 407.558 4.075 20 0 HIADLP O=C(C[N@H+]1CCCCC[C@@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000520788632 928819317 /nfs/dbraw/zinc/81/93/17/928819317.db2.gz OAGFHLXVQXTBAH-XMMPIXPASA-N 2 2 407.558 4.075 20 0 HIADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 ZINC000520956190 928888861 /nfs/dbraw/zinc/88/88/61/928888861.db2.gz FIGVQGZPYKVDDW-SFTDATJTSA-N 2 2 404.558 4.128 20 0 HIADLP c1ccc(-c2ccc(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)cc2)cc1 ZINC000521834018 929485038 /nfs/dbraw/zinc/48/50/38/929485038.db2.gz RSVHYNXOSMJVMP-UHFFFAOYSA-N 2 2 402.538 4.354 20 0 HIADLP C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000524878037 929869102 /nfs/dbraw/zinc/86/91/02/929869102.db2.gz UXCJXORHEAWTEW-FQEVSTJZSA-N 2 2 412.622 4.118 20 0 HIADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000525820794 930456773 /nfs/dbraw/zinc/45/67/73/930456773.db2.gz CGBDZMXZXRPSQZ-JWQCQUIFSA-N 2 2 421.585 4.116 20 0 HIADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000525820794 930456778 /nfs/dbraw/zinc/45/67/78/930456778.db2.gz CGBDZMXZXRPSQZ-JWQCQUIFSA-N 2 2 421.585 4.116 20 0 HIADLP c1cn(-c2ccc(C[NH2+]CCCOC3CC[NH+](Cc4ccccc4)CC3)cc2)c[nH+]1 ZINC000530664564 930791173 /nfs/dbraw/zinc/79/11/73/930791173.db2.gz DXFGNOHNBXHPML-UHFFFAOYSA-N 3 2 404.558 4.033 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000531651979 931140203 /nfs/dbraw/zinc/14/02/03/931140203.db2.gz JROPDVJVEDDJCT-OXJNMPFZSA-N 2 2 410.389 4.075 20 0 HIADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000531651979 931140205 /nfs/dbraw/zinc/14/02/05/931140205.db2.gz JROPDVJVEDDJCT-OXJNMPFZSA-N 2 2 410.389 4.075 20 0 HIADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000531683894 931151699 /nfs/dbraw/zinc/15/16/99/931151699.db2.gz LZWIGUIJWPLGQP-LJQANCHMSA-N 2 2 418.607 4.015 20 0 HIADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000531951564 931260834 /nfs/dbraw/zinc/26/08/34/931260834.db2.gz INBJJYGNQDFRPY-OAHLLOKOSA-N 2 2 413.319 4.142 20 0 HIADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000532016226 931285079 /nfs/dbraw/zinc/28/50/79/931285079.db2.gz MHPKJNUPKOGDCE-WOJBJXKFSA-N 2 2 419.363 4.177 20 0 HIADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000532105487 931313618 /nfs/dbraw/zinc/31/36/18/931313618.db2.gz CXQFWKJOUSLVNS-LJQANCHMSA-N 2 2 407.562 4.486 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000532212113 931355200 /nfs/dbraw/zinc/35/52/00/931355200.db2.gz XLZOKPXRIPEYLN-NBGIEHNGSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000532212113 931355210 /nfs/dbraw/zinc/35/52/10/931355210.db2.gz XLZOKPXRIPEYLN-NBGIEHNGSA-N 2 2 402.542 4.056 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H](C)C1 ZINC000532461229 931445723 /nfs/dbraw/zinc/44/57/23/931445723.db2.gz BRAGNURPVUJDAB-VJBMBRPKSA-N 2 2 408.030 4.204 20 0 HIADLP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H](C)C1 ZINC000532461229 931445728 /nfs/dbraw/zinc/44/57/28/931445728.db2.gz BRAGNURPVUJDAB-VJBMBRPKSA-N 2 2 408.030 4.204 20 0 HIADLP Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cc2)cc1 ZINC000532950514 931708165 /nfs/dbraw/zinc/70/81/65/931708165.db2.gz MTARFFZLVBPOQI-UHFFFAOYSA-N 2 2 414.615 4.380 20 0 HIADLP Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cc2)cc1 ZINC000532950514 931708170 /nfs/dbraw/zinc/70/81/70/931708170.db2.gz MTARFFZLVBPOQI-UHFFFAOYSA-N 2 2 414.615 4.380 20 0 HIADLP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532956648 931711144 /nfs/dbraw/zinc/71/11/44/931711144.db2.gz CMRULIUQOWJIMH-IXDOHACOSA-N 2 2 406.521 4.314 20 0 HIADLP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532956648 931711154 /nfs/dbraw/zinc/71/11/54/931711154.db2.gz CMRULIUQOWJIMH-IXDOHACOSA-N 2 2 406.521 4.314 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC000533084173 931767504 /nfs/dbraw/zinc/76/75/04/931767504.db2.gz ANAWTSRODCGXTQ-HSZRJFAPSA-N 2 2 411.594 4.003 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC000533084173 931767508 /nfs/dbraw/zinc/76/75/08/931767508.db2.gz ANAWTSRODCGXTQ-HSZRJFAPSA-N 2 2 411.594 4.003 20 0 HIADLP C[NH+](C)CCCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C(c1ccccc1)c1ccccc1 ZINC000533089211 931768768 /nfs/dbraw/zinc/76/87/68/931768768.db2.gz YYSWSSMQBZMOAV-QHCPKHFHSA-N 2 2 416.569 4.015 20 0 HIADLP CC[N@H+](CC(=O)Nc1cccc(C)c1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533023 931896242 /nfs/dbraw/zinc/89/62/42/931896242.db2.gz GBAKCPOUECTEIJ-UHFFFAOYSA-N 2 2 423.605 4.455 20 0 HIADLP CC[N@@H+](CC(=O)Nc1cccc(C)c1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533023 931896246 /nfs/dbraw/zinc/89/62/46/931896246.db2.gz GBAKCPOUECTEIJ-UHFFFAOYSA-N 2 2 423.605 4.455 20 0 HIADLP C[C@@H]1CCc2c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)csc2C1 ZINC000533648464 931944655 /nfs/dbraw/zinc/94/46/55/931944655.db2.gz OGAVEPKYVBOTGV-YHYVQYDKSA-N 2 2 417.663 4.282 20 0 HIADLP C[C@@H]1CCc2c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)csc2C1 ZINC000533648464 931944663 /nfs/dbraw/zinc/94/46/63/931944663.db2.gz OGAVEPKYVBOTGV-YHYVQYDKSA-N 2 2 417.663 4.282 20 0 HIADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533880704 932078424 /nfs/dbraw/zinc/07/84/24/932078424.db2.gz SHLHZCYOBADRJB-OTWHNJEPSA-N 2 2 407.562 4.090 20 0 HIADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533880704 932078434 /nfs/dbraw/zinc/07/84/34/932078434.db2.gz SHLHZCYOBADRJB-OTWHNJEPSA-N 2 2 407.562 4.090 20 0 HIADLP CN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534194210 932324832 /nfs/dbraw/zinc/32/48/32/932324832.db2.gz UYVNAVSGWJUHGD-VQTJNVASSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534194210 932324838 /nfs/dbraw/zinc/32/48/38/932324838.db2.gz UYVNAVSGWJUHGD-VQTJNVASSA-N 2 2 410.965 4.280 20 0 HIADLP CCOc1cc(F)ccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534195755 932326347 /nfs/dbraw/zinc/32/63/47/932326347.db2.gz QOGRWYAWKIJIGB-SFTDATJTSA-N 2 2 420.573 4.025 20 0 HIADLP CCOc1cc(F)ccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534195755 932326351 /nfs/dbraw/zinc/32/63/51/932326351.db2.gz QOGRWYAWKIJIGB-SFTDATJTSA-N 2 2 420.573 4.025 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000534309522 932380327 /nfs/dbraw/zinc/38/03/27/932380327.db2.gz QZBRCFATTCVWSB-UHFFFAOYSA-N 2 2 419.573 4.378 20 0 HIADLP CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359933 932393777 /nfs/dbraw/zinc/39/37/77/932393777.db2.gz KIHWIBXXHSCRSL-AFXVXQJMSA-N 2 2 418.025 4.239 20 0 HIADLP CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359933 932393786 /nfs/dbraw/zinc/39/37/86/932393786.db2.gz KIHWIBXXHSCRSL-AFXVXQJMSA-N 2 2 418.025 4.239 20 0 HIADLP Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc21 ZINC000534360895 932394783 /nfs/dbraw/zinc/39/47/83/932394783.db2.gz RSEYIKZQIRBMFW-XZOQPEGZSA-N 2 2 414.569 4.025 20 0 HIADLP Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc21 ZINC000534360895 932394786 /nfs/dbraw/zinc/39/47/86/932394786.db2.gz RSEYIKZQIRBMFW-XZOQPEGZSA-N 2 2 414.569 4.025 20 0 HIADLP CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534382788 932409360 /nfs/dbraw/zinc/40/93/60/932409360.db2.gz CJHDALIIHVAGPC-FNAHDJPLSA-N 2 2 424.699 4.029 20 0 HIADLP CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534382788 932409367 /nfs/dbraw/zinc/40/93/67/932409367.db2.gz CJHDALIIHVAGPC-FNAHDJPLSA-N 2 2 424.699 4.029 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000534793188 932773952 /nfs/dbraw/zinc/77/39/52/932773952.db2.gz HWVNXTLXXCXCPL-USCONSEESA-N 2 2 405.369 4.453 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000534793188 932773963 /nfs/dbraw/zinc/77/39/63/932773963.db2.gz HWVNXTLXXCXCPL-USCONSEESA-N 2 2 405.369 4.453 20 0 HIADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000534930970 932843413 /nfs/dbraw/zinc/84/34/13/932843413.db2.gz WVMYRJJHRUIZTN-UXHICEINSA-N 2 2 423.001 4.150 20 0 HIADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000534930970 932843415 /nfs/dbraw/zinc/84/34/15/932843415.db2.gz WVMYRJJHRUIZTN-UXHICEINSA-N 2 2 423.001 4.150 20 0 HIADLP CN(C(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534935185 932845181 /nfs/dbraw/zinc/84/51/81/932845181.db2.gz ZDAKNOIPCPGTHO-WOJBJXKFSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534935185 932845186 /nfs/dbraw/zinc/84/51/86/932845186.db2.gz ZDAKNOIPCPGTHO-WOJBJXKFSA-N 2 2 410.965 4.280 20 0 HIADLP CCn1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000535094232 932907348 /nfs/dbraw/zinc/90/73/48/932907348.db2.gz JGGUUOJENQHLAM-DNQXCXABSA-N 2 2 410.606 4.070 20 0 HIADLP CCn1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000535094232 932907351 /nfs/dbraw/zinc/90/73/51/932907351.db2.gz JGGUUOJENQHLAM-DNQXCXABSA-N 2 2 410.606 4.070 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)cc1F ZINC000535095019 932908537 /nfs/dbraw/zinc/90/85/37/932908537.db2.gz JNTYDKASZWALQW-RTWAWAEBSA-N 2 2 409.977 4.197 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)cc1F ZINC000535095019 932908561 /nfs/dbraw/zinc/90/85/61/932908561.db2.gz JNTYDKASZWALQW-RTWAWAEBSA-N 2 2 409.977 4.197 20 0 HIADLP CCSCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097184 932913248 /nfs/dbraw/zinc/91/32/48/932913248.db2.gz SQGHXAJJKAPXPO-XZOQPEGZSA-N 2 2 417.663 4.349 20 0 HIADLP CCSCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097184 932913254 /nfs/dbraw/zinc/91/32/54/932913254.db2.gz SQGHXAJJKAPXPO-XZOQPEGZSA-N 2 2 417.663 4.349 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000535097649 932914660 /nfs/dbraw/zinc/91/46/60/932914660.db2.gz XMYMRRZFFOMZAZ-YFXJRYMSSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000535097649 932914675 /nfs/dbraw/zinc/91/46/75/932914675.db2.gz XMYMRRZFFOMZAZ-YFXJRYMSSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000535115275 932933055 /nfs/dbraw/zinc/93/30/55/932933055.db2.gz FORKFZGQMXMUFJ-ORYQWCPZSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000535115275 932933072 /nfs/dbraw/zinc/93/30/72/932933072.db2.gz FORKFZGQMXMUFJ-ORYQWCPZSA-N 2 2 422.564 4.004 20 0 HIADLP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000535816337 933410627 /nfs/dbraw/zinc/41/06/27/933410627.db2.gz HSJQWIILQZBRRR-QHCPKHFHSA-N 2 2 409.599 4.054 20 0 HIADLP Cc1nc(-c2ccccc2)oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849676 933431483 /nfs/dbraw/zinc/43/14/83/933431483.db2.gz MBIVUGPZLIXUHD-FGZHOGPDSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1nc(-c2ccccc2)oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849676 933431487 /nfs/dbraw/zinc/43/14/87/933431487.db2.gz MBIVUGPZLIXUHD-FGZHOGPDSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1nc(CC(C)C)sc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850988 933433614 /nfs/dbraw/zinc/43/36/14/933433614.db2.gz YXAZFTLKTFBLEI-UXHICEINSA-N 2 2 420.667 4.059 20 0 HIADLP Cc1nc(CC(C)C)sc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850988 933433620 /nfs/dbraw/zinc/43/36/20/933433620.db2.gz YXAZFTLKTFBLEI-UXHICEINSA-N 2 2 420.667 4.059 20 0 HIADLP Cc1nc(CC(C)C)sc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850989 933433929 /nfs/dbraw/zinc/43/39/29/933433929.db2.gz YXAZFTLKTFBLEI-VQTJNVASSA-N 2 2 420.667 4.059 20 0 HIADLP Cc1nc(CC(C)C)sc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850989 933433932 /nfs/dbraw/zinc/43/39/32/933433932.db2.gz YXAZFTLKTFBLEI-VQTJNVASSA-N 2 2 420.667 4.059 20 0 HIADLP CN(C(=O)c1cc(F)c(F)cc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850979 933434123 /nfs/dbraw/zinc/43/41/23/933434123.db2.gz YVPBZRUUTDNYMS-PMACEKPBSA-N 2 2 413.940 4.027 20 0 HIADLP CN(C(=O)c1cc(F)c(F)cc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850979 933434126 /nfs/dbraw/zinc/43/41/26/933434126.db2.gz YVPBZRUUTDNYMS-PMACEKPBSA-N 2 2 413.940 4.027 20 0 HIADLP Cc1cccc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535867016 933449452 /nfs/dbraw/zinc/44/94/52/933449452.db2.gz MCDMSJNCCZKROG-HUVFLSCGSA-N 2 2 414.638 4.077 20 0 HIADLP Cc1cccc([C@H](C)CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535867016 933449458 /nfs/dbraw/zinc/44/94/58/933449458.db2.gz MCDMSJNCCZKROG-HUVFLSCGSA-N 2 2 414.638 4.077 20 0 HIADLP Cc1cccc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535867013 933450076 /nfs/dbraw/zinc/45/00/76/933450076.db2.gz MCDMSJNCCZKROG-AGILITTLSA-N 2 2 414.638 4.077 20 0 HIADLP Cc1cccc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535867013 933450079 /nfs/dbraw/zinc/45/00/79/933450079.db2.gz MCDMSJNCCZKROG-AGILITTLSA-N 2 2 414.638 4.077 20 0 HIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000537457122 933781362 /nfs/dbraw/zinc/78/13/62/933781362.db2.gz GGGGHPUUSCKKGW-YJBOKZPZSA-N 2 2 408.468 4.336 20 0 HIADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000562872542 945133428 /nfs/dbraw/zinc/13/34/28/945133428.db2.gz ZEKVQGUHGUFEMW-MJGOQNOKSA-N 2 2 421.614 4.483 20 0 HIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000537648922 938346367 /nfs/dbraw/zinc/34/63/67/938346367.db2.gz NHCWIPIJVPTYBF-KRWDZBQOSA-N 2 2 405.384 4.107 20 0 HIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000537648922 938346371 /nfs/dbraw/zinc/34/63/71/938346371.db2.gz NHCWIPIJVPTYBF-KRWDZBQOSA-N 2 2 405.384 4.107 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000537670233 938350456 /nfs/dbraw/zinc/35/04/56/938350456.db2.gz NSHYMYRKICGFIE-NZQKXSOJSA-N 2 2 409.578 4.273 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000537698264 938357900 /nfs/dbraw/zinc/35/79/00/938357900.db2.gz VDLINKUJAVBIHN-VGSWGCGISA-N 2 2 400.517 4.216 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000537698264 938357903 /nfs/dbraw/zinc/35/79/03/938357903.db2.gz VDLINKUJAVBIHN-VGSWGCGISA-N 2 2 400.517 4.216 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000537698264 938357907 /nfs/dbraw/zinc/35/79/07/938357907.db2.gz VDLINKUJAVBIHN-VGSWGCGISA-N 2 2 400.517 4.216 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000537698264 938357912 /nfs/dbraw/zinc/35/79/12/938357912.db2.gz VDLINKUJAVBIHN-VGSWGCGISA-N 2 2 400.517 4.216 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000537843880 938388197 /nfs/dbraw/zinc/38/81/97/938388197.db2.gz HUYPNDVURCKIOW-GOSISDBHSA-N 2 2 410.562 4.039 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000537843880 938388202 /nfs/dbraw/zinc/38/82/02/938388202.db2.gz HUYPNDVURCKIOW-GOSISDBHSA-N 2 2 410.562 4.039 20 0 HIADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000537938857 938423249 /nfs/dbraw/zinc/42/32/49/938423249.db2.gz UPLGNMGSJKTLCL-VEXUSMLFSA-N 2 2 400.530 4.491 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000537952687 938430869 /nfs/dbraw/zinc/43/08/69/938430869.db2.gz PKBKLCPBOKUAFL-UXHICEINSA-N 2 2 419.573 4.270 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538003516 938458918 /nfs/dbraw/zinc/45/89/18/938458918.db2.gz ZQEZEQLQKROWJZ-RTWAWAEBSA-N 2 2 418.944 4.498 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538003516 938458919 /nfs/dbraw/zinc/45/89/19/938458919.db2.gz ZQEZEQLQKROWJZ-RTWAWAEBSA-N 2 2 418.944 4.498 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538003511 938458933 /nfs/dbraw/zinc/45/89/33/938458933.db2.gz ZQEZEQLQKROWJZ-LEWJYISDSA-N 2 2 418.944 4.498 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538003511 938458937 /nfs/dbraw/zinc/45/89/37/938458937.db2.gz ZQEZEQLQKROWJZ-LEWJYISDSA-N 2 2 418.944 4.498 20 0 HIADLP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000538206205 938554659 /nfs/dbraw/zinc/55/46/59/938554659.db2.gz HYLVYIYDMCVKAH-JOCHJYFZSA-N 2 2 416.949 4.055 20 0 HIADLP CSCc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538353602 938601781 /nfs/dbraw/zinc/60/17/81/938601781.db2.gz DJZBHJDRBJJVLM-YADHBBJMSA-N 2 2 418.651 4.351 20 0 HIADLP CSCc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538353602 938601784 /nfs/dbraw/zinc/60/17/84/938601784.db2.gz DJZBHJDRBJJVLM-YADHBBJMSA-N 2 2 418.651 4.351 20 0 HIADLP O=C1[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538468048 938628987 /nfs/dbraw/zinc/62/89/87/938628987.db2.gz RULASWFDRQQHPS-FPOVZHCZSA-N 2 2 423.523 4.004 20 0 HIADLP O=C1[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538468048 938628990 /nfs/dbraw/zinc/62/89/90/938628990.db2.gz RULASWFDRQQHPS-FPOVZHCZSA-N 2 2 423.523 4.004 20 0 HIADLP CC(C)[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000538507772 938638143 /nfs/dbraw/zinc/63/81/43/938638143.db2.gz CWWGYFROTYNDMM-PZJWPPBQSA-N 2 2 413.528 4.011 20 0 HIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000538588102 938656460 /nfs/dbraw/zinc/65/64/60/938656460.db2.gz MDIVRJZQEVTIQG-LJQANCHMSA-N 2 2 404.562 4.030 20 0 HIADLP CCOc1c(OC)cc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000538719854 938689971 /nfs/dbraw/zinc/68/99/71/938689971.db2.gz NHOWCHNXSCLCGX-UHFFFAOYSA-N 2 2 413.562 4.236 20 0 HIADLP CCOc1c(OC)cc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000538719854 938689973 /nfs/dbraw/zinc/68/99/73/938689973.db2.gz NHOWCHNXSCLCGX-UHFFFAOYSA-N 2 2 413.562 4.236 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538795613 938714310 /nfs/dbraw/zinc/71/43/10/938714310.db2.gz LSQYBTBXCJUQKA-DVECYGJZSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538795613 938714315 /nfs/dbraw/zinc/71/43/15/938714315.db2.gz LSQYBTBXCJUQKA-DVECYGJZSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000538795613 938714318 /nfs/dbraw/zinc/71/43/18/938714318.db2.gz LSQYBTBXCJUQKA-DVECYGJZSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000538795613 938714323 /nfs/dbraw/zinc/71/43/23/938714323.db2.gz LSQYBTBXCJUQKA-DVECYGJZSA-N 2 2 407.558 4.118 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000539054896 938784749 /nfs/dbraw/zinc/78/47/49/938784749.db2.gz WARIHLJXBFIQMI-DLBZAZTESA-N 2 2 410.953 4.192 20 0 HIADLP c1ccc(CCC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c2ccccc2)cc1 ZINC000539072849 938793923 /nfs/dbraw/zinc/79/39/23/938793923.db2.gz UHMXKECWBUUWAX-MHZLTWQESA-N 2 2 421.629 4.137 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000539446589 938861935 /nfs/dbraw/zinc/86/19/35/938861935.db2.gz IKSRWHLMQHCSLS-OAHLLOKOSA-N 2 2 402.340 4.133 20 0 HIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)c(Br)c1 ZINC000539658287 938895564 /nfs/dbraw/zinc/89/55/64/938895564.db2.gz ULMUTRFJVZHTJR-XJKSGUPXSA-N 2 2 407.331 4.297 20 0 HIADLP Cc1ccc(NC(=O)C[C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)c1 ZINC000539692013 938903377 /nfs/dbraw/zinc/90/33/77/938903377.db2.gz WHFROIJOGRLVHV-LJQANCHMSA-N 2 2 409.578 4.058 20 0 HIADLP CS(=O)(=O)c1cccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2ccc(Cl)cc2)c1 ZINC000539809394 938939647 /nfs/dbraw/zinc/93/96/47/938939647.db2.gz NDIURIWHWJBHHM-OAQYLSRUSA-N 2 2 417.962 4.099 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(OC)c1OCc1ccccc1 ZINC000539819982 938943923 /nfs/dbraw/zinc/94/39/23/938943923.db2.gz VDRDAKAHCJJGDC-OAQYLSRUSA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc(OC)c1OCc1ccccc1 ZINC000539819982 938943928 /nfs/dbraw/zinc/94/39/28/938943928.db2.gz VDRDAKAHCJJGDC-OAQYLSRUSA-N 2 2 410.558 4.201 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000563613853 945226935 /nfs/dbraw/zinc/22/69/35/945226935.db2.gz XJOIXRPJNJUTSP-OFNKIYASSA-N 2 2 408.590 4.435 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000563613853 945226936 /nfs/dbraw/zinc/22/69/36/945226936.db2.gz XJOIXRPJNJUTSP-OFNKIYASSA-N 2 2 408.590 4.435 20 0 HIADLP COc1ccccc1[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000540264032 939177505 /nfs/dbraw/zinc/17/75/05/939177505.db2.gz AIAIPVKKSJQGOY-VWLOTQADSA-N 2 2 421.585 4.104 20 0 HIADLP CCCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540536145 939294112 /nfs/dbraw/zinc/29/41/12/939294112.db2.gz ALAHENHROLGMHZ-PKTZIBPZSA-N 2 2 416.610 4.276 20 0 HIADLP CCCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540536145 939294117 /nfs/dbraw/zinc/29/41/17/939294117.db2.gz ALAHENHROLGMHZ-PKTZIBPZSA-N 2 2 416.610 4.276 20 0 HIADLP CCOCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540554069 939302944 /nfs/dbraw/zinc/30/29/44/939302944.db2.gz JYNNHWVCNBYSTA-XZOQPEGZSA-N 2 2 416.610 4.024 20 0 HIADLP CCOCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540554069 939302948 /nfs/dbraw/zinc/30/29/48/939302948.db2.gz JYNNHWVCNBYSTA-XZOQPEGZSA-N 2 2 416.610 4.024 20 0 HIADLP CSC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000540991707 939426605 /nfs/dbraw/zinc/42/66/05/939426605.db2.gz KELYQTULOFWOTA-LEWJYISDSA-N 2 2 424.532 4.336 20 0 HIADLP CSC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000540991707 939426608 /nfs/dbraw/zinc/42/66/08/939426608.db2.gz KELYQTULOFWOTA-LEWJYISDSA-N 2 2 424.532 4.336 20 0 HIADLP CC[N@@H+](Cc1ccc(S(=O)(=O)C(C)C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000541055765 939443697 /nfs/dbraw/zinc/44/36/97/939443697.db2.gz BTFVBSUGXVKYTQ-UHFFFAOYSA-N 2 2 415.603 4.002 20 0 HIADLP CC[N@H+](Cc1ccc(S(=O)(=O)C(C)C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000541055765 939443711 /nfs/dbraw/zinc/44/37/11/939443711.db2.gz BTFVBSUGXVKYTQ-UHFFFAOYSA-N 2 2 415.603 4.002 20 0 HIADLP CCC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000541089955 939456274 /nfs/dbraw/zinc/45/62/74/939456274.db2.gz HXEDJXZZWXZEIL-NRFANRHFSA-N 2 2 414.421 4.221 20 0 HIADLP CC[NH+](CC)CCCC1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000541129945 939471503 /nfs/dbraw/zinc/47/15/03/939471503.db2.gz KXXRUJVBNRZGNL-UHFFFAOYSA-N 2 2 421.655 4.495 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541201660 939485384 /nfs/dbraw/zinc/48/53/84/939485384.db2.gz BCNZYOTVKOHLKZ-MRXNPFEDSA-N 2 2 424.467 4.301 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3S(C)(=O)=O)cc2)C1 ZINC000541795351 939633208 /nfs/dbraw/zinc/63/32/08/939633208.db2.gz ZFFCGECCEBFGFR-QGZVFWFLSA-N 2 2 421.006 4.265 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3S(C)(=O)=O)cc2)C1 ZINC000541795351 939633215 /nfs/dbraw/zinc/63/32/15/939633215.db2.gz ZFFCGECCEBFGFR-QGZVFWFLSA-N 2 2 421.006 4.265 20 0 HIADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000542067585 939702285 /nfs/dbraw/zinc/70/22/85/939702285.db2.gz SVXJIUPDEMSEBU-RTWAWAEBSA-N 2 2 411.993 4.093 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132378 939724133 /nfs/dbraw/zinc/72/41/33/939724133.db2.gz ZAWOZGXYNBBECW-GOSISDBHSA-N 2 2 402.970 4.248 20 0 HIADLP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCC(CCCn5cc[nH+]c5)CC4)nc(N)c32)C1 ZINC000542133467 939724205 /nfs/dbraw/zinc/72/42/05/939724205.db2.gz STXCJRNXGZFJMN-MRXNPFEDSA-N 2 2 424.618 4.287 20 0 HIADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000542132913 939724664 /nfs/dbraw/zinc/72/46/64/939724664.db2.gz JZKXXDKTBRMJTI-UHFFFAOYSA-N 2 2 424.545 4.056 20 0 HIADLP CC(C)[C@@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000542132747 939724696 /nfs/dbraw/zinc/72/46/96/939724696.db2.gz HPQZAVAHIHWZHC-HSZRJFAPSA-N 2 2 400.542 4.028 20 0 HIADLP CN(C(=O)c1ccc(-c2cccs2)o1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542180607 939746914 /nfs/dbraw/zinc/74/69/14/939746914.db2.gz CRQFDDBVOBQXLK-MOPGFXCFSA-N 2 2 415.603 4.417 20 0 HIADLP CN(C(=O)c1ccc(-c2cccs2)o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542180607 939746916 /nfs/dbraw/zinc/74/69/16/939746916.db2.gz CRQFDDBVOBQXLK-MOPGFXCFSA-N 2 2 415.603 4.417 20 0 HIADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542328127 939800886 /nfs/dbraw/zinc/80/08/86/939800886.db2.gz IMUOBZYNUNERLA-QFIPXVFZSA-N 2 2 408.590 4.084 20 0 HIADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542328126 939800945 /nfs/dbraw/zinc/80/09/45/939800945.db2.gz IMUOBZYNUNERLA-JOCHJYFZSA-N 2 2 408.590 4.084 20 0 HIADLP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000542470146 939828282 /nfs/dbraw/zinc/82/82/82/939828282.db2.gz CYPJZEPZRIPBTD-RUZDIDTESA-N 2 2 405.517 4.057 20 0 HIADLP Cc1cc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2cccnc2)ccc1F ZINC000542478715 939830270 /nfs/dbraw/zinc/83/02/70/939830270.db2.gz NJFWPWHILRAQTJ-VWLOTQADSA-N 2 2 405.517 4.241 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N(CC[NH+]3CCCC3)c3ccccc3)c2)cc[nH+]1 ZINC000542596172 939847303 /nfs/dbraw/zinc/84/73/03/939847303.db2.gz MQYXAOMPRHBXRY-UHFFFAOYSA-N 2 2 415.541 4.140 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000542664431 939852612 /nfs/dbraw/zinc/85/26/12/939852612.db2.gz KQIQDZMZIZLKOU-GMAHTHKFSA-N 2 2 409.555 4.055 20 0 HIADLP Clc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000542667662 939852743 /nfs/dbraw/zinc/85/27/43/939852743.db2.gz UUAQZFYGLRWYEX-HSZRJFAPSA-N 2 2 400.950 4.218 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000542667247 939852814 /nfs/dbraw/zinc/85/28/14/939852814.db2.gz HGKJRRJOQBKWII-ACIOBRDBSA-N 2 2 406.636 4.038 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000542667247 939852815 /nfs/dbraw/zinc/85/28/15/939852815.db2.gz HGKJRRJOQBKWII-ACIOBRDBSA-N 2 2 406.636 4.038 20 0 HIADLP C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543109537 939949958 /nfs/dbraw/zinc/94/99/58/939949958.db2.gz UCWDOFFTQIMJQL-YFXJRYMSSA-N 2 2 420.041 4.314 20 0 HIADLP C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543109537 939949964 /nfs/dbraw/zinc/94/99/64/939949964.db2.gz UCWDOFFTQIMJQL-YFXJRYMSSA-N 2 2 420.041 4.314 20 0 HIADLP Brc1ccc(N2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000543230474 940002035 /nfs/dbraw/zinc/00/20/35/940002035.db2.gz FPORPMNFTBVWGF-OAHLLOKOSA-N 2 2 403.349 4.065 20 0 HIADLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Sc2ccccc2)c1 ZINC000543282587 940017615 /nfs/dbraw/zinc/01/76/15/940017615.db2.gz OFAQJDNJPJNEBC-UHFFFAOYSA-N 2 2 423.626 4.435 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)c1ccsc1 ZINC000543537201 940097768 /nfs/dbraw/zinc/09/77/68/940097768.db2.gz IMPXYTPFCNYTCQ-OAQYLSRUSA-N 2 2 423.586 4.272 20 0 HIADLP CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1 ZINC000543537590 940098424 /nfs/dbraw/zinc/09/84/24/940098424.db2.gz PSGWPXQBVCDZTC-UHFFFAOYSA-N 2 2 403.530 4.491 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OCCOc1ccccc1Cl ZINC000543768875 940181176 /nfs/dbraw/zinc/18/11/76/940181176.db2.gz SKSPFPIESPXXAF-LJQANCHMSA-N 2 2 418.965 4.190 20 0 HIADLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OCCOc1ccccc1Cl ZINC000543768875 940181179 /nfs/dbraw/zinc/18/11/79/940181179.db2.gz SKSPFPIESPXXAF-LJQANCHMSA-N 2 2 418.965 4.190 20 0 HIADLP C[C@H](CSc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544035423 940306120 /nfs/dbraw/zinc/30/61/20/940306120.db2.gz ILXGGNQTYAGGTG-WTIAFYNJSA-N 2 2 417.663 4.210 20 0 HIADLP C[C@H](CSc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544035423 940306124 /nfs/dbraw/zinc/30/61/24/940306124.db2.gz ILXGGNQTYAGGTG-WTIAFYNJSA-N 2 2 417.663 4.210 20 0 HIADLP CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1)c1ccccc1 ZINC000544177031 940344826 /nfs/dbraw/zinc/34/48/26/940344826.db2.gz NLBCAAGRLYZARW-JOCHJYFZSA-N 2 2 408.571 4.208 20 0 HIADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544204799 940353301 /nfs/dbraw/zinc/35/33/01/940353301.db2.gz ARCUXXBXKNIBJH-RBBKRZOGSA-N 2 2 424.589 4.430 20 0 HIADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000544287538 940380336 /nfs/dbraw/zinc/38/03/36/940380336.db2.gz WKIIQAFJBMUQGV-WTIAFYNJSA-N 2 2 420.601 4.272 20 0 HIADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000544287538 940380339 /nfs/dbraw/zinc/38/03/39/940380339.db2.gz WKIIQAFJBMUQGV-WTIAFYNJSA-N 2 2 420.601 4.272 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2c(Cl)cccc2Cl)CC1 ZINC000545205265 940555817 /nfs/dbraw/zinc/55/58/17/940555817.db2.gz BHALRDLEPVZJRA-UHFFFAOYSA-N 2 2 401.378 4.278 20 0 HIADLP CC(C)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000563970013 945333362 /nfs/dbraw/zinc/33/33/62/945333362.db2.gz CTZRABKVLHSSHW-QHCPKHFHSA-N 2 2 404.501 4.163 20 0 HIADLP COc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)CC3 ZINC000546606741 940860650 /nfs/dbraw/zinc/86/06/50/940860650.db2.gz XCXSDBQZDZXSIE-KRWDZBQOSA-N 2 2 419.573 4.071 20 0 HIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C[C@@H]1c1ccccc1 ZINC000550622030 941346656 /nfs/dbraw/zinc/34/66/56/941346656.db2.gz IHVVMVGVLWQZNT-ISKFKSNPSA-N 2 2 403.526 4.135 20 0 HIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C[C@@H]1c1ccccc1 ZINC000550622030 941346661 /nfs/dbraw/zinc/34/66/61/941346661.db2.gz IHVVMVGVLWQZNT-ISKFKSNPSA-N 2 2 403.526 4.135 20 0 HIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C[C@H]1c1ccccc1 ZINC000550622034 941347081 /nfs/dbraw/zinc/34/70/81/941347081.db2.gz IHVVMVGVLWQZNT-VWNXMTODSA-N 2 2 403.526 4.135 20 0 HIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C[C@H]1c1ccccc1 ZINC000550622034 941347085 /nfs/dbraw/zinc/34/70/85/941347085.db2.gz IHVVMVGVLWQZNT-VWNXMTODSA-N 2 2 403.526 4.135 20 0 HIADLP CC[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(C(=O)OC)cc1 ZINC000551051610 941401210 /nfs/dbraw/zinc/40/12/10/941401210.db2.gz SLXYVEIFJLQZMQ-WMZHIEFXSA-N 2 2 410.558 4.414 20 0 HIADLP CC[N@H+](CCC1CC[NH+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1)CC1CC1 ZINC000551391955 941467893 /nfs/dbraw/zinc/46/78/93/941467893.db2.gz UTWJLMWLJHABHT-AREMUKBSSA-N 3 2 413.650 4.112 20 0 HIADLP CC[N@@H+](CCC1CC[NH+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1)CC1CC1 ZINC000551391955 941467897 /nfs/dbraw/zinc/46/78/97/941467897.db2.gz UTWJLMWLJHABHT-AREMUKBSSA-N 3 2 413.650 4.112 20 0 HIADLP CC[NH+](CCC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1)CC1CC1 ZINC000551391955 941467899 /nfs/dbraw/zinc/46/78/99/941467899.db2.gz UTWJLMWLJHABHT-AREMUKBSSA-N 3 2 413.650 4.112 20 0 HIADLP CC[NH+](CCC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1)CC1CC1 ZINC000551391955 941467903 /nfs/dbraw/zinc/46/79/03/941467903.db2.gz UTWJLMWLJHABHT-AREMUKBSSA-N 3 2 413.650 4.112 20 0 HIADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552046146 941573155 /nfs/dbraw/zinc/57/31/55/941573155.db2.gz ZHNJNYLIYHZFBS-SLFFLAALSA-N 2 2 406.496 4.226 20 0 HIADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552046146 941573159 /nfs/dbraw/zinc/57/31/59/941573159.db2.gz ZHNJNYLIYHZFBS-SLFFLAALSA-N 2 2 406.496 4.226 20 0 HIADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1OC1CCCC1 ZINC000552536522 941700920 /nfs/dbraw/zinc/70/09/20/941700920.db2.gz IGXSXSSAHBNHKE-AUSIDOKSSA-N 2 2 409.574 4.412 20 0 HIADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1OC1CCCC1 ZINC000552536522 941700925 /nfs/dbraw/zinc/70/09/25/941700925.db2.gz IGXSXSSAHBNHKE-AUSIDOKSSA-N 2 2 409.574 4.412 20 0 HIADLP Ic1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000556628079 942920447 /nfs/dbraw/zinc/92/04/47/942920447.db2.gz ZBFLZCHRDSPMJW-UHFFFAOYSA-N 2 2 421.326 4.204 20 0 HIADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000557042863 943003175 /nfs/dbraw/zinc/00/31/75/943003175.db2.gz ZWAAXXIEKQSCPZ-UHFFFAOYSA-N 2 2 422.960 4.227 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nc2ccccc2n1C(F)F ZINC000557376306 943092651 /nfs/dbraw/zinc/09/26/51/943092651.db2.gz KLTRHWOXWBKRHU-INIZCTEOSA-N 2 2 400.473 4.114 20 0 HIADLP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000557630524 943239291 /nfs/dbraw/zinc/23/92/91/943239291.db2.gz RQARHNZKCOYAQB-OAQYLSRUSA-N 2 2 400.611 4.218 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000558738710 943636103 /nfs/dbraw/zinc/63/61/03/943636103.db2.gz XVERQAGREYWMEF-FQEVSTJZSA-N 2 2 417.500 4.117 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000558738710 943636106 /nfs/dbraw/zinc/63/61/06/943636106.db2.gz XVERQAGREYWMEF-FQEVSTJZSA-N 2 2 417.500 4.117 20 0 HIADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000558875337 943713911 /nfs/dbraw/zinc/71/39/11/943713911.db2.gz PMDXLAVTPGUWTN-OAQYLSRUSA-N 2 2 421.585 4.028 20 0 HIADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000558875337 943713915 /nfs/dbraw/zinc/71/39/15/943713915.db2.gz PMDXLAVTPGUWTN-OAQYLSRUSA-N 2 2 421.585 4.028 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000559068389 943823580 /nfs/dbraw/zinc/82/35/80/943823580.db2.gz QSPNKDKNBYZDEX-XXBNENTESA-N 2 2 403.574 4.369 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000559068389 943823584 /nfs/dbraw/zinc/82/35/84/943823584.db2.gz QSPNKDKNBYZDEX-XXBNENTESA-N 2 2 403.574 4.369 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000559068389 943823587 /nfs/dbraw/zinc/82/35/87/943823587.db2.gz QSPNKDKNBYZDEX-XXBNENTESA-N 2 2 403.574 4.369 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000559068389 943823592 /nfs/dbraw/zinc/82/35/92/943823592.db2.gz QSPNKDKNBYZDEX-XXBNENTESA-N 2 2 403.574 4.369 20 0 HIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C[C@H]1c1ccccc1 ZINC000559738577 944041387 /nfs/dbraw/zinc/04/13/87/944041387.db2.gz BIJIISWWMNTBMK-QPPBQGQZSA-N 2 2 400.526 4.259 20 0 HIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)C[C@H]1c1ccccc1 ZINC000559738577 944041399 /nfs/dbraw/zinc/04/13/99/944041399.db2.gz BIJIISWWMNTBMK-QPPBQGQZSA-N 2 2 400.526 4.259 20 0 HIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1Cl ZINC000560582389 944263377 /nfs/dbraw/zinc/26/33/77/944263377.db2.gz BOEHAMFNISDLFS-RLAWYHOSSA-N 2 2 418.796 4.381 20 0 HIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)c(Cl)c1Cl ZINC000560582389 944263383 /nfs/dbraw/zinc/26/33/83/944263383.db2.gz BOEHAMFNISDLFS-RLAWYHOSSA-N 2 2 418.796 4.381 20 0 HIADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000561457202 944611313 /nfs/dbraw/zinc/61/13/13/944611313.db2.gz CGHDJPHLIAOWSD-FQEVSTJZSA-N 2 2 412.578 4.067 20 0 HIADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000561457202 944611318 /nfs/dbraw/zinc/61/13/18/944611318.db2.gz CGHDJPHLIAOWSD-FQEVSTJZSA-N 2 2 412.578 4.067 20 0 HIADLP Cc1cc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2cccc(Cl)c2)c(C)s1 ZINC000571724249 947764972 /nfs/dbraw/zinc/76/49/72/947764972.db2.gz BIIIUVRPBKOTEX-PMACEKPBSA-N 2 2 405.995 4.037 20 0 HIADLP Cc1cc([C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2cccc(Cl)c2)c(C)s1 ZINC000571724249 947764983 /nfs/dbraw/zinc/76/49/83/947764983.db2.gz BIIIUVRPBKOTEX-PMACEKPBSA-N 2 2 405.995 4.037 20 0 HIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(-c2ccccc2F)s1 ZINC000572506792 947919665 /nfs/dbraw/zinc/91/96/65/947919665.db2.gz NTUNDASLGNUCGA-OOKSDGMUSA-N 2 2 415.578 4.288 20 0 HIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(-c2ccccc2F)s1 ZINC000572506792 947919690 /nfs/dbraw/zinc/91/96/90/947919690.db2.gz NTUNDASLGNUCGA-OOKSDGMUSA-N 2 2 415.578 4.288 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000572767801 948005608 /nfs/dbraw/zinc/00/56/08/948005608.db2.gz UWHYQXPPHJWPGN-IAGOWNOFSA-N 2 2 401.938 4.153 20 0 HIADLP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000572860108 948022380 /nfs/dbraw/zinc/02/23/80/948022380.db2.gz IGWSWHCPRMSQPP-VJBWXMMDSA-N 2 2 400.950 4.051 20 0 HIADLP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000572860108 948022392 /nfs/dbraw/zinc/02/23/92/948022392.db2.gz IGWSWHCPRMSQPP-VJBWXMMDSA-N 2 2 400.950 4.051 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000575166603 948617405 /nfs/dbraw/zinc/61/74/05/948617405.db2.gz QKDZKZNPFPPBEC-QZNHQXDQSA-N 2 2 423.626 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000575166603 948617428 /nfs/dbraw/zinc/61/74/28/948617428.db2.gz QKDZKZNPFPPBEC-QZNHQXDQSA-N 2 2 423.626 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575166603 948617445 /nfs/dbraw/zinc/61/74/45/948617445.db2.gz QKDZKZNPFPPBEC-QZNHQXDQSA-N 2 2 423.626 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575166603 948617462 /nfs/dbraw/zinc/61/74/62/948617462.db2.gz QKDZKZNPFPPBEC-QZNHQXDQSA-N 2 2 423.626 4.038 20 0 HIADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1 ZINC001164757539 720982519 /nfs/dbraw/zinc/98/25/19/720982519.db2.gz OTXUWSLMVKOUQD-QPPBQGQZSA-N 2 2 423.605 4.278 20 0 HIADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1 ZINC001164757539 720982527 /nfs/dbraw/zinc/98/25/27/720982527.db2.gz OTXUWSLMVKOUQD-QPPBQGQZSA-N 2 2 423.605 4.278 20 0 HIADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436250684 861560533 /nfs/dbraw/zinc/56/05/33/861560533.db2.gz CZXHLUGYYJCJRQ-XLIONFOSSA-N 2 2 412.883 4.331 20 0 HIADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436250684 861560541 /nfs/dbraw/zinc/56/05/41/861560541.db2.gz CZXHLUGYYJCJRQ-XLIONFOSSA-N 2 2 412.883 4.331 20 0 HIADLP COc1cc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cs2)ccc1O ZINC000436483156 861820012 /nfs/dbraw/zinc/82/00/12/861820012.db2.gz CUUAIIJSCPYNML-QGZVFWFLSA-N 2 2 424.570 4.437 20 0 HIADLP COc1cc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cs2)ccc1O ZINC000436483156 861820013 /nfs/dbraw/zinc/82/00/13/861820013.db2.gz CUUAIIJSCPYNML-QGZVFWFLSA-N 2 2 424.570 4.437 20 0 HIADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045742091 848721603 /nfs/dbraw/zinc/72/16/03/848721603.db2.gz DEJMRTXSPVNKFP-QFIPXVFZSA-N 2 2 408.933 4.152 20 0 HIADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1OCc1ccccc1 ZINC000048782324 849267063 /nfs/dbraw/zinc/26/70/63/849267063.db2.gz YQEVDYXIJFMNGK-UHFFFAOYSA-N 2 2 414.509 4.453 20 0 HIADLP CC[NH+](CC)C1CC[NH+](C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000052049879 849544633 /nfs/dbraw/zinc/54/46/33/849544633.db2.gz NBKCAOQIMXJYKN-IZZNHLLZSA-N 2 2 410.602 4.268 20 0 HIADLP Brc1ccc(N2CC[C@@H](C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000054203815 849826842 /nfs/dbraw/zinc/82/68/42/849826842.db2.gz BLEPTFJVSHGEJK-SFHVURJKSA-N 2 2 411.347 4.251 20 0 HIADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058824739 850939082 /nfs/dbraw/zinc/93/90/82/850939082.db2.gz RIZQCATUZGFJKM-DEOSSOPVSA-N 2 2 423.626 4.444 20 0 HIADLP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000437017892 862197867 /nfs/dbraw/zinc/19/78/67/862197867.db2.gz QUDMPDLANNDOBX-JWQCQUIFSA-N 2 2 419.573 4.062 20 0 HIADLP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000437017892 862197875 /nfs/dbraw/zinc/19/78/75/862197875.db2.gz QUDMPDLANNDOBX-JWQCQUIFSA-N 2 2 419.573 4.062 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000437044347 862235913 /nfs/dbraw/zinc/23/59/13/862235913.db2.gz LOSWOVMANGBERV-DEOSSOPVSA-N 2 2 420.601 4.059 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000437044347 862235932 /nfs/dbraw/zinc/23/59/32/862235932.db2.gz LOSWOVMANGBERV-DEOSSOPVSA-N 2 2 420.601 4.059 20 0 HIADLP C[C@@H](C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1)Cn1cc[nH+]c1 ZINC000062254344 851517158 /nfs/dbraw/zinc/51/71/58/851517158.db2.gz QYHIEPWGSXVMLO-INIZCTEOSA-N 2 2 415.335 4.046 20 0 HIADLP c1ccc(-c2cccc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)c2)cc1 ZINC000065013989 852040417 /nfs/dbraw/zinc/04/04/17/852040417.db2.gz OTOODPWEZDZEBY-UHFFFAOYSA-N 2 2 402.538 4.354 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000065412309 852123851 /nfs/dbraw/zinc/12/38/51/852123851.db2.gz IKOYODMOWQTFKZ-JXALWOEJSA-N 2 2 424.589 4.029 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000065412309 852123853 /nfs/dbraw/zinc/12/38/53/852123853.db2.gz IKOYODMOWQTFKZ-JXALWOEJSA-N 2 2 424.589 4.029 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1cccc(OC)c1 ZINC000112628196 853235089 /nfs/dbraw/zinc/23/50/89/853235089.db2.gz YUUHETTYVQPVSP-HSZRJFAPSA-N 2 2 406.530 4.002 20 0 HIADLP C[NH+](C)[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000195726263 853780398 /nfs/dbraw/zinc/78/03/98/853780398.db2.gz XOHSERMULRJHMV-OAQYLSRUSA-N 2 2 419.491 4.043 20 0 HIADLP C[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000195726263 853780402 /nfs/dbraw/zinc/78/04/02/853780402.db2.gz XOHSERMULRJHMV-OAQYLSRUSA-N 2 2 419.491 4.043 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3c3cccc4ccccc43)CC2)CC1 ZINC000215999871 853841429 /nfs/dbraw/zinc/84/14/29/853841429.db2.gz AUGIKTHFLIHQHQ-RUZDIDTESA-N 2 2 420.601 4.245 20 0 HIADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000237178136 853976378 /nfs/dbraw/zinc/97/63/78/853976378.db2.gz DQYHIOIZYMFPCC-UHFFFAOYSA-N 2 2 417.601 4.373 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)cn1 ZINC000237653276 854069092 /nfs/dbraw/zinc/06/90/92/854069092.db2.gz RGJWRHGXWGARNQ-UHFFFAOYSA-N 2 2 419.529 4.163 20 0 HIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000237724628 854083784 /nfs/dbraw/zinc/08/37/84/854083784.db2.gz PFLCHJVAAMVJQB-UHFFFAOYSA-N 2 2 424.976 4.265 20 0 HIADLP COC(=O)c1sc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)nc1Cl ZINC000301967207 854506691 /nfs/dbraw/zinc/50/66/91/854506691.db2.gz WDJOJELQTNPALT-UHFFFAOYSA-N 2 2 408.955 4.105 20 0 HIADLP CC(C)=CCSc1ccccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000303837512 855235386 /nfs/dbraw/zinc/23/53/86/855235386.db2.gz IKALXLLLHZFTPM-UHFFFAOYSA-N 2 2 401.620 4.033 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000303937434 855304206 /nfs/dbraw/zinc/30/42/06/855304206.db2.gz DDHBMXMIAVYSFA-QZTJIDSGSA-N 2 2 424.416 4.163 20 0 HIADLP COc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383056099 855437031 /nfs/dbraw/zinc/43/70/31/855437031.db2.gz ODYOENSODZUAKE-SFHVURJKSA-N 2 2 403.364 4.412 20 0 HIADLP COc1ccc(Br)cc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383056099 855437036 /nfs/dbraw/zinc/43/70/36/855437036.db2.gz ODYOENSODZUAKE-SFHVURJKSA-N 2 2 403.364 4.412 20 0 HIADLP COc1ccc(Br)cc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383056099 855437039 /nfs/dbraw/zinc/43/70/39/855437039.db2.gz ODYOENSODZUAKE-SFHVURJKSA-N 2 2 403.364 4.412 20 0 HIADLP COc1ccc(Br)cc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383056099 855437041 /nfs/dbraw/zinc/43/70/41/855437041.db2.gz ODYOENSODZUAKE-SFHVURJKSA-N 2 2 403.364 4.412 20 0 HIADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Br)cs1 ZINC000390846813 855457109 /nfs/dbraw/zinc/45/71/09/855457109.db2.gz FRLRWUIAYKWQHE-QAPCUYQASA-N 2 2 409.393 4.452 20 0 HIADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Br)cs1 ZINC000390846813 855457116 /nfs/dbraw/zinc/45/71/16/855457116.db2.gz FRLRWUIAYKWQHE-QAPCUYQASA-N 2 2 409.393 4.452 20 0 HIADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000409800062 855659370 /nfs/dbraw/zinc/65/93/70/855659370.db2.gz SKQLPIAGLCJJIE-UHFFFAOYSA-N 2 2 421.520 4.362 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1)C(C)C ZINC000410281304 855899714 /nfs/dbraw/zinc/89/97/14/855899714.db2.gz HKAUSOKLDHUIIR-QFIPXVFZSA-N 2 2 408.590 4.470 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1)C(C)C ZINC000410281304 855899717 /nfs/dbraw/zinc/89/97/17/855899717.db2.gz HKAUSOKLDHUIIR-QFIPXVFZSA-N 2 2 408.590 4.470 20 0 HIADLP O[C@@]1(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000426035981 856061609 /nfs/dbraw/zinc/06/16/09/856061609.db2.gz LSEMMPKGQPGUEZ-JWQCQUIFSA-N 2 2 421.972 4.245 20 0 HIADLP O[C@@]1(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000426035981 856061621 /nfs/dbraw/zinc/06/16/21/856061621.db2.gz LSEMMPKGQPGUEZ-JWQCQUIFSA-N 2 2 421.972 4.245 20 0 HIADLP C[N@H+](CCOc1cc(Cl)ccc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427004580 856590333 /nfs/dbraw/zinc/59/03/33/856590333.db2.gz ITWBUYAXQUTABO-UHFFFAOYSA-N 2 2 408.373 4.406 20 0 HIADLP C[N@@H+](CCOc1cc(Cl)ccc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427004580 856590339 /nfs/dbraw/zinc/59/03/39/856590339.db2.gz ITWBUYAXQUTABO-UHFFFAOYSA-N 2 2 408.373 4.406 20 0 HIADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCN(c5cccc[nH+]5)CC4)[C@@H]3C2)cc1 ZINC000428243426 857123876 /nfs/dbraw/zinc/12/38/76/857123876.db2.gz BTXPUQPNLDRGHG-CAOCKLPOSA-N 3 2 404.602 4.331 20 0 HIADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCN(c5cccc[nH+]5)CC4)[C@@H]3C2)cc1 ZINC000428243426 857123879 /nfs/dbraw/zinc/12/38/79/857123879.db2.gz BTXPUQPNLDRGHG-CAOCKLPOSA-N 3 2 404.602 4.331 20 0 HIADLP CC(C)O[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000428409272 857194720 /nfs/dbraw/zinc/19/47/20/857194720.db2.gz MBNVSZISWORPGX-ILBGXUMGSA-N 2 2 422.617 4.082 20 0 HIADLP CC(C)O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000428409272 857194731 /nfs/dbraw/zinc/19/47/31/857194731.db2.gz MBNVSZISWORPGX-ILBGXUMGSA-N 2 2 422.617 4.082 20 0 HIADLP CC(C)O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000428409273 857195082 /nfs/dbraw/zinc/19/50/82/857195082.db2.gz MBNVSZISWORPGX-NOZRDPDXSA-N 2 2 422.617 4.082 20 0 HIADLP CC(C)O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000428409273 857195091 /nfs/dbraw/zinc/19/50/91/857195091.db2.gz MBNVSZISWORPGX-NOZRDPDXSA-N 2 2 422.617 4.082 20 0 HIADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CCC[C@@H]3c3ccccc3)n2)CC1 ZINC000428494302 857225313 /nfs/dbraw/zinc/22/53/13/857225313.db2.gz NYNZUOWRNSQJJL-NHCUHLMSSA-N 2 2 412.603 4.239 20 0 HIADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000428642022 857286424 /nfs/dbraw/zinc/28/64/24/857286424.db2.gz XDUNTCACVJBDOF-UHFFFAOYSA-N 2 2 421.585 4.068 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000430201705 858079979 /nfs/dbraw/zinc/07/99/79/858079979.db2.gz ZPJOTZNBVIBFBD-HXUWFJFHSA-N 2 2 423.395 4.080 20 0 HIADLP C[C@H](CCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000430883089 858353779 /nfs/dbraw/zinc/35/37/79/858353779.db2.gz BFXCWDQHGXXEGW-LJQANCHMSA-N 2 2 417.985 4.013 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000430914658 858369405 /nfs/dbraw/zinc/36/94/05/858369405.db2.gz LVIVPQPEZZIHLJ-UHFFFAOYSA-N 3 2 414.569 4.109 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(-c2cccc(F)c2)o1 ZINC000430914658 858369408 /nfs/dbraw/zinc/36/94/08/858369408.db2.gz LVIVPQPEZZIHLJ-UHFFFAOYSA-N 3 2 414.569 4.109 20 0 HIADLP Cc1ccc(-c2cnc(C[N@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)o2)cc1 ZINC000430955581 858382506 /nfs/dbraw/zinc/38/25/06/858382506.db2.gz ZJGDSURRSMOERV-UHFFFAOYSA-N 3 2 410.606 4.278 20 0 HIADLP Cc1ccc(-c2cnc(C[N@@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)o2)cc1 ZINC000430955581 858382514 /nfs/dbraw/zinc/38/25/14/858382514.db2.gz ZJGDSURRSMOERV-UHFFFAOYSA-N 3 2 410.606 4.278 20 0 HIADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000431325058 858566210 /nfs/dbraw/zinc/56/62/10/858566210.db2.gz YZWRMGBSZKDKBE-JOCHJYFZSA-N 2 2 400.950 4.484 20 0 HIADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467730350 881531146 /nfs/dbraw/zinc/53/11/46/881531146.db2.gz AZFIDJPUHIXZHF-QWHCGFSZSA-N 2 2 416.488 4.465 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N(Cc1ccco1)c1ccccc1 ZINC000434681839 860458195 /nfs/dbraw/zinc/45/81/95/860458195.db2.gz SIUDPBKLKPWUOE-UHFFFAOYSA-N 2 2 418.541 4.225 20 0 HIADLP CC(C)C[C@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434690691 860463187 /nfs/dbraw/zinc/46/31/87/860463187.db2.gz JIDJATOXRVYDSR-QHCPKHFHSA-N 2 2 408.590 4.302 20 0 HIADLP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccs1 ZINC000434692012 860464225 /nfs/dbraw/zinc/46/42/25/860464225.db2.gz VNNOFNSNERNYBB-NRFANRHFSA-N 2 2 414.619 4.364 20 0 HIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000435533510 860848108 /nfs/dbraw/zinc/84/81/08/860848108.db2.gz JETQCRQZAACARW-TWZJLLKVSA-N 2 2 408.586 4.021 20 0 HIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000435533510 860848113 /nfs/dbraw/zinc/84/81/13/860848113.db2.gz JETQCRQZAACARW-TWZJLLKVSA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000435533510 860848122 /nfs/dbraw/zinc/84/81/22/860848122.db2.gz JETQCRQZAACARW-TWZJLLKVSA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000435533510 860848126 /nfs/dbraw/zinc/84/81/26/860848126.db2.gz JETQCRQZAACARW-TWZJLLKVSA-N 2 2 408.586 4.021 20 0 HIADLP C[N@H+](Cc1ccccc1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CCCCC1 ZINC000435613905 860916867 /nfs/dbraw/zinc/91/68/67/860916867.db2.gz DBMZWBOWPUOBGE-UHFFFAOYSA-N 2 2 409.578 4.263 20 0 HIADLP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CCCCC1 ZINC000435613905 860916886 /nfs/dbraw/zinc/91/68/86/860916886.db2.gz DBMZWBOWPUOBGE-UHFFFAOYSA-N 2 2 409.578 4.263 20 0 HIADLP C[N@H+](Cc1ccccc1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CCCCC1 ZINC000435613905 860916894 /nfs/dbraw/zinc/91/68/94/860916894.db2.gz DBMZWBOWPUOBGE-UHFFFAOYSA-N 2 2 409.578 4.263 20 0 HIADLP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CCCCC1 ZINC000435613905 860916908 /nfs/dbraw/zinc/91/69/08/860916908.db2.gz DBMZWBOWPUOBGE-UHFFFAOYSA-N 2 2 409.578 4.263 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000467846611 881691524 /nfs/dbraw/zinc/69/15/24/881691524.db2.gz PCRNCFPWNUMRAT-KRWDZBQOSA-N 2 2 408.464 4.267 20 0 HIADLP CC(C)C[C@@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468003734 881845336 /nfs/dbraw/zinc/84/53/36/881845336.db2.gz ITIVTVNAQOTDHD-OFNKIYASSA-N 2 2 423.605 4.115 20 0 HIADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3csc(CCc4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000440330830 865608058 /nfs/dbraw/zinc/60/80/58/865608058.db2.gz XXXAUIJJBBQYLF-BGYRXZFFSA-N 2 2 413.631 4.250 20 0 HIADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3csc(CCc4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000440330830 865608079 /nfs/dbraw/zinc/60/80/79/865608079.db2.gz XXXAUIJJBBQYLF-BGYRXZFFSA-N 2 2 413.631 4.250 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)c(C)c1 ZINC000441381785 866452365 /nfs/dbraw/zinc/45/23/65/866452365.db2.gz JPAMGQYHPYEGSA-LEWJYISDSA-N 2 2 408.933 4.290 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCc2ccc(Cl)cc2)c(C)c1 ZINC000441382034 866454274 /nfs/dbraw/zinc/45/42/74/866454274.db2.gz JQJVKFWMFZCUGX-AVRDEDQJSA-N 2 2 410.949 4.189 20 0 HIADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441387663 866459709 /nfs/dbraw/zinc/45/97/09/866459709.db2.gz QORJAKOPZWSDBM-MIZPHKNDSA-N 2 2 420.557 4.105 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000441394252 866465872 /nfs/dbraw/zinc/46/58/72/866465872.db2.gz KCONQVOOPDISHZ-AYRHNUGRSA-N 2 2 417.597 4.035 20 0 HIADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000441394252 866465879 /nfs/dbraw/zinc/46/58/79/866465879.db2.gz KCONQVOOPDISHZ-AYRHNUGRSA-N 2 2 417.597 4.035 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000441394252 866465885 /nfs/dbraw/zinc/46/58/85/866465885.db2.gz KCONQVOOPDISHZ-AYRHNUGRSA-N 2 2 417.597 4.035 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000441394252 866465894 /nfs/dbraw/zinc/46/58/94/866465894.db2.gz KCONQVOOPDISHZ-AYRHNUGRSA-N 2 2 417.597 4.035 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441398669 866472961 /nfs/dbraw/zinc/47/29/61/866472961.db2.gz WFGWUTBDIDJEFB-WZONZLPQSA-N 2 2 407.558 4.169 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441398669 866472987 /nfs/dbraw/zinc/47/29/87/866472987.db2.gz WFGWUTBDIDJEFB-WZONZLPQSA-N 2 2 407.558 4.169 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441398669 866472999 /nfs/dbraw/zinc/47/29/99/866472999.db2.gz WFGWUTBDIDJEFB-WZONZLPQSA-N 2 2 407.558 4.169 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441398669 866473016 /nfs/dbraw/zinc/47/30/16/866473016.db2.gz WFGWUTBDIDJEFB-WZONZLPQSA-N 2 2 407.558 4.169 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406725 866481960 /nfs/dbraw/zinc/48/19/60/866481960.db2.gz NBFLPFNQVXPBJW-OFHUJUHISA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406725 866481963 /nfs/dbraw/zinc/48/19/63/866481963.db2.gz NBFLPFNQVXPBJW-OFHUJUHISA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406725 866481968 /nfs/dbraw/zinc/48/19/68/866481968.db2.gz NBFLPFNQVXPBJW-OFHUJUHISA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406725 866481975 /nfs/dbraw/zinc/48/19/75/866481975.db2.gz NBFLPFNQVXPBJW-OFHUJUHISA-N 2 2 405.586 4.354 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N(CCc1ccccc1)Cc1ccccc1 ZINC000441439767 866517043 /nfs/dbraw/zinc/51/70/43/866517043.db2.gz WMUXQZASTSXDPU-SANMLTNESA-N 2 2 419.613 4.066 20 0 HIADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N(CCc1ccccc1)Cc1ccccc1 ZINC000441439767 866517058 /nfs/dbraw/zinc/51/70/58/866517058.db2.gz WMUXQZASTSXDPU-SANMLTNESA-N 2 2 419.613 4.066 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(CCc3ccccc3)no2)CC1 ZINC000441512812 866591303 /nfs/dbraw/zinc/59/13/03/866591303.db2.gz NGSYAZOOADITKW-UHFFFAOYSA-N 2 2 404.558 4.199 20 0 HIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(CCc3ccccc3)no2)CC1 ZINC000441512812 866591310 /nfs/dbraw/zinc/59/13/10/866591310.db2.gz NGSYAZOOADITKW-UHFFFAOYSA-N 2 2 404.558 4.199 20 0 HIADLP CC[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616139 866714237 /nfs/dbraw/zinc/71/42/37/866714237.db2.gz AXVWUCVUKRZXNT-DEOSSOPVSA-N 2 2 420.601 4.204 20 0 HIADLP CC[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616139 866714256 /nfs/dbraw/zinc/71/42/56/866714256.db2.gz AXVWUCVUKRZXNT-DEOSSOPVSA-N 2 2 420.601 4.204 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000441935288 866998807 /nfs/dbraw/zinc/99/88/07/866998807.db2.gz RXKIAEVMIMXEAD-KXBFYZLASA-N 2 2 403.368 4.211 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000441935288 866998824 /nfs/dbraw/zinc/99/88/24/866998824.db2.gz RXKIAEVMIMXEAD-KXBFYZLASA-N 2 2 403.368 4.211 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000441935288 866998842 /nfs/dbraw/zinc/99/88/42/866998842.db2.gz RXKIAEVMIMXEAD-KXBFYZLASA-N 2 2 403.368 4.211 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C ZINC000441935288 866998858 /nfs/dbraw/zinc/99/88/58/866998858.db2.gz RXKIAEVMIMXEAD-KXBFYZLASA-N 2 2 403.368 4.211 20 0 HIADLP CC[N@H+](C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)c1ccccc1 ZINC000468203045 882082904 /nfs/dbraw/zinc/08/29/04/882082904.db2.gz WTDPXGXYPGAOAV-IBGZPJMESA-N 2 2 404.352 4.142 20 0 HIADLP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)c1ccccc1 ZINC000468203045 882082934 /nfs/dbraw/zinc/08/29/34/882082934.db2.gz WTDPXGXYPGAOAV-IBGZPJMESA-N 2 2 404.352 4.142 20 0 HIADLP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)c1ccccc1 ZINC000468203047 882083375 /nfs/dbraw/zinc/08/33/75/882083375.db2.gz WTDPXGXYPGAOAV-LJQANCHMSA-N 2 2 404.352 4.142 20 0 HIADLP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)c1ccccc1 ZINC000468203047 882083406 /nfs/dbraw/zinc/08/34/06/882083406.db2.gz WTDPXGXYPGAOAV-LJQANCHMSA-N 2 2 404.352 4.142 20 0 HIADLP Cc1c2cc(Cl)ccc2sc1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000442718566 867646929 /nfs/dbraw/zinc/64/69/29/867646929.db2.gz HLIFPHNAMNQTOT-UHFFFAOYSA-N 2 2 423.026 4.031 20 0 HIADLP Cc1c2cc(Cl)ccc2sc1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000442718566 867646945 /nfs/dbraw/zinc/64/69/45/867646945.db2.gz HLIFPHNAMNQTOT-UHFFFAOYSA-N 2 2 423.026 4.031 20 0 HIADLP COc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(OCc2cccnc2)c1 ZINC000443960315 868493710 /nfs/dbraw/zinc/49/37/10/868493710.db2.gz GGIPGYHIJFJRJF-UHFFFAOYSA-N 2 2 414.509 4.204 20 0 HIADLP COc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(OCc2cccnc2)c1 ZINC000443989011 868512547 /nfs/dbraw/zinc/51/25/47/868512547.db2.gz QFEHEYFZIISUSX-UHFFFAOYSA-N 2 2 414.509 4.204 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000444599156 868897218 /nfs/dbraw/zinc/89/72/18/868897218.db2.gz WFVUFQJIDVIHHF-IAGOWNOFSA-N 2 2 423.586 4.049 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000444599156 868897220 /nfs/dbraw/zinc/89/72/20/868897220.db2.gz WFVUFQJIDVIHHF-IAGOWNOFSA-N 2 2 423.586 4.049 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444793307 869011510 /nfs/dbraw/zinc/01/15/10/869011510.db2.gz OWRKBPHSVLDTJZ-CTNGQTDRSA-N 2 2 418.541 4.206 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444793307 869011523 /nfs/dbraw/zinc/01/15/23/869011523.db2.gz OWRKBPHSVLDTJZ-CTNGQTDRSA-N 2 2 418.541 4.206 20 0 HIADLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(OCc2cccnc2)c1 ZINC000447071517 870953809 /nfs/dbraw/zinc/95/38/09/870953809.db2.gz ZNMUJBNMFIUYBK-UHFFFAOYSA-N 2 2 419.525 4.416 20 0 HIADLP C[NH+]1CCC(CNC(=O)CCCc2ccc(C(C)(C)C)cc2)([NH+]2CCCCC2)CC1 ZINC000460481595 873168155 /nfs/dbraw/zinc/16/81/55/873168155.db2.gz UQMXMABNVXOFMR-UHFFFAOYSA-N 2 2 413.650 4.373 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000460485489 873171149 /nfs/dbraw/zinc/17/11/49/873171149.db2.gz BCLIJCIDVZJPOL-DNQXCXABSA-N 2 2 405.586 4.010 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)([NH+]2CCCCC2)CC1 ZINC000461298650 874304184 /nfs/dbraw/zinc/30/41/84/874304184.db2.gz UVDUZILMPIMUHS-UHFFFAOYSA-N 2 2 423.388 4.155 20 0 HIADLP C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)CC1 ZINC000462027747 875142495 /nfs/dbraw/zinc/14/24/95/875142495.db2.gz UMONPLZHKIIBRR-UHFFFAOYSA-N 2 2 418.006 4.055 20 0 HIADLP Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)cc2)c1C ZINC000462763508 875825636 /nfs/dbraw/zinc/82/56/36/875825636.db2.gz DLHDQDYXTRPFND-ROUUACIJSA-N 2 2 418.541 4.351 20 0 HIADLP Cc1cc(Cl)c2ccccc2c1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000462874316 875904372 /nfs/dbraw/zinc/90/43/72/875904372.db2.gz JGMIPAKGDIKZJU-UHFFFAOYSA-N 2 2 402.970 4.291 20 0 HIADLP Cc1cc(Cl)c2ccccc2c1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000462874316 875904380 /nfs/dbraw/zinc/90/43/80/875904380.db2.gz JGMIPAKGDIKZJU-UHFFFAOYSA-N 2 2 402.970 4.291 20 0 HIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H](c3ccc(F)cc3)[C@H]3CCCO3)CC2)cc1 ZINC000463113432 876153404 /nfs/dbraw/zinc/15/34/04/876153404.db2.gz YNFQIVYKDBVOLN-DNQXCXABSA-N 2 2 400.513 4.482 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccc(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463188804 876247762 /nfs/dbraw/zinc/24/77/62/876247762.db2.gz IDBAQVTZLRSKPQ-CZAAIQMYSA-N 2 2 403.364 4.125 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cccc(Br)c2)CC[N@H+]1Cc1ccccc1 ZINC000463188804 876247776 /nfs/dbraw/zinc/24/77/76/876247776.db2.gz IDBAQVTZLRSKPQ-CZAAIQMYSA-N 2 2 403.364 4.125 20 0 HIADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccc(Br)cc1 ZINC000463207649 876268271 /nfs/dbraw/zinc/26/82/71/876268271.db2.gz SYZULDNRBKWIQI-CYBMUJFWSA-N 2 2 409.290 4.223 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000463695150 876814167 /nfs/dbraw/zinc/81/41/67/876814167.db2.gz HJMDGSZYJXVBKA-UHFFFAOYSA-N 2 2 407.562 4.369 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000463695150 876814172 /nfs/dbraw/zinc/81/41/72/876814172.db2.gz HJMDGSZYJXVBKA-UHFFFAOYSA-N 2 2 407.562 4.369 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000463710410 876829177 /nfs/dbraw/zinc/82/91/77/876829177.db2.gz ZALIXHXAAUISMJ-WMZHIEFXSA-N 2 2 419.573 4.367 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000463710410 876829182 /nfs/dbraw/zinc/82/91/82/876829182.db2.gz ZALIXHXAAUISMJ-WMZHIEFXSA-N 2 2 419.573 4.367 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000463714769 876834371 /nfs/dbraw/zinc/83/43/71/876834371.db2.gz LWCMFIOSMCNLAO-NRFANRHFSA-N 2 2 407.562 4.272 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000463714769 876834372 /nfs/dbraw/zinc/83/43/72/876834372.db2.gz LWCMFIOSMCNLAO-NRFANRHFSA-N 2 2 407.562 4.272 20 0 HIADLP Cc1cc(N2CC[NH+]([C@@H](C)c3nccs3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000463736722 876857019 /nfs/dbraw/zinc/85/70/19/876857019.db2.gz JVWONAYYVBCSEP-AWEZNQCLSA-N 2 2 404.486 4.484 20 0 HIADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837473 878100545 /nfs/dbraw/zinc/10/05/45/878100545.db2.gz LTRGMYGTXXKWRE-UNMCSNQZSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837473 878100558 /nfs/dbraw/zinc/10/05/58/878100558.db2.gz LTRGMYGTXXKWRE-UNMCSNQZSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464837473 878100570 /nfs/dbraw/zinc/10/05/70/878100570.db2.gz LTRGMYGTXXKWRE-UNMCSNQZSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464837473 878100585 /nfs/dbraw/zinc/10/05/85/878100585.db2.gz LTRGMYGTXXKWRE-UNMCSNQZSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464839351 878106225 /nfs/dbraw/zinc/10/62/25/878106225.db2.gz XVCRENLOTNXCLY-VWPQPMDRSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464839351 878106243 /nfs/dbraw/zinc/10/62/43/878106243.db2.gz XVCRENLOTNXCLY-VWPQPMDRSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464839351 878106265 /nfs/dbraw/zinc/10/62/65/878106265.db2.gz XVCRENLOTNXCLY-VWPQPMDRSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464839351 878106293 /nfs/dbraw/zinc/10/62/93/878106293.db2.gz XVCRENLOTNXCLY-VWPQPMDRSA-N 2 2 419.569 4.452 20 0 HIADLP C[NH+]1CCC(CNC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)([NH+]2CCCCC2)CC1 ZINC000465469319 878904255 /nfs/dbraw/zinc/90/42/55/878904255.db2.gz DPZVXLXKLCGWGI-NRFANRHFSA-N 2 2 419.013 4.041 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503427559 912423168 /nfs/dbraw/zinc/42/31/68/912423168.db2.gz DFWPAJVVIIDBLP-JENIJYKNSA-N 2 2 414.981 4.318 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503427559 912423206 /nfs/dbraw/zinc/42/32/06/912423206.db2.gz DFWPAJVVIIDBLP-JENIJYKNSA-N 2 2 414.981 4.318 20 0 HIADLP Clc1cc(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc2c1OCCCO2 ZINC000503436750 912444827 /nfs/dbraw/zinc/44/48/27/912444827.db2.gz OSKDOZIKXSTGSP-SFHVURJKSA-N 2 2 415.965 4.456 20 0 HIADLP Clc1cc(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc2c1OCCCO2 ZINC000503436750 912444838 /nfs/dbraw/zinc/44/48/38/912444838.db2.gz OSKDOZIKXSTGSP-SFHVURJKSA-N 2 2 415.965 4.456 20 0 HIADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466138774 879848990 /nfs/dbraw/zinc/84/89/90/879848990.db2.gz ABIIKTQCYNXLIW-LJQANCHMSA-N 2 2 412.578 4.086 20 0 HIADLP FC(F)(F)C1CCC(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CC1 ZINC000466379335 880140295 /nfs/dbraw/zinc/14/02/95/880140295.db2.gz XUIQABLOMBCIMX-UHFFFAOYSA-N 2 2 410.484 4.218 20 0 HIADLP CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)ccc21 ZINC000467150686 880888613 /nfs/dbraw/zinc/88/86/13/880888613.db2.gz UADDNLGRONNDLQ-UHFFFAOYSA-N 2 2 401.514 4.356 20 0 HIADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467156492 880890326 /nfs/dbraw/zinc/89/03/26/880890326.db2.gz ADNONMAABNJNFQ-MRXNPFEDSA-N 2 2 410.518 4.048 20 0 HIADLP CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000469775271 883950945 /nfs/dbraw/zinc/95/09/45/883950945.db2.gz KALQNWQIOWRFTH-JVSAHFFESA-N 2 2 411.594 4.241 20 0 HIADLP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2cccs2)CC1 ZINC000469863828 884053889 /nfs/dbraw/zinc/05/38/89/884053889.db2.gz SYJYWSBUGMXJME-ZCNNSNEGSA-N 2 2 415.607 4.010 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471174638 885734122 /nfs/dbraw/zinc/73/41/22/885734122.db2.gz ADCWYTPORSIFPU-MJGOQNOKSA-N 2 2 421.570 4.304 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471174638 885734134 /nfs/dbraw/zinc/73/41/34/885734134.db2.gz ADCWYTPORSIFPU-MJGOQNOKSA-N 2 2 421.570 4.304 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471175333 885736366 /nfs/dbraw/zinc/73/63/66/885736366.db2.gz CPCWNBUBNHVIKF-UGKGYDQZSA-N 2 2 404.514 4.286 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471175333 885736373 /nfs/dbraw/zinc/73/63/73/885736373.db2.gz CPCWNBUBNHVIKF-UGKGYDQZSA-N 2 2 404.514 4.286 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000471220947 885795268 /nfs/dbraw/zinc/79/52/68/885795268.db2.gz QIMJLGJTMMAYJG-RVSNTGDXSA-N 2 2 413.993 4.208 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000471220947 885795280 /nfs/dbraw/zinc/79/52/80/885795280.db2.gz QIMJLGJTMMAYJG-RVSNTGDXSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000471220947 885795288 /nfs/dbraw/zinc/79/52/88/885795288.db2.gz QIMJLGJTMMAYJG-RVSNTGDXSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000471220947 885795298 /nfs/dbraw/zinc/79/52/98/885795298.db2.gz QIMJLGJTMMAYJG-RVSNTGDXSA-N 2 2 413.993 4.208 20 0 HIADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473873968 888736667 /nfs/dbraw/zinc/73/66/67/888736667.db2.gz HTQFHCUPTVFMJS-OFNKIYASSA-N 2 2 421.589 4.049 20 0 HIADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473873968 888736678 /nfs/dbraw/zinc/73/66/78/888736678.db2.gz HTQFHCUPTVFMJS-OFNKIYASSA-N 2 2 421.589 4.049 20 0 HIADLP CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474063368 888896423 /nfs/dbraw/zinc/89/64/23/888896423.db2.gz ZPECSBVWQKAJSK-GBXCKJPGSA-N 2 2 417.557 4.239 20 0 HIADLP CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474063368 888896428 /nfs/dbraw/zinc/89/64/28/888896428.db2.gz ZPECSBVWQKAJSK-GBXCKJPGSA-N 2 2 417.557 4.239 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2Br)C[C@@H](C)O1 ZINC000474617807 889482148 /nfs/dbraw/zinc/48/21/48/889482148.db2.gz VYMYIOJSGUBXOA-HZPDHXFCSA-N 2 2 421.354 4.487 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[NH+]3CCC(C)CC3)cc1)C2 ZINC000474688528 889551503 /nfs/dbraw/zinc/55/15/03/889551503.db2.gz LCFJONSYHBCNHN-OAQYLSRUSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[NH+]3CCC(C)CC3)cc1)CC2 ZINC000474688528 889551522 /nfs/dbraw/zinc/55/15/22/889551522.db2.gz LCFJONSYHBCNHN-OAQYLSRUSA-N 2 2 408.590 4.186 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3c(F)cccc3Br)[nH+]c2)CC1 ZINC000474798388 889651989 /nfs/dbraw/zinc/65/19/89/889651989.db2.gz CYMMZGUJRVGWHY-UHFFFAOYSA-N 2 2 407.331 4.126 20 0 HIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CO)c3ccccc3OC(F)(F)F)CC2)C1 ZINC000475568423 890499716 /nfs/dbraw/zinc/49/97/16/890499716.db2.gz FWTBQLFUNOQURP-SZVBFZGTSA-N 2 2 400.485 4.251 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)C2 ZINC000476543224 891457127 /nfs/dbraw/zinc/45/71/27/891457127.db2.gz IUOSMDQJXCOXOL-NRFANRHFSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)C2 ZINC000476543224 891457142 /nfs/dbraw/zinc/45/71/42/891457142.db2.gz IUOSMDQJXCOXOL-NRFANRHFSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)CC2 ZINC000476543224 891457153 /nfs/dbraw/zinc/45/71/53/891457153.db2.gz IUOSMDQJXCOXOL-NRFANRHFSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)CC2 ZINC000476543224 891457164 /nfs/dbraw/zinc/45/71/64/891457164.db2.gz IUOSMDQJXCOXOL-NRFANRHFSA-N 2 2 420.601 4.153 20 0 HIADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000476573649 891494726 /nfs/dbraw/zinc/49/47/26/891494726.db2.gz MLAFMEGLFULRTK-LJQANCHMSA-N 2 2 423.523 4.004 20 0 HIADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000476573649 891494754 /nfs/dbraw/zinc/49/47/54/891494754.db2.gz MLAFMEGLFULRTK-LJQANCHMSA-N 2 2 423.523 4.004 20 0 HIADLP O=C(C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000476989909 891916238 /nfs/dbraw/zinc/91/62/38/891916238.db2.gz YPHBGTHGWDFLIA-UHFFFAOYSA-N 2 2 422.400 4.216 20 0 HIADLP C[NH+](C)C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc(F)cc1 ZINC000479030876 894294466 /nfs/dbraw/zinc/29/44/66/894294466.db2.gz YULUDHFQJPYKBV-JOCHJYFZSA-N 2 2 419.504 4.165 20 0 HIADLP COc1c(Br)cccc1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000479561716 894858503 /nfs/dbraw/zinc/85/85/03/894858503.db2.gz YVDYSIGTOOPXQD-UHFFFAOYSA-N 2 2 400.320 4.035 20 0 HIADLP CC[NH+]1CCC([NH2+][C@H](C)c2sc(Cc3ccc(OC)c(OC)c3)nc2C)CC1 ZINC000480017670 895368579 /nfs/dbraw/zinc/36/85/79/895368579.db2.gz PAMIEOZBORIAIM-OAHLLOKOSA-N 2 2 403.592 4.194 20 0 HIADLP C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480202388 895602367 /nfs/dbraw/zinc/60/23/67/895602367.db2.gz XTQSUULAHPNYQP-HTAPYJJXSA-N 2 2 412.965 4.454 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(Cl)c1Cl ZINC000480616914 895984472 /nfs/dbraw/zinc/98/44/72/895984472.db2.gz NCVHNAVLLGMBKO-OAHLLOKOSA-N 2 2 406.357 4.232 20 0 HIADLP Cn1cc([C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2ccc(F)cc2)cn1 ZINC000480657480 896025822 /nfs/dbraw/zinc/02/58/22/896025822.db2.gz HTGDKHWDFDEIHS-BPUWIUIQSA-N 2 2 404.533 4.149 20 0 HIADLP Cn1cc([C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2ccc(F)cc2)cn1 ZINC000480657480 896025835 /nfs/dbraw/zinc/02/58/35/896025835.db2.gz HTGDKHWDFDEIHS-BPUWIUIQSA-N 2 2 404.533 4.149 20 0 HIADLP Cn1cc([C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c2ccc(F)cc2)cn1 ZINC000480657482 896026207 /nfs/dbraw/zinc/02/62/07/896026207.db2.gz HTGDKHWDFDEIHS-KMRPREKFSA-N 2 2 404.533 4.149 20 0 HIADLP Cn1cc([C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c2ccc(F)cc2)cn1 ZINC000480657482 896026228 /nfs/dbraw/zinc/02/62/28/896026228.db2.gz HTGDKHWDFDEIHS-KMRPREKFSA-N 2 2 404.533 4.149 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000480781189 896147008 /nfs/dbraw/zinc/14/70/08/896147008.db2.gz UHTLMFOEMYLYAU-JPYJTQIMSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000480781189 896147018 /nfs/dbraw/zinc/14/70/18/896147018.db2.gz UHTLMFOEMYLYAU-JPYJTQIMSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1I ZINC000480787237 896152788 /nfs/dbraw/zinc/15/27/88/896152788.db2.gz QWCIQXXJDYIBKX-HNNXBMFYSA-N 2 2 417.294 4.387 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480787993 896154063 /nfs/dbraw/zinc/15/40/63/896154063.db2.gz QLWFDOOIZHHBFR-IBGZPJMESA-N 2 2 423.582 4.499 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1Br ZINC000480900074 896255587 /nfs/dbraw/zinc/25/55/87/896255587.db2.gz QIGFWUBKWNVPJW-QGZVFWFLSA-N 2 2 402.380 4.047 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1Br ZINC000480900074 896255608 /nfs/dbraw/zinc/25/56/08/896255608.db2.gz QIGFWUBKWNVPJW-QGZVFWFLSA-N 2 2 402.380 4.047 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000481163633 896495598 /nfs/dbraw/zinc/49/55/98/896495598.db2.gz AQHWBUNOJUFLIY-VQIMIIECSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000481163633 896495609 /nfs/dbraw/zinc/49/56/09/896495609.db2.gz AQHWBUNOJUFLIY-VQIMIIECSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000481163632 896496008 /nfs/dbraw/zinc/49/60/08/896496008.db2.gz AQHWBUNOJUFLIY-QFBILLFUSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000481163632 896496020 /nfs/dbraw/zinc/49/60/20/896496020.db2.gz AQHWBUNOJUFLIY-QFBILLFUSA-N 2 2 405.464 4.144 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481177477 896514455 /nfs/dbraw/zinc/51/44/55/896514455.db2.gz ZXIOKAQFQGUCKB-ABSDTBQOSA-N 2 2 415.965 4.176 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481177477 896514477 /nfs/dbraw/zinc/51/44/77/896514477.db2.gz ZXIOKAQFQGUCKB-ABSDTBQOSA-N 2 2 415.965 4.176 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000481185299 896531133 /nfs/dbraw/zinc/53/11/33/896531133.db2.gz UKCUXGLTGRJTJX-LLGFUMIMSA-N 2 2 417.500 4.115 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000481185299 896531140 /nfs/dbraw/zinc/53/11/40/896531140.db2.gz UKCUXGLTGRJTJX-LLGFUMIMSA-N 2 2 417.500 4.115 20 0 HIADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481190127 896539037 /nfs/dbraw/zinc/53/90/37/896539037.db2.gz KFVFWTMJONOTDE-QGZVFWFLSA-N 2 2 403.592 4.137 20 0 HIADLP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)ccn2)cc1 ZINC000481298110 896641965 /nfs/dbraw/zinc/64/19/65/896641965.db2.gz GMGBVCQUSUVRAS-NTKDMRAZSA-N 2 2 418.541 4.278 20 0 HIADLP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)ccn2)cc1 ZINC000481298110 896641976 /nfs/dbraw/zinc/64/19/76/896641976.db2.gz GMGBVCQUSUVRAS-NTKDMRAZSA-N 2 2 418.541 4.278 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000481417110 896820800 /nfs/dbraw/zinc/82/08/00/896820800.db2.gz QMZHSKHYTKLBHQ-YWZLYKJASA-N 2 2 406.343 4.026 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000481417110 896820804 /nfs/dbraw/zinc/82/08/04/896820804.db2.gz QMZHSKHYTKLBHQ-YWZLYKJASA-N 2 2 406.343 4.026 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000481423501 896825298 /nfs/dbraw/zinc/82/52/98/896825298.db2.gz VKNOQHTXGGTVTD-QGZVFWFLSA-N 2 2 424.463 4.147 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000481559259 896932655 /nfs/dbraw/zinc/93/26/55/896932655.db2.gz FDSYZXQNTWHPRE-FDDCHVKYSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000481559259 896932666 /nfs/dbraw/zinc/93/26/66/896932666.db2.gz FDSYZXQNTWHPRE-FDDCHVKYSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481963590 897353262 /nfs/dbraw/zinc/35/32/62/897353262.db2.gz YNGVBAAWKAOSPZ-MBSDFSHPSA-N 2 2 410.949 4.250 20 0 HIADLP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000482097867 897543855 /nfs/dbraw/zinc/54/38/55/897543855.db2.gz KCTNPPXZKBRQPR-MZKRTTBSSA-N 2 2 413.009 4.370 20 0 HIADLP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000482097867 897543867 /nfs/dbraw/zinc/54/38/67/897543867.db2.gz KCTNPPXZKBRQPR-MZKRTTBSSA-N 2 2 413.009 4.370 20 0 HIADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000482198094 897673023 /nfs/dbraw/zinc/67/30/23/897673023.db2.gz KNXQQFYMKJEPMM-UHFFFAOYSA-N 2 2 405.429 4.348 20 0 HIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000483121687 898809105 /nfs/dbraw/zinc/80/91/05/898809105.db2.gz QGAXDQITYJHSTM-NFBKMPQASA-N 2 2 404.558 4.314 20 0 HIADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000483121687 898809106 /nfs/dbraw/zinc/80/91/06/898809106.db2.gz QGAXDQITYJHSTM-NFBKMPQASA-N 2 2 404.558 4.314 20 0 HIADLP C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505580461 914286625 /nfs/dbraw/zinc/28/66/25/914286625.db2.gz GQTGZYXWGQUTPO-ZEYPLWLESA-N 2 2 408.590 4.301 20 0 HIADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-c2ccccc2Cl)s1 ZINC000483143471 898822927 /nfs/dbraw/zinc/82/29/27/898822927.db2.gz LDDFJCKMIXXCAH-SFHVURJKSA-N 2 2 422.038 4.109 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000483233240 898876987 /nfs/dbraw/zinc/87/69/87/898876987.db2.gz IRPKOFUYMOAOAG-KBPBESRZSA-N 2 2 420.447 4.041 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488592 899139820 /nfs/dbraw/zinc/13/98/20/899139820.db2.gz DCUBYQSFPZSPIV-UNWVZKJWSA-N 2 2 423.626 4.008 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488592 899139825 /nfs/dbraw/zinc/13/98/25/899139825.db2.gz DCUBYQSFPZSPIV-UNWVZKJWSA-N 2 2 423.626 4.008 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483488592 899139840 /nfs/dbraw/zinc/13/98/40/899139840.db2.gz DCUBYQSFPZSPIV-UNWVZKJWSA-N 2 2 423.626 4.008 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483488592 899139861 /nfs/dbraw/zinc/13/98/61/899139861.db2.gz DCUBYQSFPZSPIV-UNWVZKJWSA-N 2 2 423.626 4.008 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483572953 899227098 /nfs/dbraw/zinc/22/70/98/899227098.db2.gz LBHDYZRERHFPEW-JWQCQUIFSA-N 2 2 414.553 4.058 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483572953 899227105 /nfs/dbraw/zinc/22/71/05/899227105.db2.gz LBHDYZRERHFPEW-JWQCQUIFSA-N 2 2 414.553 4.058 20 0 HIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000483812322 899490215 /nfs/dbraw/zinc/49/02/15/899490215.db2.gz ZCRYEQDQVVLEBM-FVJLSDCUSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000483812322 899490223 /nfs/dbraw/zinc/49/02/23/899490223.db2.gz ZCRYEQDQVVLEBM-FVJLSDCUSA-N 2 2 418.379 4.112 20 0 HIADLP COc1cc(NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)cc(OC)c1 ZINC000484081758 899716200 /nfs/dbraw/zinc/71/62/00/899716200.db2.gz JQWXXPXWZSGBBQ-UHFFFAOYSA-N 2 2 406.530 4.274 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000484140963 899760754 /nfs/dbraw/zinc/76/07/54/899760754.db2.gz GTUUGRSGYSSBRA-BULFRSBZSA-N 2 2 422.598 4.047 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000484140963 899760763 /nfs/dbraw/zinc/76/07/63/899760763.db2.gz GTUUGRSGYSSBRA-BULFRSBZSA-N 2 2 422.598 4.047 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000484150601 899770862 /nfs/dbraw/zinc/77/08/62/899770862.db2.gz YJXTVVQKEPAXPN-YYWHXJBOSA-N 2 2 402.991 4.350 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000484150601 899770871 /nfs/dbraw/zinc/77/08/71/899770871.db2.gz YJXTVVQKEPAXPN-YYWHXJBOSA-N 2 2 402.991 4.350 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000484154983 899775392 /nfs/dbraw/zinc/77/53/92/899775392.db2.gz DJUJSEYREIHFNR-UTKZUKDTSA-N 2 2 414.391 4.376 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000484154983 899775396 /nfs/dbraw/zinc/77/53/96/899775396.db2.gz DJUJSEYREIHFNR-UTKZUKDTSA-N 2 2 414.391 4.376 20 0 HIADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cs2)cs1 ZINC000484171732 899790826 /nfs/dbraw/zinc/79/08/26/899790826.db2.gz GXSXFVFRJQHNFJ-KSFYIVLOSA-N 2 2 413.612 4.468 20 0 HIADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cs2)cs1 ZINC000484171732 899790833 /nfs/dbraw/zinc/79/08/33/899790833.db2.gz GXSXFVFRJQHNFJ-KSFYIVLOSA-N 2 2 413.612 4.468 20 0 HIADLP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000487000885 902008366 /nfs/dbraw/zinc/00/83/66/902008366.db2.gz PMSPKLQCJREKMT-UHFFFAOYSA-N 2 2 420.384 4.449 20 0 HIADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489636251 903509797 /nfs/dbraw/zinc/50/97/97/903509797.db2.gz SLDGIXVEMJVYEX-IBGZPJMESA-N 2 2 407.558 4.060 20 0 HIADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489636251 903509808 /nfs/dbraw/zinc/50/98/08/903509808.db2.gz SLDGIXVEMJVYEX-IBGZPJMESA-N 2 2 407.558 4.060 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000490157140 903798245 /nfs/dbraw/zinc/79/82/45/903798245.db2.gz LREXCSRYRPZJLL-YADHBBJMSA-N 2 2 417.956 4.101 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000490157140 903798250 /nfs/dbraw/zinc/79/82/50/903798250.db2.gz LREXCSRYRPZJLL-YADHBBJMSA-N 2 2 417.956 4.101 20 0 HIADLP Brc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000490341973 903933824 /nfs/dbraw/zinc/93/38/24/903933824.db2.gz RNXMJOOUMYFHSP-QRWLVFNGSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000490341973 903933838 /nfs/dbraw/zinc/93/38/38/903933838.db2.gz RNXMJOOUMYFHSP-QRWLVFNGSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000490341973 903933850 /nfs/dbraw/zinc/93/38/50/903933850.db2.gz RNXMJOOUMYFHSP-QRWLVFNGSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000490341973 903933860 /nfs/dbraw/zinc/93/38/60/903933860.db2.gz RNXMJOOUMYFHSP-QRWLVFNGSA-N 2 2 400.364 4.446 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490963667 904338752 /nfs/dbraw/zinc/33/87/52/904338752.db2.gz YTVBOZSOAJDAAY-AVRDEDQJSA-N 2 2 415.528 4.215 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490963667 904338770 /nfs/dbraw/zinc/33/87/70/904338770.db2.gz YTVBOZSOAJDAAY-AVRDEDQJSA-N 2 2 415.528 4.215 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490963674 904338879 /nfs/dbraw/zinc/33/88/79/904338879.db2.gz YTVBOZSOAJDAAY-XMSQKQJNSA-N 2 2 415.528 4.215 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490963674 904338895 /nfs/dbraw/zinc/33/88/95/904338895.db2.gz YTVBOZSOAJDAAY-XMSQKQJNSA-N 2 2 415.528 4.215 20 0 HIADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490983458 904349885 /nfs/dbraw/zinc/34/98/85/904349885.db2.gz CPCFWUWXXZSMSU-FUHIMQAGSA-N 2 2 402.970 4.014 20 0 HIADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490983458 904349904 /nfs/dbraw/zinc/34/99/04/904349904.db2.gz CPCFWUWXXZSMSU-FUHIMQAGSA-N 2 2 402.970 4.014 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000491054888 904398246 /nfs/dbraw/zinc/39/82/46/904398246.db2.gz XVFJUEKGMVGLAB-XMMPIXPASA-N 2 2 408.590 4.230 20 0 HIADLP CC(C)C[C@@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000491875139 904718574 /nfs/dbraw/zinc/71/85/74/904718574.db2.gz JLSVYJALKPDWMJ-UGKGYDQZSA-N 2 2 420.561 4.213 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(Br)c(Cl)c3)[nH+]c2)C1 ZINC000492151370 904806892 /nfs/dbraw/zinc/80/68/92/904806892.db2.gz MDYSHJKPBGRCJI-HNNXBMFYSA-N 2 2 409.759 4.250 20 0 HIADLP FC(F)Oc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000493150742 905032691 /nfs/dbraw/zinc/03/26/91/905032691.db2.gz PRFJRLQLQXCFRS-WZONZLPQSA-N 2 2 416.512 4.468 20 0 HIADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494402051 905694980 /nfs/dbraw/zinc/69/49/80/905694980.db2.gz BNQRQIAFDMOHGD-DNQXCXABSA-N 2 2 421.589 4.208 20 0 HIADLP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494568237 905841085 /nfs/dbraw/zinc/84/10/85/905841085.db2.gz XDTKFKOPLOBERL-GOTSBHOMSA-N 2 2 409.578 4.067 20 0 HIADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000494880257 906058327 /nfs/dbraw/zinc/05/83/27/906058327.db2.gz RXEBNJIYDKJTPW-OFVILXPXSA-N 2 2 411.565 4.095 20 0 HIADLP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000494880259 906058723 /nfs/dbraw/zinc/05/87/23/906058723.db2.gz RXEBNJIYDKJTPW-PXDATVDWSA-N 2 2 411.565 4.095 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495185276 906293968 /nfs/dbraw/zinc/29/39/68/906293968.db2.gz UQLBHCTZPDVKNG-DVECYGJZSA-N 2 2 402.542 4.074 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495185276 906293982 /nfs/dbraw/zinc/29/39/82/906293982.db2.gz UQLBHCTZPDVKNG-DVECYGJZSA-N 2 2 402.542 4.074 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495185276 906293990 /nfs/dbraw/zinc/29/39/90/906293990.db2.gz UQLBHCTZPDVKNG-DVECYGJZSA-N 2 2 402.542 4.074 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000495185276 906294003 /nfs/dbraw/zinc/29/40/03/906294003.db2.gz UQLBHCTZPDVKNG-DVECYGJZSA-N 2 2 402.542 4.074 20 0 HIADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000496032624 906602318 /nfs/dbraw/zinc/60/23/18/906602318.db2.gz ITUCZCSKWJTCPA-DEOSSOPVSA-N 2 2 404.558 4.381 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1)c1ccccc1 ZINC000497693562 907199377 /nfs/dbraw/zinc/19/93/77/907199377.db2.gz DXFYPKXZTFRXGS-OAQYLSRUSA-N 2 2 410.587 4.075 20 0 HIADLP COc1ccc([C@H]2CCC[NH+]2CC(O)C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000497757090 907249304 /nfs/dbraw/zinc/24/93/04/907249304.db2.gz ZWJMPWQIOGMVNZ-JWQCQUIFSA-N 2 2 410.558 4.039 20 0 HIADLP COc1ccc([C@H]2CCC[NH+]2CC(O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000497757090 907249326 /nfs/dbraw/zinc/24/93/26/907249326.db2.gz ZWJMPWQIOGMVNZ-JWQCQUIFSA-N 2 2 410.558 4.039 20 0 HIADLP Cc1cccc(Nc2ccccc2C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000498423431 907895604 /nfs/dbraw/zinc/89/56/04/907895604.db2.gz CGFJKQZRTSXYCY-UHFFFAOYSA-N 2 2 408.590 4.145 20 0 HIADLP Cc1cccc(Nc2ccccc2C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000498423431 907895607 /nfs/dbraw/zinc/89/56/07/907895607.db2.gz CGFJKQZRTSXYCY-UHFFFAOYSA-N 2 2 408.590 4.145 20 0 HIADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4cccc5ccccc54)C3)CC2)nc1 ZINC000498576739 908032819 /nfs/dbraw/zinc/03/28/19/908032819.db2.gz UZFGVQAEMSRFMT-QFIPXVFZSA-N 2 2 400.570 4.269 20 0 HIADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4cccc5ccccc54)C3)CC2)nc1 ZINC000498576739 908032839 /nfs/dbraw/zinc/03/28/39/908032839.db2.gz UZFGVQAEMSRFMT-QFIPXVFZSA-N 2 2 400.570 4.269 20 0 HIADLP O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499021222 908397497 /nfs/dbraw/zinc/39/74/97/908397497.db2.gz LUGCIOODIJJVGR-JOCHJYFZSA-N 2 2 413.562 4.150 20 0 HIADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499021222 908397515 /nfs/dbraw/zinc/39/75/15/908397515.db2.gz LUGCIOODIJJVGR-JOCHJYFZSA-N 2 2 413.562 4.150 20 0 HIADLP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000501033723 910249286 /nfs/dbraw/zinc/24/92/86/910249286.db2.gz VDQVEDNVJDGDGT-FQEVSTJZSA-N 2 2 418.944 4.499 20 0 HIADLP Clc1cc(I)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000501376819 910505664 /nfs/dbraw/zinc/50/56/64/910505664.db2.gz HQELHAHMPHOFMX-UHFFFAOYSA-N 2 2 423.685 4.420 20 0 HIADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)CC2)cc1 ZINC000501384623 910513854 /nfs/dbraw/zinc/51/38/54/910513854.db2.gz AGCATDODERNOAG-RSXGOPAZSA-N 2 2 406.618 4.295 20 0 HIADLP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000501817959 910865227 /nfs/dbraw/zinc/86/52/27/910865227.db2.gz CGCZZRXOHXBAIW-UHFFFAOYSA-N 2 2 416.393 4.002 20 0 HIADLP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000501817959 910865234 /nfs/dbraw/zinc/86/52/34/910865234.db2.gz CGCZZRXOHXBAIW-UHFFFAOYSA-N 2 2 416.393 4.002 20 0 HIADLP COC1CC[NH+](C2(CNC3CC[NH+](Cc4ccc(Cl)cc4)CC3)CCCC2)CC1 ZINC000513224719 921638673 /nfs/dbraw/zinc/63/86/73/921638673.db2.gz VKWPCZRPGQRVCR-UHFFFAOYSA-N 2 2 420.041 4.318 20 0 HIADLP Cc1[nH+]ccn1CCCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000502306876 911270083 /nfs/dbraw/zinc/27/00/83/911270083.db2.gz UIGGUYINTGWMLW-HNNXBMFYSA-N 2 2 402.543 4.106 20 0 HIADLP Clc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc2c1OCCCO2 ZINC000502343466 911322578 /nfs/dbraw/zinc/32/25/78/911322578.db2.gz FJTBLCACEHJQEY-KRWDZBQOSA-N 2 2 401.938 4.414 20 0 HIADLP Clc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc2c1OCCCO2 ZINC000502343466 911322596 /nfs/dbraw/zinc/32/25/96/911322596.db2.gz FJTBLCACEHJQEY-KRWDZBQOSA-N 2 2 401.938 4.414 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCC1)c1ccccc1 ZINC000502950792 911934665 /nfs/dbraw/zinc/93/46/65/911934665.db2.gz MYGYYWKRLJTEMK-FQEVSTJZSA-N 2 2 421.589 4.145 20 0 HIADLP CCC(CC)(CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000502960109 911941430 /nfs/dbraw/zinc/94/14/30/911941430.db2.gz NKVPFJAZGPTWIG-FQEVSTJZSA-N 2 2 423.605 4.391 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2cccs2)cc1 ZINC000503076791 912049618 /nfs/dbraw/zinc/04/96/18/912049618.db2.gz QXVLFDFZRBXBPC-VNZMSGEBSA-N 2 2 422.598 4.296 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2cccs2)cc1 ZINC000503076791 912049638 /nfs/dbraw/zinc/04/96/38/912049638.db2.gz QXVLFDFZRBXBPC-VNZMSGEBSA-N 2 2 422.598 4.296 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000506568223 915216320 /nfs/dbraw/zinc/21/63/20/915216320.db2.gz WRFZLMNEXLSYCP-RDTXWAMCSA-N 2 2 423.445 4.497 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000506568223 915216342 /nfs/dbraw/zinc/21/63/42/915216342.db2.gz WRFZLMNEXLSYCP-RDTXWAMCSA-N 2 2 423.445 4.497 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000513423567 921791979 /nfs/dbraw/zinc/79/19/79/921791979.db2.gz LSKCWTZFXBEIPF-HXUWFJFHSA-N 2 2 409.574 4.056 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000508064238 916887158 /nfs/dbraw/zinc/88/71/58/916887158.db2.gz VSFCMIYRAVEQCY-LJQANCHMSA-N 2 2 405.995 4.101 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000508064238 916887161 /nfs/dbraw/zinc/88/71/61/916887161.db2.gz VSFCMIYRAVEQCY-LJQANCHMSA-N 2 2 405.995 4.101 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000508638977 917403789 /nfs/dbraw/zinc/40/37/89/917403789.db2.gz PRHKQWSAKDMESI-FXAWDEMLSA-N 2 2 403.954 4.086 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000508638977 917403795 /nfs/dbraw/zinc/40/37/95/917403795.db2.gz PRHKQWSAKDMESI-FXAWDEMLSA-N 2 2 403.954 4.086 20 0 HIADLP C[C@H](c1cccs1)[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000508822229 917575239 /nfs/dbraw/zinc/57/52/39/917575239.db2.gz NQFLNOCUFKVMHF-LJQANCHMSA-N 2 2 407.587 4.053 20 0 HIADLP C[C@H](c1cccs1)[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000508822229 917575253 /nfs/dbraw/zinc/57/52/53/917575253.db2.gz NQFLNOCUFKVMHF-LJQANCHMSA-N 2 2 407.587 4.053 20 0 HIADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)CCOCC1)c1ccccc1 ZINC000509460003 918110681 /nfs/dbraw/zinc/11/06/81/918110681.db2.gz TUOJZUIYSOITAF-GOSISDBHSA-N 2 2 410.587 4.138 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Sc4ccccn4)o3)c2)CCO1 ZINC000510168390 918720476 /nfs/dbraw/zinc/72/04/76/918720476.db2.gz ILCKBKDMPRNPAT-GOSISDBHSA-N 2 2 409.555 4.336 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Sc4ccccn4)o3)c2)CCO1 ZINC000510168390 918720488 /nfs/dbraw/zinc/72/04/88/918720488.db2.gz ILCKBKDMPRNPAT-GOSISDBHSA-N 2 2 409.555 4.336 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000510845975 919331548 /nfs/dbraw/zinc/33/15/48/919331548.db2.gz XZDLAOYTESEEAT-UHFFFAOYSA-N 2 2 414.553 4.112 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000510845975 919331563 /nfs/dbraw/zinc/33/15/63/919331563.db2.gz XZDLAOYTESEEAT-UHFFFAOYSA-N 2 2 414.553 4.112 20 0 HIADLP COc1cccc(CCC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510935942 919458729 /nfs/dbraw/zinc/45/87/29/919458729.db2.gz NWDRAZNXHFSVRZ-UHFFFAOYSA-N 2 2 418.335 4.382 20 0 HIADLP COc1cccc(CCC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510935942 919458742 /nfs/dbraw/zinc/45/87/42/919458742.db2.gz NWDRAZNXHFSVRZ-UHFFFAOYSA-N 2 2 418.335 4.382 20 0 HIADLP CC(C)[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000510979057 919530291 /nfs/dbraw/zinc/53/02/91/919530291.db2.gz NUQAXQCHDZNMHI-DEOSSOPVSA-N 2 2 401.639 4.067 20 0 HIADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000512007195 920778276 /nfs/dbraw/zinc/77/82/76/920778276.db2.gz IRHVMNCLDXNBHW-SJKOYZFVSA-N 2 2 423.932 4.103 20 0 HIADLP OCC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000512182939 920926451 /nfs/dbraw/zinc/92/64/51/920926451.db2.gz SVHYONMWWFFXHT-SIKLNZKXSA-N 2 2 423.384 4.298 20 0 HIADLP OCC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000512182939 920926483 /nfs/dbraw/zinc/92/64/83/920926483.db2.gz SVHYONMWWFFXHT-SIKLNZKXSA-N 2 2 423.384 4.298 20 0 HIADLP C[N@H+](Cc1ccc(F)c(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512365052 921107205 /nfs/dbraw/zinc/10/72/05/921107205.db2.gz RCFFNELTRPCUPI-UHFFFAOYSA-N 2 2 406.343 4.122 20 0 HIADLP C[N@@H+](Cc1ccc(F)c(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512365052 921107212 /nfs/dbraw/zinc/10/72/12/921107212.db2.gz RCFFNELTRPCUPI-UHFFFAOYSA-N 2 2 406.343 4.122 20 0 HIADLP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1OC ZINC000516559706 923796141 /nfs/dbraw/zinc/79/61/41/923796141.db2.gz KDPUBOITGNALSB-QUCCMNQESA-N 2 2 400.950 4.311 20 0 HIADLP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1OC ZINC000516559706 923796149 /nfs/dbraw/zinc/79/61/49/923796149.db2.gz KDPUBOITGNALSB-QUCCMNQESA-N 2 2 400.950 4.311 20 0 HIADLP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1OC ZINC000516559706 923796151 /nfs/dbraw/zinc/79/61/51/923796151.db2.gz KDPUBOITGNALSB-QUCCMNQESA-N 2 2 400.950 4.311 20 0 HIADLP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1OC ZINC000516559706 923796156 /nfs/dbraw/zinc/79/61/56/923796156.db2.gz KDPUBOITGNALSB-QUCCMNQESA-N 2 2 400.950 4.311 20 0 HIADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000520567085 928644740 /nfs/dbraw/zinc/64/47/40/928644740.db2.gz JXCVYXWEMQIGQZ-DEOSSOPVSA-N 2 2 402.542 4.089 20 0 HIADLP C[NH+](C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(Cl)c1 ZINC000521061706 928968000 /nfs/dbraw/zinc/96/80/00/928968000.db2.gz LZWUMNIBLFZPHX-HXUWFJFHSA-N 2 2 403.979 4.130 20 0 HIADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000521227117 929068205 /nfs/dbraw/zinc/06/82/05/929068205.db2.gz RIZQCATUZGFJKM-XMMPIXPASA-N 2 2 423.626 4.444 20 0 HIADLP Cc1ccc([C@H](CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000521463268 929232411 /nfs/dbraw/zinc/23/24/11/929232411.db2.gz IKOYODMOWQTFKZ-ROKPMTFOSA-N 2 2 424.589 4.029 20 0 HIADLP Cc1ccc([C@H](CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000521463268 929232422 /nfs/dbraw/zinc/23/24/22/929232422.db2.gz IKOYODMOWQTFKZ-ROKPMTFOSA-N 2 2 424.589 4.029 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(Br)c1 ZINC000530714029 930805928 /nfs/dbraw/zinc/80/59/28/930805928.db2.gz QDFHJFPLJLHELT-UHFFFAOYSA-N 3 2 414.457 4.139 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(Br)c1 ZINC000530714029 930805931 /nfs/dbraw/zinc/80/59/31/930805931.db2.gz QDFHJFPLJLHELT-UHFFFAOYSA-N 3 2 414.457 4.139 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(C(F)(F)F)c1 ZINC000531643019 931136802 /nfs/dbraw/zinc/13/68/02/931136802.db2.gz IINVIGJUIJUDJN-LJQANCHMSA-N 2 2 404.436 4.052 20 0 HIADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000531758820 931185153 /nfs/dbraw/zinc/18/51/53/931185153.db2.gz PLPFLOQENRCEFU-VQTJNVASSA-N 2 2 411.571 4.414 20 0 HIADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000531950768 931260589 /nfs/dbraw/zinc/26/05/89/931260589.db2.gz BOVCNBDTXTUUKZ-OAHLLOKOSA-N 2 2 402.420 4.398 20 0 HIADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000532015974 931285172 /nfs/dbraw/zinc/28/51/72/931285172.db2.gz KJGNSGMJKIQFRD-WOJBJXKFSA-N 2 2 408.464 4.433 20 0 HIADLP Fc1cc2cccnc2c(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000532113722 931318226 /nfs/dbraw/zinc/31/82/26/931318226.db2.gz TVDOGMYRVZLRBC-UHFFFAOYSA-N 2 2 406.549 4.062 20 0 HIADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000532222115 931360588 /nfs/dbraw/zinc/36/05/88/931360588.db2.gz SHEYSHUQUFHTTM-HNNXBMFYSA-N 2 2 405.340 4.043 20 0 HIADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000532497095 931462131 /nfs/dbraw/zinc/46/21/31/931462131.db2.gz CINIPWCHLUZLNV-SIKLNZKXSA-N 2 2 406.599 4.449 20 0 HIADLP Cc1cc(Br)ccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000532675165 931578825 /nfs/dbraw/zinc/57/88/25/931578825.db2.gz XUMBZKBOSLIHDI-UHFFFAOYSA-N 2 2 403.368 4.295 20 0 HIADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000532736649 931617991 /nfs/dbraw/zinc/61/79/91/931617991.db2.gz MMTORQHHQJKMEU-UHFFFAOYSA-N 2 2 403.530 4.299 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000532956878 931711240 /nfs/dbraw/zinc/71/12/40/931711240.db2.gz YYIIOIIMULXBJV-UHFFFAOYSA-N 2 2 410.949 4.333 20 0 HIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000532956878 931711255 /nfs/dbraw/zinc/71/12/55/931711255.db2.gz YYIIOIIMULXBJV-UHFFFAOYSA-N 2 2 410.949 4.333 20 0 HIADLP C[N@H+](C[C@H](O)COc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000533382819 931854247 /nfs/dbraw/zinc/85/42/47/931854247.db2.gz KFYBQKFEIQEGRU-VWLOTQADSA-N 2 2 404.554 4.176 20 0 HIADLP C[N@@H+](C[C@H](O)COc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000533382819 931854248 /nfs/dbraw/zinc/85/42/48/931854248.db2.gz KFYBQKFEIQEGRU-VWLOTQADSA-N 2 2 404.554 4.176 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000533485068 931881608 /nfs/dbraw/zinc/88/16/08/931881608.db2.gz MMFICZDQTIESLB-CYFREDJKSA-N 2 2 407.558 4.203 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000533485068 931881609 /nfs/dbraw/zinc/88/16/09/931881609.db2.gz MMFICZDQTIESLB-CYFREDJKSA-N 2 2 407.558 4.203 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000533485068 931881610 /nfs/dbraw/zinc/88/16/10/931881610.db2.gz MMFICZDQTIESLB-CYFREDJKSA-N 2 2 407.558 4.203 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000533485068 931881612 /nfs/dbraw/zinc/88/16/12/931881612.db2.gz MMFICZDQTIESLB-CYFREDJKSA-N 2 2 407.558 4.203 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000533485121 931881749 /nfs/dbraw/zinc/88/17/49/931881749.db2.gz USNPPYFBRGRJGF-SFHVURJKSA-N 2 2 404.514 4.195 20 0 HIADLP CN(C(=O)Nc1nc2ccccc2s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533640798 931940263 /nfs/dbraw/zinc/94/02/63/931940263.db2.gz ZGYYWBBKCGECQS-RBUKOAKNSA-N 2 2 415.607 4.097 20 0 HIADLP CN(C(=O)Nc1nc2ccccc2s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533640798 931940266 /nfs/dbraw/zinc/94/02/66/931940266.db2.gz ZGYYWBBKCGECQS-RBUKOAKNSA-N 2 2 415.607 4.097 20 0 HIADLP CCn1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000533646840 931943323 /nfs/dbraw/zinc/94/33/23/931943323.db2.gz FLVSSMMNLLYGGT-GOTSBHOMSA-N 2 2 410.606 4.070 20 0 HIADLP CCn1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000533646840 931943326 /nfs/dbraw/zinc/94/33/26/931943326.db2.gz FLVSSMMNLLYGGT-GOTSBHOMSA-N 2 2 410.606 4.070 20 0 HIADLP CN(C(=O)C/C=C/c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533647914 931943517 /nfs/dbraw/zinc/94/35/17/931943517.db2.gz HKSGOPIJJQARBK-ZLHQQMCGSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)C/C=C/c1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533647914 931943526 /nfs/dbraw/zinc/94/35/26/931943526.db2.gz HKSGOPIJJQARBK-ZLHQQMCGSA-N 2 2 401.570 4.025 20 0 HIADLP C[C@@H]1CCc2c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)csc2C1 ZINC000533648467 931944910 /nfs/dbraw/zinc/94/49/10/931944910.db2.gz OGAVEPKYVBOTGV-ZPMCFJSWSA-N 2 2 417.663 4.282 20 0 HIADLP C[C@@H]1CCc2c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)csc2C1 ZINC000533648467 931944915 /nfs/dbraw/zinc/94/49/15/931944915.db2.gz OGAVEPKYVBOTGV-ZPMCFJSWSA-N 2 2 417.663 4.282 20 0 HIADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000533881482 932079046 /nfs/dbraw/zinc/07/90/46/932079046.db2.gz YFPYENDQIJBSCG-LJQANCHMSA-N 2 2 407.562 4.235 20 0 HIADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000533881482 932079053 /nfs/dbraw/zinc/07/90/53/932079053.db2.gz YFPYENDQIJBSCG-LJQANCHMSA-N 2 2 407.562 4.235 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534125763 932291526 /nfs/dbraw/zinc/29/15/26/932291526.db2.gz XCDUTMBOAMYVDT-PZJWPPBQSA-N 2 2 411.933 4.323 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534125763 932291538 /nfs/dbraw/zinc/29/15/38/932291538.db2.gz XCDUTMBOAMYVDT-PZJWPPBQSA-N 2 2 411.933 4.323 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534206378 932331613 /nfs/dbraw/zinc/33/16/13/932331613.db2.gz CNSQYROXDDVGLP-DHIUTWEWSA-N 2 2 416.610 4.195 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534206378 932331622 /nfs/dbraw/zinc/33/16/22/932331622.db2.gz CNSQYROXDDVGLP-DHIUTWEWSA-N 2 2 416.610 4.195 20 0 HIADLP CN(C(=O)CCc1cc(Cl)cs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357929 932392195 /nfs/dbraw/zinc/39/21/95/932392195.db2.gz CINJTBLEZUFKHB-VQTJNVASSA-N 2 2 412.043 4.130 20 0 HIADLP CN(C(=O)CCc1cc(Cl)cs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357929 932392204 /nfs/dbraw/zinc/39/22/04/932392204.db2.gz CINJTBLEZUFKHB-VQTJNVASSA-N 2 2 412.043 4.130 20 0 HIADLP CN(C(=O)CCc1cc(Cl)cs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357927 932392463 /nfs/dbraw/zinc/39/24/63/932392463.db2.gz CINJTBLEZUFKHB-PMACEKPBSA-N 2 2 412.043 4.130 20 0 HIADLP CN(C(=O)CCc1cc(Cl)cs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357927 932392468 /nfs/dbraw/zinc/39/24/68/932392468.db2.gz CINJTBLEZUFKHB-PMACEKPBSA-N 2 2 412.043 4.130 20 0 HIADLP CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534382792 932409553 /nfs/dbraw/zinc/40/95/53/932409553.db2.gz CJHDALIIHVAGPC-MYGLTJDJSA-N 2 2 424.699 4.029 20 0 HIADLP CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534382792 932409558 /nfs/dbraw/zinc/40/95/58/932409558.db2.gz CJHDALIIHVAGPC-MYGLTJDJSA-N 2 2 424.699 4.029 20 0 HIADLP CSc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534932361 932844366 /nfs/dbraw/zinc/84/43/66/932844366.db2.gz NUJKKCRJXYEXGM-VQTJNVASSA-N 2 2 404.624 4.209 20 0 HIADLP CSc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534932361 932844370 /nfs/dbraw/zinc/84/43/70/932844370.db2.gz NUJKKCRJXYEXGM-VQTJNVASSA-N 2 2 404.624 4.209 20 0 HIADLP CSc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534932362 932844483 /nfs/dbraw/zinc/84/44/83/932844483.db2.gz NUJKKCRJXYEXGM-WOJBJXKFSA-N 2 2 404.624 4.209 20 0 HIADLP CSc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534932362 932844486 /nfs/dbraw/zinc/84/44/86/932844486.db2.gz NUJKKCRJXYEXGM-WOJBJXKFSA-N 2 2 404.624 4.209 20 0 HIADLP C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094655 932909341 /nfs/dbraw/zinc/90/93/41/932909341.db2.gz KJNAYCZEPJHDCK-FOVJLYNBSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094655 932909352 /nfs/dbraw/zinc/90/93/52/932909352.db2.gz KJNAYCZEPJHDCK-FOVJLYNBSA-N 2 2 417.613 4.190 20 0 HIADLP CCSCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097177 932912899 /nfs/dbraw/zinc/91/28/99/932912899.db2.gz SQGHXAJJKAPXPO-GOTSBHOMSA-N 2 2 417.663 4.349 20 0 HIADLP CCSCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097177 932912909 /nfs/dbraw/zinc/91/29/09/932912909.db2.gz SQGHXAJJKAPXPO-GOTSBHOMSA-N 2 2 417.663 4.349 20 0 HIADLP CCSCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097174 932913408 /nfs/dbraw/zinc/91/34/08/932913408.db2.gz SQGHXAJJKAPXPO-DHIUTWEWSA-N 2 2 417.663 4.349 20 0 HIADLP CCSCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535097174 932913419 /nfs/dbraw/zinc/91/34/19/932913419.db2.gz SQGHXAJJKAPXPO-DHIUTWEWSA-N 2 2 417.663 4.349 20 0 HIADLP CCOc1cc(C)ccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535643558 933285778 /nfs/dbraw/zinc/28/57/78/933285778.db2.gz ZSQZKKNZMJESQF-YADHBBJMSA-N 2 2 416.610 4.195 20 0 HIADLP CCOc1cc(C)ccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535643558 933285789 /nfs/dbraw/zinc/28/57/89/933285789.db2.gz ZSQZKKNZMJESQF-YADHBBJMSA-N 2 2 416.610 4.195 20 0 HIADLP CC(C)Oc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535646885 933288074 /nfs/dbraw/zinc/28/80/74/933288074.db2.gz MKULSMLXGVFNRQ-FGZHOGPDSA-N 2 2 416.610 4.275 20 0 HIADLP CC(C)Oc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535646885 933288097 /nfs/dbraw/zinc/28/80/97/933288097.db2.gz MKULSMLXGVFNRQ-FGZHOGPDSA-N 2 2 416.610 4.275 20 0 HIADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000535839376 933424295 /nfs/dbraw/zinc/42/42/95/933424295.db2.gz YGJDJIKXEYFKEB-VQTJNVASSA-N 2 2 404.917 4.108 20 0 HIADLP CN(C(=O)C/C=C\c1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851447 933434046 /nfs/dbraw/zinc/43/40/46/933434046.db2.gz AFAADWMHXRNPQP-CRIFREMMSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)C/C=C\c1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851447 933434051 /nfs/dbraw/zinc/43/40/51/933434051.db2.gz AFAADWMHXRNPQP-CRIFREMMSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)c1cc2c(s1)CCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851566 933434271 /nfs/dbraw/zinc/43/42/71/933434271.db2.gz GPMKMRXHELXSAI-WOJBJXKFSA-N 2 2 403.636 4.036 20 0 HIADLP CN(C(=O)c1cc2c(s1)CCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851566 933434273 /nfs/dbraw/zinc/43/42/73/933434273.db2.gz GPMKMRXHELXSAI-WOJBJXKFSA-N 2 2 403.636 4.036 20 0 HIADLP CN(C(=O)c1cc2cc(F)ccc2s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851820 933436081 /nfs/dbraw/zinc/43/60/81/933436081.db2.gz RONXPPNKOLCKMT-VQTJNVASSA-N 2 2 417.594 4.450 20 0 HIADLP CN(C(=O)c1cc2cc(F)ccc2s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851820 933436082 /nfs/dbraw/zinc/43/60/82/933436082.db2.gz RONXPPNKOLCKMT-VQTJNVASSA-N 2 2 417.594 4.450 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851655 933436099 /nfs/dbraw/zinc/43/60/99/933436099.db2.gz KHEAOSOAPVRLPF-VXKWHMMOSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851655 933436101 /nfs/dbraw/zinc/43/61/01/933436101.db2.gz KHEAOSOAPVRLPF-VXKWHMMOSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)c1ccc(OC2CCC2)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855822 933439455 /nfs/dbraw/zinc/43/94/55/933439455.db2.gz OQQCNDYKLHTPBI-DNQXCXABSA-N 2 2 413.606 4.027 20 0 HIADLP CN(C(=O)c1ccc(OC2CCC2)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855822 933439460 /nfs/dbraw/zinc/43/94/60/933439460.db2.gz OQQCNDYKLHTPBI-DNQXCXABSA-N 2 2 413.606 4.027 20 0 HIADLP Cc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000537607167 938332291 /nfs/dbraw/zinc/33/22/91/938332291.db2.gz OXSWBFZLDJYXQU-QHCPKHFHSA-N 2 2 411.571 4.063 20 0 HIADLP CC[N@H+](Cc1c(C)nc2ccccn21)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537627120 938338954 /nfs/dbraw/zinc/33/89/54/938338954.db2.gz PJLNKBOBNGHOTF-UHFFFAOYSA-N 2 2 406.578 4.355 20 0 HIADLP CC[N@@H+](Cc1c(C)nc2ccccn21)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537627120 938338957 /nfs/dbraw/zinc/33/89/57/938338957.db2.gz PJLNKBOBNGHOTF-UHFFFAOYSA-N 2 2 406.578 4.355 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694374 938356969 /nfs/dbraw/zinc/35/69/69/938356969.db2.gz IGVKMDLGCFKHIJ-YADHBBJMSA-N 2 2 410.558 4.199 20 0 HIADLP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694374 938356974 /nfs/dbraw/zinc/35/69/74/938356974.db2.gz IGVKMDLGCFKHIJ-YADHBBJMSA-N 2 2 410.558 4.199 20 0 HIADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694374 938356978 /nfs/dbraw/zinc/35/69/78/938356978.db2.gz IGVKMDLGCFKHIJ-YADHBBJMSA-N 2 2 410.558 4.199 20 0 HIADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694374 938356982 /nfs/dbraw/zinc/35/69/82/938356982.db2.gz IGVKMDLGCFKHIJ-YADHBBJMSA-N 2 2 410.558 4.199 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccc(OCC(F)F)c2)CC1 ZINC000537749756 938369217 /nfs/dbraw/zinc/36/92/17/938369217.db2.gz PBJGBROBKPIXDB-UHFFFAOYSA-N 2 2 409.908 4.026 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054956 938487817 /nfs/dbraw/zinc/48/78/17/938487817.db2.gz ZHGGZPBMLLSKFV-PMACEKPBSA-N 2 2 424.992 4.177 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538054956 938487818 /nfs/dbraw/zinc/48/78/18/938487818.db2.gz ZHGGZPBMLLSKFV-PMACEKPBSA-N 2 2 424.992 4.177 20 0 HIADLP CCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)cc1 ZINC000538201566 938552218 /nfs/dbraw/zinc/55/22/18/938552218.db2.gz PDVWFDOKEYXLDB-OAHLLOKOSA-N 2 2 404.605 4.140 20 0 HIADLP CC[C@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1nnc2n1CCCCC2 ZINC000538260911 938577501 /nfs/dbraw/zinc/57/75/01/938577501.db2.gz LIPHKPMMHNEGJN-VQTJNVASSA-N 2 2 409.578 4.033 20 0 HIADLP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccccc1O2 ZINC000538293945 938585121 /nfs/dbraw/zinc/58/51/21/938585121.db2.gz MTOLEYIYCMKHCP-QHCPKHFHSA-N 2 2 416.569 4.204 20 0 HIADLP O=C1[C@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538465525 938628399 /nfs/dbraw/zinc/62/83/99/938628399.db2.gz DBRUOOUVKSMFTQ-LEWJYISDSA-N 2 2 423.523 4.147 20 0 HIADLP O=C1[C@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538465525 938628400 /nfs/dbraw/zinc/62/84/00/938628400.db2.gz DBRUOOUVKSMFTQ-LEWJYISDSA-N 2 2 423.523 4.147 20 0 HIADLP COc1cc(OC)c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1Cl ZINC000538558233 938648885 /nfs/dbraw/zinc/64/88/85/938648885.db2.gz SVMGLGAAUAAVPY-HOCLYGCPSA-N 2 2 404.942 4.066 20 0 HIADLP CC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538720695 938690584 /nfs/dbraw/zinc/69/05/84/938690584.db2.gz OJJXWGQLHYLJMB-UHFFFAOYSA-N 2 2 403.954 4.491 20 0 HIADLP CC[N@H+](Cc1ccc(OC)c(OC)c1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538720695 938690587 /nfs/dbraw/zinc/69/05/87/938690587.db2.gz OJJXWGQLHYLJMB-UHFFFAOYSA-N 2 2 403.954 4.491 20 0 HIADLP C[C@@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539077385 938796257 /nfs/dbraw/zinc/79/62/57/938796257.db2.gz LRANIAQCCPBLDU-WZONZLPQSA-N 2 2 410.949 4.250 20 0 HIADLP CCN1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539199101 938818558 /nfs/dbraw/zinc/81/85/58/938818558.db2.gz YFWABLDAYSUZND-IRLDBZIGSA-N 2 2 402.945 4.268 20 0 HIADLP Cc1cc2cccnc2c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539428772 938859376 /nfs/dbraw/zinc/85/93/76/938859376.db2.gz JPDLGYKTGWTKSE-GOTSBHOMSA-N 2 2 423.605 4.344 20 0 HIADLP Cc1cc2cccnc2c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539428772 938859378 /nfs/dbraw/zinc/85/93/78/938859378.db2.gz JPDLGYKTGWTKSE-GOTSBHOMSA-N 2 2 423.605 4.344 20 0 HIADLP CN(C(=O)Nc1cc(F)ccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539460131 938864043 /nfs/dbraw/zinc/86/40/43/938864043.db2.gz JBLYCHGHWSWJHV-UXHICEINSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cc(F)ccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539460131 938864044 /nfs/dbraw/zinc/86/40/44/938864044.db2.gz JBLYCHGHWSWJHV-UXHICEINSA-N 2 2 410.965 4.280 20 0 HIADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000539498747 938869248 /nfs/dbraw/zinc/86/92/48/938869248.db2.gz WLEUYXQFLXRWNH-SFHVURJKSA-N 2 2 405.542 4.234 20 0 HIADLP C[NH+]1CCC(CNC(=O)CCCc2ccc3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000540499406 939278160 /nfs/dbraw/zinc/27/81/60/939278160.db2.gz GWXBXJZXNCLEDN-UHFFFAOYSA-N 2 2 407.602 4.229 20 0 HIADLP CC[N@H+](Cc1ccc2c(c1)ncn2C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000540505952 939280556 /nfs/dbraw/zinc/28/05/56/939280556.db2.gz PAAPEHIVYSHWSA-UHFFFAOYSA-N 2 2 406.578 4.286 20 0 HIADLP CC[N@@H+](Cc1ccc2c(c1)ncn2C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000540505952 939280561 /nfs/dbraw/zinc/28/05/61/939280561.db2.gz PAAPEHIVYSHWSA-UHFFFAOYSA-N 2 2 406.578 4.286 20 0 HIADLP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540754654 939360554 /nfs/dbraw/zinc/36/05/54/939360554.db2.gz WGXMZTVVTAAMFM-RLWLMLJZSA-N 2 2 424.548 4.451 20 0 HIADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1Br ZINC000540757149 939361749 /nfs/dbraw/zinc/36/17/49/939361749.db2.gz ZMJBABBGSNIVGE-YOEHRIQHSA-N 2 2 419.367 4.166 20 0 HIADLP O=[S@@](CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cc(Cl)ccc1Cl ZINC000541204011 939485572 /nfs/dbraw/zinc/48/55/72/939485572.db2.gz AUPYUKALGGRFCO-SANMLTNESA-N 2 2 414.402 4.490 20 0 HIADLP CCOc1cc(Cl)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541250867 939487644 /nfs/dbraw/zinc/48/76/44/939487644.db2.gz CTVFZTDQTWVONF-RTWAWAEBSA-N 2 2 422.013 4.148 20 0 HIADLP CCOc1cc(Cl)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541250867 939487645 /nfs/dbraw/zinc/48/76/45/939487645.db2.gz CTVFZTDQTWVONF-RTWAWAEBSA-N 2 2 422.013 4.148 20 0 HIADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541407328 939507826 /nfs/dbraw/zinc/50/78/26/939507826.db2.gz PFGFFKQYJQJRGE-TZIWHRDSSA-N 2 2 410.562 4.040 20 0 HIADLP Cc1cc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2cccnc2)ccc1F ZINC000541548169 939551720 /nfs/dbraw/zinc/55/17/20/939551720.db2.gz CZGLOQOWCGWUGK-RUZDIDTESA-N 2 2 405.517 4.241 20 0 HIADLP C[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599543 939564007 /nfs/dbraw/zinc/56/40/07/939564007.db2.gz JLABKKYYAGKYIK-LSDHHAIUSA-N 2 2 419.418 4.010 20 0 HIADLP C[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599543 939564009 /nfs/dbraw/zinc/56/40/09/939564009.db2.gz JLABKKYYAGKYIK-LSDHHAIUSA-N 2 2 419.418 4.010 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000542466499 939827913 /nfs/dbraw/zinc/82/79/13/939827913.db2.gz MIVRIGXEZPMGKZ-VWLOTQADSA-N 3 2 401.558 4.064 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000542466499 939827914 /nfs/dbraw/zinc/82/79/14/939827914.db2.gz MIVRIGXEZPMGKZ-VWLOTQADSA-N 3 2 401.558 4.064 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000542466499 939827916 /nfs/dbraw/zinc/82/79/16/939827916.db2.gz MIVRIGXEZPMGKZ-VWLOTQADSA-N 3 2 401.558 4.064 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000542466499 939827918 /nfs/dbraw/zinc/82/79/18/939827918.db2.gz MIVRIGXEZPMGKZ-VWLOTQADSA-N 3 2 401.558 4.064 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)c2)cc[nH+]1 ZINC000542647181 939851531 /nfs/dbraw/zinc/85/15/31/939851531.db2.gz FCAKSAKYJDFBKA-UHFFFAOYSA-N 2 2 421.589 4.170 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000542941327 939882620 /nfs/dbraw/zinc/88/26/20/939882620.db2.gz BIAKTFHWFPHZCC-SFHVURJKSA-N 2 2 400.482 4.246 20 0 HIADLP O=C1[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000543061595 939916037 /nfs/dbraw/zinc/91/60/37/939916037.db2.gz USVBKIFXJGEOJK-FQEVSTJZSA-N 2 2 420.479 4.200 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)o1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543130763 939962396 /nfs/dbraw/zinc/96/23/96/939962396.db2.gz YNDIHMVZNMODQG-FGZHOGPDSA-N 2 2 409.574 4.356 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543130763 939962403 /nfs/dbraw/zinc/96/24/03/939962403.db2.gz YNDIHMVZNMODQG-FGZHOGPDSA-N 2 2 409.574 4.356 20 0 HIADLP C[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000543139430 939967166 /nfs/dbraw/zinc/96/71/66/939967166.db2.gz CEXDQVUYBKCOEP-FQEVSTJZSA-N 2 2 422.491 4.042 20 0 HIADLP C[N@@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000543139430 939967172 /nfs/dbraw/zinc/96/71/72/939967172.db2.gz CEXDQVUYBKCOEP-FQEVSTJZSA-N 2 2 422.491 4.042 20 0 HIADLP CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393370 940050444 /nfs/dbraw/zinc/05/04/44/940050444.db2.gz BXQUABDTTSRGDJ-KBMIEXCESA-N 2 2 418.589 4.012 20 0 HIADLP CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393370 940050446 /nfs/dbraw/zinc/05/04/46/940050446.db2.gz BXQUABDTTSRGDJ-KBMIEXCESA-N 2 2 418.589 4.012 20 0 HIADLP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393370 940050449 /nfs/dbraw/zinc/05/04/49/940050449.db2.gz BXQUABDTTSRGDJ-KBMIEXCESA-N 2 2 418.589 4.012 20 0 HIADLP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393370 940050451 /nfs/dbraw/zinc/05/04/51/940050451.db2.gz BXQUABDTTSRGDJ-KBMIEXCESA-N 2 2 418.589 4.012 20 0 HIADLP Cc1cc([C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c2cccnc2)ccc1F ZINC000543426868 940060910 /nfs/dbraw/zinc/06/09/10/940060910.db2.gz MPIGGVARNPIITA-QPPBQGQZSA-N 2 2 405.521 4.266 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000543988690 940285254 /nfs/dbraw/zinc/28/52/54/940285254.db2.gz WTSFDLXSCLOQEH-ROUUACIJSA-N 2 2 402.970 4.295 20 0 HIADLP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543990063 940286822 /nfs/dbraw/zinc/28/68/22/940286822.db2.gz MZQRBQFVUYFJKI-MRXNPFEDSA-N 2 2 408.468 4.421 20 0 HIADLP C[C@H](CSc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544035421 940306232 /nfs/dbraw/zinc/30/62/32/940306232.db2.gz ILXGGNQTYAGGTG-PTUXOGIPSA-N 2 2 417.663 4.210 20 0 HIADLP C[C@H](CSc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544035421 940306236 /nfs/dbraw/zinc/30/62/36/940306236.db2.gz ILXGGNQTYAGGTG-PTUXOGIPSA-N 2 2 417.663 4.210 20 0 HIADLP C[C@H](CSc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544035422 940306345 /nfs/dbraw/zinc/30/63/45/940306345.db2.gz ILXGGNQTYAGGTG-UEVCKROQSA-N 2 2 417.663 4.210 20 0 HIADLP C[C@H](CSc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544035422 940306350 /nfs/dbraw/zinc/30/63/50/940306350.db2.gz ILXGGNQTYAGGTG-UEVCKROQSA-N 2 2 417.663 4.210 20 0 HIADLP CC[N@H+](Cc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1)C1CC1 ZINC000544545543 940476143 /nfs/dbraw/zinc/47/61/43/940476143.db2.gz SNIAHPCNSZCISE-UHFFFAOYSA-N 2 2 418.541 4.220 20 0 HIADLP CC[N@@H+](Cc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1)C1CC1 ZINC000544545543 940476144 /nfs/dbraw/zinc/47/61/44/940476144.db2.gz SNIAHPCNSZCISE-UHFFFAOYSA-N 2 2 418.541 4.220 20 0 HIADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)c1O ZINC000545465911 940571152 /nfs/dbraw/zinc/57/11/52/940571152.db2.gz XKPRTQIPHTYDDS-MAUKXSAKSA-N 2 2 419.363 4.164 20 0 HIADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)c1O ZINC000545465911 940571153 /nfs/dbraw/zinc/57/11/53/940571153.db2.gz XKPRTQIPHTYDDS-MAUKXSAKSA-N 2 2 419.363 4.164 20 0 HIADLP CN(C(=O)c1ccc(F)c(Cl)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545477851 940571513 /nfs/dbraw/zinc/57/15/13/940571513.db2.gz CHKUAYAEJRJYOX-MSOLQXFVSA-N 2 2 413.940 4.027 20 0 HIADLP CN(C(=O)c1ccc(F)c(Cl)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545477851 940571514 /nfs/dbraw/zinc/57/15/14/940571514.db2.gz CHKUAYAEJRJYOX-MSOLQXFVSA-N 2 2 413.940 4.027 20 0 HIADLP Cc1nc(C(F)(F)F)c(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000546102331 940700248 /nfs/dbraw/zinc/70/02/48/940700248.db2.gz SHDDLEOIKKHANV-UHFFFAOYSA-N 3 2 418.573 4.098 20 0 HIADLP Cc1nc(C(F)(F)F)c(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000546102331 940700258 /nfs/dbraw/zinc/70/02/58/940700258.db2.gz SHDDLEOIKKHANV-UHFFFAOYSA-N 3 2 418.573 4.098 20 0 HIADLP Cc1nc(C[NH+]2CCC(c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)CC2)cs1 ZINC000546388814 940808371 /nfs/dbraw/zinc/80/83/71/940808371.db2.gz AQMJUNAOWOIPRR-UHFFFAOYSA-N 2 2 423.586 4.477 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000546619236 940861507 /nfs/dbraw/zinc/86/15/07/940861507.db2.gz QSDVTGHTSTVAFQ-NRFANRHFSA-N 2 2 423.395 4.298 20 0 HIADLP Cc1cccc(C)c1[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000546911800 940911103 /nfs/dbraw/zinc/91/11/03/940911103.db2.gz QBMKTAHNPJSHFT-WWNPGLIZSA-N 2 2 414.638 4.343 20 0 HIADLP Cc1cccc(C)c1[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000546911800 940911108 /nfs/dbraw/zinc/91/11/08/940911108.db2.gz QBMKTAHNPJSHFT-WWNPGLIZSA-N 2 2 414.638 4.343 20 0 HIADLP c1cn(Cc2cccc(-c3noc(-c4ccc(C[NH+]5CCSCC5)cc4)n3)c2)c[nH+]1 ZINC000546991300 940945280 /nfs/dbraw/zinc/94/52/80/940945280.db2.gz AYHCEMCETLJAEF-UHFFFAOYSA-N 2 2 417.538 4.197 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000547508459 941066456 /nfs/dbraw/zinc/06/64/56/941066456.db2.gz IMLBTRYNXKRUDD-BEFAXECRSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000547508459 941066458 /nfs/dbraw/zinc/06/64/58/941066458.db2.gz IMLBTRYNXKRUDD-BEFAXECRSA-N 2 2 406.357 4.432 20 0 HIADLP CSCC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000548490913 941109207 /nfs/dbraw/zinc/10/92/07/941109207.db2.gz SQTLSCANECXNEL-JBACZVJFSA-N 2 2 409.603 4.024 20 0 HIADLP CSCC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000548490913 941109215 /nfs/dbraw/zinc/10/92/15/941109215.db2.gz SQTLSCANECXNEL-JBACZVJFSA-N 2 2 409.603 4.024 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000548931550 941130230 /nfs/dbraw/zinc/13/02/30/941130230.db2.gz PMVVLEKECKDFBA-ZCYQVOJMSA-N 2 2 405.586 4.144 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000548931550 941130231 /nfs/dbraw/zinc/13/02/31/941130231.db2.gz PMVVLEKECKDFBA-ZCYQVOJMSA-N 2 2 405.586 4.144 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000548930497 941130411 /nfs/dbraw/zinc/13/04/11/941130411.db2.gz DFQDQWIVUJLTRO-FQEVSTJZSA-N 2 2 424.570 4.232 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000548930497 941130413 /nfs/dbraw/zinc/13/04/13/941130413.db2.gz DFQDQWIVUJLTRO-FQEVSTJZSA-N 2 2 424.570 4.232 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000549166898 941167745 /nfs/dbraw/zinc/16/77/45/941167745.db2.gz USQNFCDMFUUBNB-HSZRJFAPSA-N 2 2 405.586 4.072 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000549166898 941167748 /nfs/dbraw/zinc/16/77/48/941167748.db2.gz USQNFCDMFUUBNB-HSZRJFAPSA-N 2 2 405.586 4.072 20 0 HIADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000549817693 941208411 /nfs/dbraw/zinc/20/84/11/941208411.db2.gz XIUAEPGLJYLHTJ-BJMVHTGZSA-N 2 2 404.517 4.283 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000550162593 941291818 /nfs/dbraw/zinc/29/18/18/941291818.db2.gz FXCPJVLPSBFQPP-NRFANRHFSA-N 2 2 416.569 4.479 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000550162593 941291823 /nfs/dbraw/zinc/29/18/23/941291823.db2.gz FXCPJVLPSBFQPP-NRFANRHFSA-N 2 2 416.569 4.479 20 0 HIADLP Fc1ccccc1[C@H]1CC[N@H+](CC2(C[NH+]3CC[C@@H](c4ccccc4F)C3)COC2)C1 ZINC000550209518 941298765 /nfs/dbraw/zinc/29/87/65/941298765.db2.gz OPLZXTONZYKVQF-BGYRXZFFSA-N 2 2 412.524 4.260 20 0 HIADLP Fc1ccccc1[C@H]1CC[N@@H+](CC2(C[NH+]3CC[C@@H](c4ccccc4F)C3)COC2)C1 ZINC000550209518 941298769 /nfs/dbraw/zinc/29/87/69/941298769.db2.gz OPLZXTONZYKVQF-BGYRXZFFSA-N 2 2 412.524 4.260 20 0 HIADLP Fc1ccccc1[C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](c4ccccc4F)C3)COC2)C1 ZINC000550209518 941298773 /nfs/dbraw/zinc/29/87/73/941298773.db2.gz OPLZXTONZYKVQF-BGYRXZFFSA-N 2 2 412.524 4.260 20 0 HIADLP Fc1ccccc1[C@H]1CC[NH+](CC2(C[N@H+]3CC[C@@H](c4ccccc4F)C3)COC2)C1 ZINC000550209518 941298776 /nfs/dbraw/zinc/29/87/76/941298776.db2.gz OPLZXTONZYKVQF-BGYRXZFFSA-N 2 2 412.524 4.260 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C[C@@H]1c1ccccc1 ZINC000550704640 941356137 /nfs/dbraw/zinc/35/61/37/941356137.db2.gz YWZNBECKTJWEER-CSODHUTKSA-N 2 2 401.913 4.010 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C[C@@H]1c1ccccc1 ZINC000550704640 941356142 /nfs/dbraw/zinc/35/61/42/941356142.db2.gz YWZNBECKTJWEER-CSODHUTKSA-N 2 2 401.913 4.010 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C[C@@H]1c1ccccc1 ZINC000550704652 941356592 /nfs/dbraw/zinc/35/65/92/941356592.db2.gz YWZNBECKTJWEER-XGHQBKJUSA-N 2 2 401.913 4.010 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C[C@@H]1c1ccccc1 ZINC000550704652 941356594 /nfs/dbraw/zinc/35/65/94/941356594.db2.gz YWZNBECKTJWEER-XGHQBKJUSA-N 2 2 401.913 4.010 20 0 HIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H]1c1ccccc1 ZINC000550797145 941367940 /nfs/dbraw/zinc/36/79/40/941367940.db2.gz MVQSIJQEWQUNLW-UXHICEINSA-N 2 2 401.348 4.309 20 0 HIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H]1c1ccccc1 ZINC000550797145 941367945 /nfs/dbraw/zinc/36/79/45/941367945.db2.gz MVQSIJQEWQUNLW-UXHICEINSA-N 2 2 401.348 4.309 20 0 HIADLP CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000550887640 941379865 /nfs/dbraw/zinc/37/98/65/941379865.db2.gz XUKILHHSSZQTOP-GOTSBHOMSA-N 2 2 423.582 4.044 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@H](c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000550996514 941392418 /nfs/dbraw/zinc/39/24/18/941392418.db2.gz QMLVYWZZCKVMQM-DYCBMTEISA-N 3 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](C)[C@H](c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000550996514 941392423 /nfs/dbraw/zinc/39/24/23/941392423.db2.gz QMLVYWZZCKVMQM-DYCBMTEISA-N 3 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000550996514 941392427 /nfs/dbraw/zinc/39/24/27/941392427.db2.gz QMLVYWZZCKVMQM-DYCBMTEISA-N 3 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000550996514 941392432 /nfs/dbraw/zinc/39/24/32/941392432.db2.gz QMLVYWZZCKVMQM-DYCBMTEISA-N 3 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H](c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000550996514 941392435 /nfs/dbraw/zinc/39/24/35/941392435.db2.gz QMLVYWZZCKVMQM-DYCBMTEISA-N 2 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H](c4ccccc4)C3)cc2)C[C@H](C)O1 ZINC000550996514 941392437 /nfs/dbraw/zinc/39/24/37/941392437.db2.gz QMLVYWZZCKVMQM-DYCBMTEISA-N 2 2 407.602 4.221 20 0 HIADLP CSC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000551273768 941440882 /nfs/dbraw/zinc/44/08/82/941440882.db2.gz ALYZUKJFUGCQHA-NHCUHLMSSA-N 2 2 424.532 4.118 20 0 HIADLP CSC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000551273768 941440887 /nfs/dbraw/zinc/44/08/87/941440887.db2.gz ALYZUKJFUGCQHA-NHCUHLMSSA-N 2 2 424.532 4.118 20 0 HIADLP Clc1ccc(C2([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CCOCC2)cc1 ZINC000551387841 941467007 /nfs/dbraw/zinc/46/70/07/941467007.db2.gz WGNIXGMVLRYJLE-QHCPKHFHSA-N 2 2 414.977 4.226 20 0 HIADLP Clc1ccc(C2([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CCOCC2)cc1 ZINC000551387841 941467008 /nfs/dbraw/zinc/46/70/08/941467008.db2.gz WGNIXGMVLRYJLE-QHCPKHFHSA-N 2 2 414.977 4.226 20 0 HIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000551592858 941508856 /nfs/dbraw/zinc/50/88/56/941508856.db2.gz FTERICAHMXLGNA-HNNXBMFYSA-N 2 2 421.326 4.001 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)c2)CC1 ZINC000552175307 941596660 /nfs/dbraw/zinc/59/66/60/941596660.db2.gz UIMTVJQDNFOSLC-UHFFFAOYSA-N 2 2 402.542 4.458 20 0 HIADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)Nc1nccs1 ZINC000552930018 941804912 /nfs/dbraw/zinc/80/49/12/941804912.db2.gz JMRUUZKOTSIBMG-SXLOBPIMSA-N 2 2 400.592 4.139 20 0 HIADLP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)Nc1nccs1 ZINC000552930018 941804913 /nfs/dbraw/zinc/80/49/13/941804913.db2.gz JMRUUZKOTSIBMG-SXLOBPIMSA-N 2 2 400.592 4.139 20 0 HIADLP FC(F)(F)[C@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000554089615 942034365 /nfs/dbraw/zinc/03/43/65/942034365.db2.gz GMEPKGUMYGZZHK-CIAFKFPVSA-N 2 2 404.476 4.354 20 0 HIADLP FC(F)(F)[C@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000554089615 942034370 /nfs/dbraw/zinc/03/43/70/942034370.db2.gz GMEPKGUMYGZZHK-CIAFKFPVSA-N 2 2 404.476 4.354 20 0 HIADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)c1 ZINC000554110801 942038766 /nfs/dbraw/zinc/03/87/66/942038766.db2.gz AKEXCXGWCTZAPZ-UHFFFAOYSA-N 2 2 418.541 4.222 20 0 HIADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554310176 942098265 /nfs/dbraw/zinc/09/82/65/942098265.db2.gz BYQBIUUWSHSONY-AVRDEDQJSA-N 2 2 411.615 4.300 20 0 HIADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554310176 942098277 /nfs/dbraw/zinc/09/82/77/942098277.db2.gz BYQBIUUWSHSONY-AVRDEDQJSA-N 2 2 411.615 4.300 20 0 HIADLP C[NH+](C)CCCCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000554556814 942167256 /nfs/dbraw/zinc/16/72/56/942167256.db2.gz DSRICGJIENSESP-XMMPIXPASA-N 2 2 413.993 4.306 20 0 HIADLP CCCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OCC ZINC000554889093 942309296 /nfs/dbraw/zinc/30/92/96/942309296.db2.gz FZVPSNLSPAHGKH-QAPCUYQASA-N 2 2 413.400 4.409 20 0 HIADLP CCCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OCC ZINC000554889093 942309303 /nfs/dbraw/zinc/30/93/03/942309303.db2.gz FZVPSNLSPAHGKH-QAPCUYQASA-N 2 2 413.400 4.409 20 0 HIADLP CCCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OCC ZINC000554889093 942309311 /nfs/dbraw/zinc/30/93/11/942309311.db2.gz FZVPSNLSPAHGKH-QAPCUYQASA-N 2 2 413.400 4.409 20 0 HIADLP CCCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OCC ZINC000554889093 942309323 /nfs/dbraw/zinc/30/93/23/942309323.db2.gz FZVPSNLSPAHGKH-QAPCUYQASA-N 2 2 413.400 4.409 20 0 HIADLP COCCCn1nccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000554918985 942319812 /nfs/dbraw/zinc/31/98/12/942319812.db2.gz JGVVVQQXGUFHEU-NQIIRXRSSA-N 2 2 424.511 4.111 20 0 HIADLP COCCCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000554918985 942319817 /nfs/dbraw/zinc/31/98/17/942319817.db2.gz JGVVVQQXGUFHEU-NQIIRXRSSA-N 2 2 424.511 4.111 20 0 HIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000555412750 942521500 /nfs/dbraw/zinc/52/15/00/942521500.db2.gz LQRZWRFRLMXOSU-JOCHJYFZSA-N 2 2 424.482 4.344 20 0 HIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000555412750 942521505 /nfs/dbraw/zinc/52/15/05/942521505.db2.gz LQRZWRFRLMXOSU-JOCHJYFZSA-N 2 2 424.482 4.344 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000558736947 943635896 /nfs/dbraw/zinc/63/58/96/943635896.db2.gz YIUHRAWDVGCABN-HXUWFJFHSA-N 2 2 403.929 4.308 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000558736947 943635901 /nfs/dbraw/zinc/63/59/01/943635901.db2.gz YIUHRAWDVGCABN-HXUWFJFHSA-N 2 2 403.929 4.308 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000558736941 943636145 /nfs/dbraw/zinc/63/61/45/943636145.db2.gz YIUHRAWDVGCABN-FQEVSTJZSA-N 2 2 403.929 4.308 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000558736941 943636147 /nfs/dbraw/zinc/63/61/47/943636147.db2.gz YIUHRAWDVGCABN-FQEVSTJZSA-N 2 2 403.929 4.308 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000559158181 943855172 /nfs/dbraw/zinc/85/51/72/943855172.db2.gz WCGNVZHJZYILMQ-SSKFGXFMSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000559158181 943855173 /nfs/dbraw/zinc/85/51/73/943855173.db2.gz WCGNVZHJZYILMQ-SSKFGXFMSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000559268203 943888013 /nfs/dbraw/zinc/88/80/13/943888013.db2.gz YSQQQNUGPSYSNA-IBGZPJMESA-N 2 2 413.993 4.492 20 0 HIADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000564302202 945506043 /nfs/dbraw/zinc/50/60/43/945506043.db2.gz PVRVVWXIVQAILH-UHFFFAOYSA-N 2 2 407.558 4.065 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000564399809 945554657 /nfs/dbraw/zinc/55/46/57/945554657.db2.gz VHIBDXHWNLQIQK-UHFFFAOYSA-N 2 2 408.889 4.264 20 0 HIADLP c1cc(-c2ncc(C[NH+]3CCN([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)s2)cs1 ZINC000564498204 945627743 /nfs/dbraw/zinc/62/77/43/945627743.db2.gz SKXDZRALVLNNSR-OAQYLSRUSA-N 2 2 424.639 4.264 20 0 HIADLP c1cc(-c2ncc(C[NH+]3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)s2)cs1 ZINC000564498204 945627750 /nfs/dbraw/zinc/62/77/50/945627750.db2.gz SKXDZRALVLNNSR-OAQYLSRUSA-N 2 2 424.639 4.264 20 0 HIADLP C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564743452 945745218 /nfs/dbraw/zinc/74/52/18/945745218.db2.gz RKNGDTQOUKHHIK-ICSRJNTNSA-N 2 2 421.006 4.004 20 0 HIADLP C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564743452 945745226 /nfs/dbraw/zinc/74/52/26/945745226.db2.gz RKNGDTQOUKHHIK-ICSRJNTNSA-N 2 2 421.006 4.004 20 0 HIADLP Fc1ccc(Cn2cc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cn2)cc1 ZINC000565332504 945813190 /nfs/dbraw/zinc/81/31/90/945813190.db2.gz RWJVRPBIQZZXTF-VWLOTQADSA-N 2 2 404.533 4.169 20 0 HIADLP Fc1ccc(Cn2cc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cn2)cc1 ZINC000565332504 945813191 /nfs/dbraw/zinc/81/31/91/945813191.db2.gz RWJVRPBIQZZXTF-VWLOTQADSA-N 2 2 404.533 4.169 20 0 HIADLP Fc1ccc(Cn2cc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cn2)cc1 ZINC000565332504 945813192 /nfs/dbraw/zinc/81/31/92/945813192.db2.gz RWJVRPBIQZZXTF-VWLOTQADSA-N 2 2 404.533 4.169 20 0 HIADLP Fc1ccc(Cn2cc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cn2)cc1 ZINC000565332504 945813193 /nfs/dbraw/zinc/81/31/93/945813193.db2.gz RWJVRPBIQZZXTF-VWLOTQADSA-N 2 2 404.533 4.169 20 0 HIADLP C[NH+](C)C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(Cl)cc1 ZINC000566750464 946086322 /nfs/dbraw/zinc/08/63/22/946086322.db2.gz RHTHLVYYLGOXEY-SFHVURJKSA-N 2 2 421.998 4.207 20 0 HIADLP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567189628 946264975 /nfs/dbraw/zinc/26/49/75/946264975.db2.gz MJLXKHZXCYAMFY-OYRHEFFESA-N 2 2 416.610 4.026 20 0 HIADLP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567189628 946264990 /nfs/dbraw/zinc/26/49/90/946264990.db2.gz MJLXKHZXCYAMFY-OYRHEFFESA-N 2 2 416.610 4.026 20 0 HIADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474077 946345808 /nfs/dbraw/zinc/34/58/08/946345808.db2.gz BJTLXQUTHPBQCD-CTNGQTDRSA-N 2 2 410.389 4.075 20 0 HIADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474077 946345821 /nfs/dbraw/zinc/34/58/21/946345821.db2.gz BJTLXQUTHPBQCD-CTNGQTDRSA-N 2 2 410.389 4.075 20 0 HIADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474077 946345844 /nfs/dbraw/zinc/34/58/44/946345844.db2.gz BJTLXQUTHPBQCD-CTNGQTDRSA-N 2 2 410.389 4.075 20 0 HIADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474077 946345856 /nfs/dbraw/zinc/34/58/56/946345856.db2.gz BJTLXQUTHPBQCD-CTNGQTDRSA-N 2 2 410.389 4.075 20 0 HIADLP COCCSc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570348872 947209776 /nfs/dbraw/zinc/20/97/76/947209776.db2.gz DQNHQHCWRNMQMP-NZQKXSOJSA-N 2 2 414.615 4.367 20 0 HIADLP COCCSc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570348872 947209797 /nfs/dbraw/zinc/20/97/97/947209797.db2.gz DQNHQHCWRNMQMP-NZQKXSOJSA-N 2 2 414.615 4.367 20 0 HIADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(Br)cncc2Br)CC1 ZINC000570766914 947353631 /nfs/dbraw/zinc/35/36/31/947353631.db2.gz AYTRZNXMWHEPJT-UHFFFAOYSA-N 2 2 419.205 4.159 20 0 HIADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(Br)cncc2Br)CC1 ZINC000570766914 947353646 /nfs/dbraw/zinc/35/36/46/947353646.db2.gz AYTRZNXMWHEPJT-UHFFFAOYSA-N 2 2 419.205 4.159 20 0 HIADLP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000572860107 948022624 /nfs/dbraw/zinc/02/26/24/948022624.db2.gz IGWSWHCPRMSQPP-VABKMULXSA-N 2 2 400.950 4.051 20 0 HIADLP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000572860107 948022633 /nfs/dbraw/zinc/02/26/33/948022633.db2.gz IGWSWHCPRMSQPP-VABKMULXSA-N 2 2 400.950 4.051 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)[nH+]c2)CC1 ZINC000574715839 948510808 /nfs/dbraw/zinc/51/08/08/948510808.db2.gz QIJVRPZBFSARRU-ULPXVVAUSA-N 3 2 419.617 4.220 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)[nH+]c2)CC1 ZINC000574715839 948510814 /nfs/dbraw/zinc/51/08/14/948510814.db2.gz QIJVRPZBFSARRU-ULPXVVAUSA-N 3 2 419.617 4.220 20 0 HIADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1Cl ZINC000574782625 948524771 /nfs/dbraw/zinc/52/47/71/948524771.db2.gz LBDBKCVGQJECNR-NRFANRHFSA-N 2 2 415.965 4.177 20 0 HIADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1Cl ZINC000574782625 948524775 /nfs/dbraw/zinc/52/47/75/948524775.db2.gz LBDBKCVGQJECNR-NRFANRHFSA-N 2 2 415.965 4.177 20 0 HIADLP COc1ccc2c(cc[nH+]c2N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164909387 721750016 /nfs/dbraw/zinc/75/00/16/721750016.db2.gz QRIQNEBGJZRJCH-UHFFFAOYSA-N 2 2 414.509 4.426 20 0 HIADLP COc1ccc2c(cc[nH+]c2N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164909387 721750018 /nfs/dbraw/zinc/75/00/18/721750018.db2.gz QRIQNEBGJZRJCH-UHFFFAOYSA-N 2 2 414.509 4.426 20 0 HIADLP CN(C(=O)C1CCC(C(F)(F)F)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436045923 861334239 /nfs/dbraw/zinc/33/42/39/861334239.db2.gz FTBDHTUSFFLMAA-OTGCGEFBSA-N 2 2 417.560 4.151 20 0 HIADLP CN(C(=O)C1CCC(C(F)(F)F)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436045923 861334244 /nfs/dbraw/zinc/33/42/44/861334244.db2.gz FTBDHTUSFFLMAA-OTGCGEFBSA-N 2 2 417.560 4.151 20 0 HIADLP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000436246912 861556131 /nfs/dbraw/zinc/55/61/31/861556131.db2.gz MTKPDKSMUMODMY-KDOFPFPSSA-N 2 2 400.876 4.265 20 0 HIADLP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000436246912 861556141 /nfs/dbraw/zinc/55/61/41/861556141.db2.gz MTKPDKSMUMODMY-KDOFPFPSSA-N 2 2 400.876 4.265 20 0 HIADLP COc1ccc([C@H](CNC(=O)C[N@H+](C)[C@@H](C)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000029703366 847603489 /nfs/dbraw/zinc/60/34/89/847603489.db2.gz BUJDNBVQYXFRBT-RXVVDRJESA-N 2 2 415.603 4.093 20 0 HIADLP COc1ccc([C@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000029703366 847603497 /nfs/dbraw/zinc/60/34/97/847603497.db2.gz BUJDNBVQYXFRBT-RXVVDRJESA-N 2 2 415.603 4.093 20 0 HIADLP O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517131 848434304 /nfs/dbraw/zinc/43/43/04/848434304.db2.gz OJPLLIPNNZAVHT-UHFFFAOYSA-N 2 2 413.591 4.047 20 0 HIADLP CCC(CC)[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051760640 849513785 /nfs/dbraw/zinc/51/37/85/849513785.db2.gz AZUOZNNMGCLEBI-HSZRJFAPSA-N 2 2 400.611 4.022 20 0 HIADLP Cc1ccc([C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)[NH+]2CCCC2)cc1 ZINC000061502430 851389751 /nfs/dbraw/zinc/38/97/51/851389751.db2.gz RGRKXCLJSMIGQY-ZEQRLZLVSA-N 2 2 423.626 4.038 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)O1 ZINC000064026427 851816903 /nfs/dbraw/zinc/81/69/03/851816903.db2.gz KZMUGNFGRYQJPV-BGYRXZFFSA-N 2 2 407.558 4.144 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)O1 ZINC000064026427 851816905 /nfs/dbraw/zinc/81/69/05/851816905.db2.gz KZMUGNFGRYQJPV-BGYRXZFFSA-N 2 2 407.558 4.144 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1C ZINC000064237822 851855240 /nfs/dbraw/zinc/85/52/40/851855240.db2.gz XRXIDWCEQKZBRM-UHFFFAOYSA-N 2 2 424.589 4.425 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccccc1Oc1ccccc1 ZINC000066007465 852354482 /nfs/dbraw/zinc/35/44/82/852354482.db2.gz BBGYYMXSHLCDGE-UHFFFAOYSA-N 2 2 412.603 4.134 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccccc1Oc1ccccc1 ZINC000066007465 852354494 /nfs/dbraw/zinc/35/44/94/852354494.db2.gz BBGYYMXSHLCDGE-UHFFFAOYSA-N 2 2 412.603 4.134 20 0 HIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000071960462 852447333 /nfs/dbraw/zinc/44/73/33/852447333.db2.gz IAWJXTBSPCUARP-SFTDATJTSA-N 2 2 416.569 4.339 20 0 HIADLP O=S(=O)(CC[NH+]1CCC[C@@H]1c1ccccc1)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000109316990 852951382 /nfs/dbraw/zinc/95/13/82/852951382.db2.gz IBFWCSCPAXGEAO-DNQXCXABSA-N 2 2 412.599 4.075 20 0 HIADLP O=S(=O)(CC[NH+]1CCC[C@@H]1c1ccccc1)CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000109316990 852951388 /nfs/dbraw/zinc/95/13/88/852951388.db2.gz IBFWCSCPAXGEAO-DNQXCXABSA-N 2 2 412.599 4.075 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000116156006 853287921 /nfs/dbraw/zinc/28/79/21/853287921.db2.gz NSEZZWVPMTWVFR-PQNGQFLHSA-N 2 2 421.585 4.147 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000116156006 853287928 /nfs/dbraw/zinc/28/79/28/853287928.db2.gz NSEZZWVPMTWVFR-PQNGQFLHSA-N 2 2 421.585 4.147 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H](C)O1 ZINC000139284978 853407520 /nfs/dbraw/zinc/40/75/20/853407520.db2.gz KZMUGNFGRYQJPV-PMACEKPBSA-N 2 2 407.558 4.144 20 0 HIADLP Brc1cccc(N2CC[C@H](C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000140602071 853448243 /nfs/dbraw/zinc/44/82/43/853448243.db2.gz CRHFQZHUZQGWCI-GOSISDBHSA-N 2 2 411.347 4.251 20 0 HIADLP COc1ccc(Cl)cc1C1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000165841357 853654303 /nfs/dbraw/zinc/65/43/03/853654303.db2.gz YWLIPFJHHMHLGH-UHFFFAOYSA-N 2 2 411.933 4.372 20 0 HIADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000195731872 853783034 /nfs/dbraw/zinc/78/30/34/853783034.db2.gz PNHAZNMEAFWHBX-QHCPKHFHSA-N 2 2 400.526 4.490 20 0 HIADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000195731872 853783038 /nfs/dbraw/zinc/78/30/38/853783038.db2.gz PNHAZNMEAFWHBX-QHCPKHFHSA-N 2 2 400.526 4.490 20 0 HIADLP Brc1cccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)o2)c1 ZINC000236667872 853909428 /nfs/dbraw/zinc/90/94/28/853909428.db2.gz MHWOSQJOCWTXKB-MRXNPFEDSA-N 2 2 419.363 4.300 20 0 HIADLP CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c21 ZINC000236776135 853921312 /nfs/dbraw/zinc/92/13/12/853921312.db2.gz DTNUDEKNSQWUQH-UHFFFAOYSA-N 2 2 404.514 4.460 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237127690 853968601 /nfs/dbraw/zinc/96/86/01/853968601.db2.gz OYPZAHDQZIWCJN-UTKZUKDTSA-N 2 2 415.965 4.492 20 0 HIADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1OCc1ccccc1 ZINC000237269093 853994422 /nfs/dbraw/zinc/99/44/22/853994422.db2.gz UCVPMLBOKOPMIH-UHFFFAOYSA-N 2 2 414.509 4.453 20 0 HIADLP COc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1OC(F)F ZINC000237358344 854013498 /nfs/dbraw/zinc/01/34/98/854013498.db2.gz PZCRXRJKJWWNSY-UHFFFAOYSA-N 2 2 405.489 4.121 20 0 HIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000237679592 854073926 /nfs/dbraw/zinc/07/39/26/854073926.db2.gz BGTJUMYXLUANQY-UHFFFAOYSA-N 2 2 420.948 4.381 20 0 HIADLP FC(F)(F)c1ccc(N2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)nc1 ZINC000237722538 854083580 /nfs/dbraw/zinc/08/35/80/854083580.db2.gz HFEPYIJYYZZYFX-UHFFFAOYSA-N 2 2 401.436 4.045 20 0 HIADLP Cc1nc2scc(CC(C)C)c2c(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000301130667 854306257 /nfs/dbraw/zinc/30/62/57/854306257.db2.gz YBSBFADKWAPIBW-UHFFFAOYSA-N 2 2 401.624 4.169 20 0 HIADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000303400169 854909257 /nfs/dbraw/zinc/90/92/57/854909257.db2.gz ZVPLGYOPTQVKED-INIZCTEOSA-N 2 2 412.405 4.321 20 0 HIADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000303641890 855097946 /nfs/dbraw/zinc/09/79/46/855097946.db2.gz BKKQTTSJDPYVAX-UHFFFAOYSA-N 2 2 408.933 4.168 20 0 HIADLP COc1ccc2c(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc2c1 ZINC000303768777 855186803 /nfs/dbraw/zinc/18/68/03/855186803.db2.gz QIULBCLMHVIYLU-GHTZIAJQSA-N 2 2 406.526 4.287 20 0 HIADLP COc1ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc2c1 ZINC000303768777 855186809 /nfs/dbraw/zinc/18/68/09/855186809.db2.gz QIULBCLMHVIYLU-GHTZIAJQSA-N 2 2 406.526 4.287 20 0 HIADLP COc1ccc2c(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc2c1 ZINC000303768777 855186814 /nfs/dbraw/zinc/18/68/14/855186814.db2.gz QIULBCLMHVIYLU-GHTZIAJQSA-N 2 2 406.526 4.287 20 0 HIADLP COc1ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc2c1 ZINC000303768777 855186820 /nfs/dbraw/zinc/18/68/20/855186820.db2.gz QIULBCLMHVIYLU-GHTZIAJQSA-N 2 2 406.526 4.287 20 0 HIADLP C[NH+]1CCC(CNC(=O)CCCOc2cccc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000303970633 855330730 /nfs/dbraw/zinc/33/07/30/855330730.db2.gz SJWMVQMXZKVZLS-UHFFFAOYSA-N 2 2 423.601 4.065 20 0 HIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC000387509925 855445534 /nfs/dbraw/zinc/44/55/34/855445534.db2.gz YQJJGQJGBUPRFB-SFTDATJTSA-N 2 2 401.595 4.467 20 0 HIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC000387509925 855445538 /nfs/dbraw/zinc/44/55/38/855445538.db2.gz YQJJGQJGBUPRFB-SFTDATJTSA-N 2 2 401.595 4.467 20 0 HIADLP CN(C(=O)CC1CC(c2ccccc2)C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409855109 855689957 /nfs/dbraw/zinc/68/99/57/855689957.db2.gz UVGMJQMRGUULMW-OWTPJTRKSA-N 2 2 411.634 4.366 20 0 HIADLP CN(C(=O)CC1CC(c2ccccc2)C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409855109 855689963 /nfs/dbraw/zinc/68/99/63/855689963.db2.gz UVGMJQMRGUULMW-OWTPJTRKSA-N 2 2 411.634 4.366 20 0 HIADLP O[C@]1(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000426035978 856062067 /nfs/dbraw/zinc/06/20/67/856062067.db2.gz LSEMMPKGQPGUEZ-DQEYMECFSA-N 2 2 421.972 4.245 20 0 HIADLP O[C@]1(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000426035978 856062077 /nfs/dbraw/zinc/06/20/77/856062077.db2.gz LSEMMPKGQPGUEZ-DQEYMECFSA-N 2 2 421.972 4.245 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426035743 856062507 /nfs/dbraw/zinc/06/25/07/856062507.db2.gz NOXDDVGXUNZJSB-QEFHDYNCSA-N 2 2 423.605 4.169 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426035743 856062513 /nfs/dbraw/zinc/06/25/13/856062513.db2.gz NOXDDVGXUNZJSB-QEFHDYNCSA-N 2 2 423.605 4.169 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000428559971 857266161 /nfs/dbraw/zinc/26/61/61/857266161.db2.gz QWJOZGBMZWZRHM-JOCHJYFZSA-N 2 2 411.594 4.013 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000428656424 857290682 /nfs/dbraw/zinc/29/06/82/857290682.db2.gz IGNOORYKTWMCOX-HXUWFJFHSA-N 2 2 418.541 4.496 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000428656424 857290690 /nfs/dbraw/zinc/29/06/90/857290690.db2.gz IGNOORYKTWMCOX-HXUWFJFHSA-N 2 2 418.541 4.496 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000428656423 857290816 /nfs/dbraw/zinc/29/08/16/857290816.db2.gz IGNOORYKTWMCOX-FQEVSTJZSA-N 2 2 418.541 4.496 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000428656423 857290820 /nfs/dbraw/zinc/29/08/20/857290820.db2.gz IGNOORYKTWMCOX-FQEVSTJZSA-N 2 2 418.541 4.496 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000429238389 857569098 /nfs/dbraw/zinc/56/90/98/857569098.db2.gz NJHBDCNGTAIBEY-UHFFFAOYSA-N 2 2 416.875 4.468 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000429238389 857569101 /nfs/dbraw/zinc/56/91/01/857569101.db2.gz NJHBDCNGTAIBEY-UHFFFAOYSA-N 2 2 416.875 4.468 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000429260445 857579729 /nfs/dbraw/zinc/57/97/29/857579729.db2.gz MZISHOHONOZDHQ-UHFFFAOYSA-N 2 2 407.440 4.427 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000429260445 857579732 /nfs/dbraw/zinc/57/97/32/857579732.db2.gz MZISHOHONOZDHQ-UHFFFAOYSA-N 2 2 407.440 4.427 20 0 HIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429436667 857667224 /nfs/dbraw/zinc/66/72/24/857667224.db2.gz WWZLPYCTIWBSEB-FYYLOGMGSA-N 2 2 423.601 4.408 20 0 HIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429436667 857667231 /nfs/dbraw/zinc/66/72/31/857667231.db2.gz WWZLPYCTIWBSEB-FYYLOGMGSA-N 2 2 423.601 4.408 20 0 HIADLP COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000430055610 858014066 /nfs/dbraw/zinc/01/40/66/858014066.db2.gz DOYJCFCAEDOOAJ-IBGZPJMESA-N 2 2 403.530 4.065 20 0 HIADLP COc1ccccc1-c1ncc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000430055610 858014072 /nfs/dbraw/zinc/01/40/72/858014072.db2.gz DOYJCFCAEDOOAJ-IBGZPJMESA-N 2 2 403.530 4.065 20 0 HIADLP CC[N@@H+](Cc1cnc(-c2ccccc2OC)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000430231030 858090028 /nfs/dbraw/zinc/09/00/28/858090028.db2.gz AYAXYXJWUNAOJZ-QFIPXVFZSA-N 2 2 416.569 4.496 20 0 HIADLP CC[N@H+](Cc1cnc(-c2ccccc2OC)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000430231030 858090035 /nfs/dbraw/zinc/09/00/35/858090035.db2.gz AYAXYXJWUNAOJZ-QFIPXVFZSA-N 2 2 416.569 4.496 20 0 HIADLP CC[NH+](Cc1cnc(-c2ccccc2OC)nc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000430231030 858090043 /nfs/dbraw/zinc/09/00/43/858090043.db2.gz AYAXYXJWUNAOJZ-QFIPXVFZSA-N 2 2 416.569 4.496 20 0 HIADLP CC[NH+](Cc1cnc(-c2ccccc2OC)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000430231030 858090051 /nfs/dbraw/zinc/09/00/51/858090051.db2.gz AYAXYXJWUNAOJZ-QFIPXVFZSA-N 2 2 416.569 4.496 20 0 HIADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000431396477 858593071 /nfs/dbraw/zinc/59/30/71/858593071.db2.gz NDXPKGVBLHTDNF-QAPCUYQASA-N 2 2 406.393 4.489 20 0 HIADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000431396477 858593079 /nfs/dbraw/zinc/59/30/79/858593079.db2.gz NDXPKGVBLHTDNF-QAPCUYQASA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000431396477 858593086 /nfs/dbraw/zinc/59/30/86/858593086.db2.gz NDXPKGVBLHTDNF-QAPCUYQASA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000431396477 858593091 /nfs/dbraw/zinc/59/30/91/858593091.db2.gz NDXPKGVBLHTDNF-QAPCUYQASA-N 2 2 406.393 4.489 20 0 HIADLP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000431910841 858866916 /nfs/dbraw/zinc/86/69/16/858866916.db2.gz WTAQUMOAWLIMRH-RTWAWAEBSA-N 2 2 414.619 4.014 20 0 HIADLP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000431910841 858866921 /nfs/dbraw/zinc/86/69/21/858866921.db2.gz WTAQUMOAWLIMRH-RTWAWAEBSA-N 2 2 414.619 4.014 20 0 HIADLP COc1cc(C[NH+](C)Cc2scnc2C)cc(C[N@H+](C)Cc2scnc2C)c1 ZINC000432829732 859376679 /nfs/dbraw/zinc/37/66/79/859376679.db2.gz BOIBKBFFQGXEJR-UHFFFAOYSA-N 2 2 416.616 4.489 20 0 HIADLP COc1cc(C[NH+](C)Cc2scnc2C)cc(C[N@@H+](C)Cc2scnc2C)c1 ZINC000432829732 859376687 /nfs/dbraw/zinc/37/66/87/859376687.db2.gz BOIBKBFFQGXEJR-UHFFFAOYSA-N 2 2 416.616 4.489 20 0 HIADLP O=c1[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccc(Cl)cc12 ZINC000433118100 859527829 /nfs/dbraw/zinc/52/78/29/859527829.db2.gz VZWAGVCODHVTHG-UHFFFAOYSA-N 2 2 422.960 4.477 20 0 HIADLP O=c1[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccc(Cl)cc12 ZINC000433118100 859527837 /nfs/dbraw/zinc/52/78/37/859527837.db2.gz VZWAGVCODHVTHG-UHFFFAOYSA-N 2 2 422.960 4.477 20 0 HIADLP C[C@H](CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[N@H+](C)Cc1ccccc1 ZINC000434407026 860336597 /nfs/dbraw/zinc/33/65/97/860336597.db2.gz YORXPELXGYZLRW-HXUWFJFHSA-N 2 2 423.605 4.019 20 0 HIADLP C[C@H](CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[N@@H+](C)Cc1ccccc1 ZINC000434407026 860336606 /nfs/dbraw/zinc/33/66/06/860336606.db2.gz YORXPELXGYZLRW-HXUWFJFHSA-N 2 2 423.605 4.019 20 0 HIADLP CCN(C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1nc2ccccc2s1 ZINC000434681052 860456930 /nfs/dbraw/zinc/45/69/30/860456930.db2.gz YUZLMCDSJQZYQN-UHFFFAOYSA-N 2 2 423.586 4.062 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686262 860460951 /nfs/dbraw/zinc/46/09/51/860460951.db2.gz SCGWEONYYOJHLV-QGZVFWFLSA-N 2 2 414.981 4.272 20 0 HIADLP Cc1ccc(F)c(N2CCC[C@H]([NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2=O)c1 ZINC000434689965 860463022 /nfs/dbraw/zinc/46/30/22/860463022.db2.gz YIOBLKZKWQKWLO-NRFANRHFSA-N 2 2 410.537 4.042 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434982225 860585199 /nfs/dbraw/zinc/58/51/99/860585199.db2.gz KKSKGCPQGAFSQH-QGZVFWFLSA-N 2 2 421.570 4.304 20 0 HIADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000435582609 860897400 /nfs/dbraw/zinc/89/74/00/860897400.db2.gz FKGYVOSXHBLITB-UHFFFAOYSA-N 2 2 417.557 4.228 20 0 HIADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000435582609 860897402 /nfs/dbraw/zinc/89/74/02/860897402.db2.gz FKGYVOSXHBLITB-UHFFFAOYSA-N 2 2 417.557 4.228 20 0 HIADLP CCCn1ccc2cc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)ccc21 ZINC000438013172 863373226 /nfs/dbraw/zinc/37/32/26/863373226.db2.gz OLZLHCMUUFAGAE-UHFFFAOYSA-N 2 2 411.594 4.123 20 0 HIADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)CC1 ZINC000438091441 863496245 /nfs/dbraw/zinc/49/62/45/863496245.db2.gz BACYWTFQKLNXPN-UHFFFAOYSA-N 2 2 403.920 4.349 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000438132996 863552947 /nfs/dbraw/zinc/55/29/47/863552947.db2.gz SUHSWVCSHRCBGH-UHFFFAOYSA-N 2 2 422.617 4.352 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000438132996 863552966 /nfs/dbraw/zinc/55/29/66/863552966.db2.gz SUHSWVCSHRCBGH-UHFFFAOYSA-N 2 2 422.617 4.352 20 0 HIADLP C[NH+](C)CCOc1ccccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000438230997 863673072 /nfs/dbraw/zinc/67/30/72/863673072.db2.gz VNUPYKGVEAZEAI-FQEVSTJZSA-N 2 2 410.493 4.153 20 0 HIADLP C[NH+](C)CCOc1ccccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000438230997 863673100 /nfs/dbraw/zinc/67/31/00/863673100.db2.gz VNUPYKGVEAZEAI-FQEVSTJZSA-N 2 2 410.493 4.153 20 0 HIADLP C[N@H+](CCc1cccc(OC(F)(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000438336711 863811041 /nfs/dbraw/zinc/81/10/41/863811041.db2.gz VOYXBCAUMVQWOW-UHFFFAOYSA-N 2 2 407.480 4.162 20 0 HIADLP C[N@@H+](CCc1cccc(OC(F)(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000438336711 863811043 /nfs/dbraw/zinc/81/10/43/863811043.db2.gz VOYXBCAUMVQWOW-UHFFFAOYSA-N 2 2 407.480 4.162 20 0 HIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)[C@H]1c1cccs1 ZINC000439603230 864926555 /nfs/dbraw/zinc/92/65/55/864926555.db2.gz KGXJWQMYDXFHLI-MZYLBHOOSA-N 2 2 411.615 4.474 20 0 HIADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)[C@H]1c1cccs1 ZINC000439603230 864926557 /nfs/dbraw/zinc/92/65/57/864926557.db2.gz KGXJWQMYDXFHLI-MZYLBHOOSA-N 2 2 411.615 4.474 20 0 HIADLP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000439998255 865304079 /nfs/dbraw/zinc/30/40/79/865304079.db2.gz KSFJLJSEXOEDJF-QGZVFWFLSA-N 2 2 423.388 4.123 20 0 HIADLP C[C@H](OC[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000440455191 865759561 /nfs/dbraw/zinc/75/95/61/865759561.db2.gz WDNBIHBHZWBBMP-YADARESESA-N 2 2 416.993 4.375 20 0 HIADLP C[C@H](OC[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000440455191 865759580 /nfs/dbraw/zinc/75/95/80/865759580.db2.gz WDNBIHBHZWBBMP-YADARESESA-N 2 2 416.993 4.375 20 0 HIADLP C[N@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440462494 865766162 /nfs/dbraw/zinc/76/61/62/865766162.db2.gz WETXWGPHWZQOET-AZGAKELHSA-N 2 2 408.586 4.038 20 0 HIADLP C[N@@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440462494 865766172 /nfs/dbraw/zinc/76/61/72/865766172.db2.gz WETXWGPHWZQOET-AZGAKELHSA-N 2 2 408.586 4.038 20 0 HIADLP CCN(C(=O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)c1ccccc1 ZINC000440704018 865870350 /nfs/dbraw/zinc/87/03/50/865870350.db2.gz TYKVDZQTJVJTPL-UHFFFAOYSA-N 2 2 423.605 4.252 20 0 HIADLP CCN(C(=O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)c1ccccc1 ZINC000440704018 865870351 /nfs/dbraw/zinc/87/03/51/865870351.db2.gz TYKVDZQTJVJTPL-UHFFFAOYSA-N 2 2 423.605 4.252 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000440809852 865927696 /nfs/dbraw/zinc/92/76/96/865927696.db2.gz BFWWGZLJVRXMCU-QHCPKHFHSA-N 2 2 411.594 4.053 20 0 HIADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441376430 866444312 /nfs/dbraw/zinc/44/43/12/866444312.db2.gz KEOARWROEWVGAM-WZONZLPQSA-N 2 2 404.514 4.061 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c(C)c1 ZINC000441381493 866452192 /nfs/dbraw/zinc/45/21/92/866452192.db2.gz ISWHFNLFFQQLNH-CVDCTZTESA-N 2 2 408.521 4.017 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441382405 866454069 /nfs/dbraw/zinc/45/40/69/866454069.db2.gz UDPJDRQHUFOJKO-DENIHFKCSA-N 2 2 406.530 4.175 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N[C@H](C)c2ccccc2C)c(C)c1 ZINC000441382092 866454252 /nfs/dbraw/zinc/45/42/52/866454252.db2.gz NBMYYVNIGLBBFT-LGVFNWMJSA-N 2 2 404.558 4.405 20 0 HIADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441407347 866482154 /nfs/dbraw/zinc/48/21/54/866482154.db2.gz GWXWOJMHZALYJD-OXQOHEQNSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441407347 866482155 /nfs/dbraw/zinc/48/21/55/866482155.db2.gz GWXWOJMHZALYJD-OXQOHEQNSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1cc2cccnc2c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441407347 866482156 /nfs/dbraw/zinc/48/21/56/866482156.db2.gz GWXWOJMHZALYJD-OXQOHEQNSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1cc2cccnc2c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441407347 866482157 /nfs/dbraw/zinc/48/21/57/866482157.db2.gz GWXWOJMHZALYJD-OXQOHEQNSA-N 2 2 400.364 4.446 20 0 HIADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441504653 866585629 /nfs/dbraw/zinc/58/56/29/866585629.db2.gz FLUKXQIKQQKAQL-XMMPIXPASA-N 2 2 419.573 4.192 20 0 HIADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441504653 866585641 /nfs/dbraw/zinc/58/56/41/866585641.db2.gz FLUKXQIKQQKAQL-XMMPIXPASA-N 2 2 419.573 4.192 20 0 HIADLP CC[N@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616945 866715836 /nfs/dbraw/zinc/71/58/36/866715836.db2.gz CCBLVSCTUZVSRW-UKILVPOCSA-N 2 2 423.601 4.075 20 0 HIADLP CC[N@@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616945 866715846 /nfs/dbraw/zinc/71/58/46/866715846.db2.gz CCBLVSCTUZVSRW-UKILVPOCSA-N 2 2 423.601 4.075 20 0 HIADLP Brc1ccc(-c2nccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000441904481 866969230 /nfs/dbraw/zinc/96/92/30/866969230.db2.gz XPCJUQQRHXZLGN-HXUWFJFHSA-N 2 2 415.379 4.356 20 0 HIADLP Brc1ccc(-c2nccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000441904481 866969243 /nfs/dbraw/zinc/96/92/43/866969243.db2.gz XPCJUQQRHXZLGN-HXUWFJFHSA-N 2 2 415.379 4.356 20 0 HIADLP CC(C)[NH+]1CCc2nc(C[N@H+](C[C@@H](C)O)[C@H](C)Cc3ccc(Cl)cc3)sc2C1 ZINC000442964888 867767164 /nfs/dbraw/zinc/76/71/64/867767164.db2.gz JMPQEPMEJUJNAE-IAGOWNOFSA-N 2 2 422.038 4.377 20 0 HIADLP CC(C)[N@H+]1CCc2nc(C[NH+](C[C@@H](C)O)[C@H](C)Cc3ccc(Cl)cc3)sc2C1 ZINC000442964888 867767184 /nfs/dbraw/zinc/76/71/84/867767184.db2.gz JMPQEPMEJUJNAE-IAGOWNOFSA-N 2 2 422.038 4.377 20 0 HIADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C[C@@H](C)O)[C@H](C)Cc3ccc(Cl)cc3)sc2C1 ZINC000442964888 867767204 /nfs/dbraw/zinc/76/72/04/867767204.db2.gz JMPQEPMEJUJNAE-IAGOWNOFSA-N 2 2 422.038 4.377 20 0 HIADLP CC(C)[NH+]1CCc2nc(C[N@H+](C[C@@H](C)O)[C@@H](C)Cc3ccc(Cl)cc3)sc2C1 ZINC000442964887 867767714 /nfs/dbraw/zinc/76/77/14/867767714.db2.gz JMPQEPMEJUJNAE-DLBZAZTESA-N 2 2 422.038 4.377 20 0 HIADLP CC(C)[N@H+]1CCc2nc(C[NH+](C[C@@H](C)O)[C@@H](C)Cc3ccc(Cl)cc3)sc2C1 ZINC000442964887 867767725 /nfs/dbraw/zinc/76/77/25/867767725.db2.gz JMPQEPMEJUJNAE-DLBZAZTESA-N 2 2 422.038 4.377 20 0 HIADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C[C@@H](C)O)[C@@H](C)Cc3ccc(Cl)cc3)sc2C1 ZINC000442964887 867767730 /nfs/dbraw/zinc/76/77/30/867767730.db2.gz JMPQEPMEJUJNAE-DLBZAZTESA-N 2 2 422.038 4.377 20 0 HIADLP O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000443007573 867791618 /nfs/dbraw/zinc/79/16/18/867791618.db2.gz AGDBEUMFEAOFET-JOCHJYFZSA-N 2 2 402.523 4.273 20 0 HIADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000443598691 868155947 /nfs/dbraw/zinc/15/59/47/868155947.db2.gz ADWBARMHKGHTPX-HXUWFJFHSA-N 2 2 407.562 4.234 20 0 HIADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000443598691 868155956 /nfs/dbraw/zinc/15/59/56/868155956.db2.gz ADWBARMHKGHTPX-HXUWFJFHSA-N 2 2 407.562 4.234 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444216266 868670502 /nfs/dbraw/zinc/67/05/02/868670502.db2.gz UKINJFIUQMFHAG-VXKWHMMOSA-N 2 2 405.586 4.089 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444216266 868670513 /nfs/dbraw/zinc/67/05/13/868670513.db2.gz UKINJFIUQMFHAG-VXKWHMMOSA-N 2 2 405.586 4.089 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000445019772 869170055 /nfs/dbraw/zinc/17/00/55/869170055.db2.gz NFPRDZUAHVALRC-QFIPXVFZSA-N 2 2 419.013 4.135 20 0 HIADLP CC(C)C[C@H](CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000445214283 869279102 /nfs/dbraw/zinc/27/91/02/869279102.db2.gz MMKJPSVRBQQUEY-BAGYTPMASA-N 2 2 411.594 4.075 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCc3cc(Cl)sc3Cl)CC2)CC1 ZINC000446132926 870077962 /nfs/dbraw/zinc/07/79/62/870077962.db2.gz YQQSBVCSYNJMDB-UHFFFAOYSA-N 2 2 418.434 4.052 20 0 HIADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000447563923 871458176 /nfs/dbraw/zinc/45/81/76/871458176.db2.gz SXKABYWMWTUCKW-LJQANCHMSA-N 2 2 407.514 4.219 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1)C1CC1 ZINC000447690015 871624333 /nfs/dbraw/zinc/62/43/33/871624333.db2.gz VRUFEVOMXIUFTP-UHFFFAOYSA-N 2 2 406.574 4.224 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1)C1CC1 ZINC000447690015 871624346 /nfs/dbraw/zinc/62/43/46/871624346.db2.gz VRUFEVOMXIUFTP-UHFFFAOYSA-N 2 2 406.574 4.224 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1Br ZINC000447937968 871819110 /nfs/dbraw/zinc/81/91/10/871819110.db2.gz YOAWXGYLGMNZGW-HNNXBMFYSA-N 2 2 405.384 4.155 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1Br ZINC000447937968 871819116 /nfs/dbraw/zinc/81/91/16/871819116.db2.gz YOAWXGYLGMNZGW-HNNXBMFYSA-N 2 2 405.384 4.155 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460362693 872992659 /nfs/dbraw/zinc/99/26/59/872992659.db2.gz ZDCAMMSHNSPRKT-DTVZVWBHSA-N 2 2 415.965 4.033 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460362693 872992668 /nfs/dbraw/zinc/99/26/68/872992668.db2.gz ZDCAMMSHNSPRKT-DTVZVWBHSA-N 2 2 415.965 4.033 20 0 HIADLP CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460487506 873174363 /nfs/dbraw/zinc/17/43/63/873174363.db2.gz GMBUOYYTAMIARX-JOCHJYFZSA-N 2 2 415.622 4.034 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2sccc2Br)C[C@@H](C)O1 ZINC000462537394 875657371 /nfs/dbraw/zinc/65/73/71/875657371.db2.gz VSNDFYYXVNKYBA-HUUCEWRRSA-N 2 2 409.393 4.410 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000462785956 875840016 /nfs/dbraw/zinc/84/00/16/875840016.db2.gz UANJINSTSSFHOB-QFIPXVFZSA-N 2 2 415.965 4.026 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000462900586 875926848 /nfs/dbraw/zinc/92/68/48/875926848.db2.gz CBNBVTOSPVMKAV-VQTJNVASSA-N 2 2 412.496 4.349 20 0 HIADLP FC(F)(F)C1CCN(C2CC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000463238856 876295570 /nfs/dbraw/zinc/29/55/70/876295570.db2.gz UFAXIQARWROXQR-UHFFFAOYSA-N 2 2 409.540 4.088 20 0 HIADLP CCN1CCO[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262190 876319458 /nfs/dbraw/zinc/31/94/58/876319458.db2.gz YQMSNXPJFGMKDH-PZYJALBSSA-N 2 2 407.602 4.091 20 0 HIADLP CCN1CCO[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262190 876319479 /nfs/dbraw/zinc/31/94/79/876319479.db2.gz YQMSNXPJFGMKDH-PZYJALBSSA-N 2 2 407.602 4.091 20 0 HIADLP CC[N@@H+]1CCO[C@@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262190 876319497 /nfs/dbraw/zinc/31/94/97/876319497.db2.gz YQMSNXPJFGMKDH-PZYJALBSSA-N 2 2 407.602 4.091 20 0 HIADLP CC[N@H+]1CCO[C@@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262190 876319511 /nfs/dbraw/zinc/31/95/11/876319511.db2.gz YQMSNXPJFGMKDH-PZYJALBSSA-N 2 2 407.602 4.091 20 0 HIADLP CC[NH+]1CCO[C@@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262190 876319533 /nfs/dbraw/zinc/31/95/33/876319533.db2.gz YQMSNXPJFGMKDH-PZYJALBSSA-N 2 2 407.602 4.091 20 0 HIADLP CC[NH+]1CCO[C@@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262190 876319550 /nfs/dbraw/zinc/31/95/50/876319550.db2.gz YQMSNXPJFGMKDH-PZYJALBSSA-N 2 2 407.602 4.091 20 0 HIADLP CCN1CCO[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262194 876319751 /nfs/dbraw/zinc/31/97/51/876319751.db2.gz YQMSNXPJFGMKDH-QUKDMSEQSA-N 2 2 407.602 4.091 20 0 HIADLP CCN1CCO[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262194 876319764 /nfs/dbraw/zinc/31/97/64/876319764.db2.gz YQMSNXPJFGMKDH-QUKDMSEQSA-N 2 2 407.602 4.091 20 0 HIADLP CC[N@@H+]1CCO[C@@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262194 876319780 /nfs/dbraw/zinc/31/97/80/876319780.db2.gz YQMSNXPJFGMKDH-QUKDMSEQSA-N 2 2 407.602 4.091 20 0 HIADLP CC[N@H+]1CCO[C@@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262194 876319801 /nfs/dbraw/zinc/31/98/01/876319801.db2.gz YQMSNXPJFGMKDH-QUKDMSEQSA-N 2 2 407.602 4.091 20 0 HIADLP CC[NH+]1CCO[C@@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262194 876319821 /nfs/dbraw/zinc/31/98/21/876319821.db2.gz YQMSNXPJFGMKDH-QUKDMSEQSA-N 2 2 407.602 4.091 20 0 HIADLP CC[NH+]1CCO[C@@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262194 876319837 /nfs/dbraw/zinc/31/98/37/876319837.db2.gz YQMSNXPJFGMKDH-QUKDMSEQSA-N 2 2 407.602 4.091 20 0 HIADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(Br)cc(Br)c2N)CC1 ZINC000463285780 876344611 /nfs/dbraw/zinc/34/46/11/876344611.db2.gz UADNPPKAXRCFJA-UHFFFAOYSA-N 2 2 419.205 4.100 20 0 HIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)cc(Br)c2N)CC1 ZINC000463285780 876344624 /nfs/dbraw/zinc/34/46/24/876344624.db2.gz UADNPPKAXRCFJA-UHFFFAOYSA-N 2 2 419.205 4.100 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cccc(F)c1 ZINC000463699928 876819377 /nfs/dbraw/zinc/81/93/77/876819377.db2.gz RVUXSHNEWYUVIR-QFIPXVFZSA-N 2 2 421.520 4.450 20 0 HIADLP CC[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805433 878049703 /nfs/dbraw/zinc/04/97/03/878049703.db2.gz LJBHUAUUIQVBNC-UHFFFAOYSA-N 2 2 401.938 4.245 20 0 HIADLP CC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805433 878049722 /nfs/dbraw/zinc/04/97/22/878049722.db2.gz LJBHUAUUIQVBNC-UHFFFAOYSA-N 2 2 401.938 4.245 20 0 HIADLP CCC[C@@H](NC(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000464807602 878053665 /nfs/dbraw/zinc/05/36/65/878053665.db2.gz UXJWVQVQWFRYNH-HSZRJFAPSA-N 2 2 408.590 4.278 20 0 HIADLP CCC[C@@H](NC(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000464807602 878053677 /nfs/dbraw/zinc/05/36/77/878053677.db2.gz UXJWVQVQWFRYNH-HSZRJFAPSA-N 2 2 408.590 4.278 20 0 HIADLP CCc1ccc([C@H](C)NC(=O)C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464808201 878057401 /nfs/dbraw/zinc/05/74/01/878057401.db2.gz JXGKZWYMVRQBJO-FQEVSTJZSA-N 2 2 408.590 4.060 20 0 HIADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464808201 878057419 /nfs/dbraw/zinc/05/74/19/878057419.db2.gz JXGKZWYMVRQBJO-FQEVSTJZSA-N 2 2 408.590 4.060 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464838506 878102802 /nfs/dbraw/zinc/10/28/02/878102802.db2.gz NKELHTVWLIYQCO-RDGATRHJSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464838506 878102808 /nfs/dbraw/zinc/10/28/08/878102808.db2.gz NKELHTVWLIYQCO-RDGATRHJSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464838506 878102817 /nfs/dbraw/zinc/10/28/17/878102817.db2.gz NKELHTVWLIYQCO-RDGATRHJSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464838506 878102822 /nfs/dbraw/zinc/10/28/22/878102822.db2.gz NKELHTVWLIYQCO-RDGATRHJSA-N 2 2 419.613 4.268 20 0 HIADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000464876254 878166274 /nfs/dbraw/zinc/16/62/74/878166274.db2.gz NSENNERILATNJP-HSZRJFAPSA-N 2 2 417.956 4.101 20 0 HIADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000464876254 878166296 /nfs/dbraw/zinc/16/62/96/878166296.db2.gz NSENNERILATNJP-HSZRJFAPSA-N 2 2 417.956 4.101 20 0 HIADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccc(Cl)cc1F ZINC000503370930 912350603 /nfs/dbraw/zinc/35/06/03/912350603.db2.gz SGTYWUWBZAOEMD-HNNXBMFYSA-N 2 2 404.917 4.220 20 0 HIADLP O=C(CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccc(Cl)cc1F ZINC000503370930 912350626 /nfs/dbraw/zinc/35/06/26/912350626.db2.gz SGTYWUWBZAOEMD-HNNXBMFYSA-N 2 2 404.917 4.220 20 0 HIADLP Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)nc(N)c2c1C ZINC000503389902 912374302 /nfs/dbraw/zinc/37/43/02/912374302.db2.gz INDLNPNYBIJIEB-GOEBONIOSA-N 2 2 410.591 4.364 20 0 HIADLP Cc1sc2nc([C@H](C)[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)nc(N)c2c1C ZINC000503389902 912374322 /nfs/dbraw/zinc/37/43/22/912374322.db2.gz INDLNPNYBIJIEB-GOEBONIOSA-N 2 2 410.591 4.364 20 0 HIADLP O=C([C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCCCC1 ZINC000503407981 912389026 /nfs/dbraw/zinc/38/90/26/912389026.db2.gz GUTGYMQDZDDFBU-FYYLOGMGSA-N 2 2 406.574 4.153 20 0 HIADLP O=C([C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCCCC1 ZINC000503407981 912389048 /nfs/dbraw/zinc/38/90/48/912389048.db2.gz GUTGYMQDZDDFBU-FYYLOGMGSA-N 2 2 406.574 4.153 20 0 HIADLP O[C@@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503409302 912391633 /nfs/dbraw/zinc/39/16/33/912391633.db2.gz JOXVAMQUXGRDNZ-HKUYNNGSSA-N 2 2 407.480 4.021 20 0 HIADLP O[C@@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503409302 912391658 /nfs/dbraw/zinc/39/16/58/912391658.db2.gz JOXVAMQUXGRDNZ-HKUYNNGSSA-N 2 2 407.480 4.021 20 0 HIADLP O=C(c1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1)N1CCCCC1 ZINC000503411210 912393294 /nfs/dbraw/zinc/39/32/94/912393294.db2.gz ZZFJAERPCDLGMF-QFIPXVFZSA-N 2 2 406.574 4.225 20 0 HIADLP O=C(c1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1)N1CCCCC1 ZINC000503411210 912393313 /nfs/dbraw/zinc/39/33/13/912393313.db2.gz ZZFJAERPCDLGMF-QFIPXVFZSA-N 2 2 406.574 4.225 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000465474456 878912304 /nfs/dbraw/zinc/91/23/04/878912304.db2.gz ZOUYYWDEFCDMNC-HXOBKFHXSA-N 2 2 406.505 4.162 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000465474456 878912307 /nfs/dbraw/zinc/91/23/07/878912307.db2.gz ZOUYYWDEFCDMNC-HXOBKFHXSA-N 2 2 406.505 4.162 20 0 HIADLP O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503416601 912403545 /nfs/dbraw/zinc/40/35/45/912403545.db2.gz RKTWALIPNSWAMA-QAPCUYQASA-N 2 2 424.372 4.146 20 0 HIADLP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503416601 912403583 /nfs/dbraw/zinc/40/35/83/912403583.db2.gz RKTWALIPNSWAMA-QAPCUYQASA-N 2 2 424.372 4.146 20 0 HIADLP Cc1c2ccccc2oc1[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465664772 879196803 /nfs/dbraw/zinc/19/68/03/879196803.db2.gz UVVTYKKXNLZSCM-IBGZPJMESA-N 2 2 412.578 4.052 20 0 HIADLP Cc1ccccc1[C@H](CC(C)C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465914372 879576569 /nfs/dbraw/zinc/57/65/69/879576569.db2.gz AZZPRFQQMCLQAT-QHCPKHFHSA-N 2 2 414.638 4.332 20 0 HIADLP Cc1ccc([C@H]2CCCCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000466153199 879858339 /nfs/dbraw/zinc/85/83/39/879858339.db2.gz IFPMVZXYFAJIFJ-OAQYLSRUSA-N 2 2 416.610 4.165 20 0 HIADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000467161139 880893353 /nfs/dbraw/zinc/89/33/53/880893353.db2.gz GUHNXAVSQBIEMQ-OAHLLOKOSA-N 2 2 416.393 4.143 20 0 HIADLP CC(C)[NH+]1CCC(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC000469193824 883292520 /nfs/dbraw/zinc/29/25/20/883292520.db2.gz YJWNWWZTLPWLCN-UHFFFAOYSA-N 2 2 420.960 4.215 20 0 HIADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000469626186 883839437 /nfs/dbraw/zinc/83/94/37/883839437.db2.gz WESQGORQGDWUJD-HNNXBMFYSA-N 2 2 409.361 4.117 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCCC1)c1ccccc1 ZINC000469765193 883934322 /nfs/dbraw/zinc/93/43/22/883934322.db2.gz SBZLHZTYAWDYLK-ONTIZHBOSA-N 2 2 409.578 4.139 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000469866352 884055303 /nfs/dbraw/zinc/05/53/03/884055303.db2.gz PPTRAYVGHNNLOI-DUXKGJEZSA-N 2 2 417.985 4.212 20 0 HIADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000471122224 885658590 /nfs/dbraw/zinc/65/85/90/885658590.db2.gz WRMOEFFPHKLGPS-BVZFJXPGSA-N 2 2 416.569 4.034 20 0 HIADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000471122224 885658605 /nfs/dbraw/zinc/65/86/05/885658605.db2.gz WRMOEFFPHKLGPS-BVZFJXPGSA-N 2 2 416.569 4.034 20 0 HIADLP O=C1[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCN1c1ccccc1C(F)(F)F ZINC000471859542 886633386 /nfs/dbraw/zinc/63/33/86/886633386.db2.gz VZADUGZYYMHPDP-HXUWFJFHSA-N 2 2 417.475 4.065 20 0 HIADLP Cc1cc2occ(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2cc1C ZINC000472002085 886827694 /nfs/dbraw/zinc/82/76/94/886827694.db2.gz KONQWAZNOMPWPE-XZOQPEGZSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1cc2occ(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2cc1C ZINC000472002085 886827695 /nfs/dbraw/zinc/82/76/95/886827695.db2.gz KONQWAZNOMPWPE-XZOQPEGZSA-N 2 2 411.590 4.459 20 0 HIADLP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)c2)CC1 ZINC000504199061 913081020 /nfs/dbraw/zinc/08/10/20/913081020.db2.gz IPBBVWVWWRPNDA-QFIPXVFZSA-N 2 2 414.981 4.112 20 0 HIADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000473045405 887867941 /nfs/dbraw/zinc/86/79/41/887867941.db2.gz WZJQXSGCCYYRFM-DNVCBOLYSA-N 2 2 414.431 4.347 20 0 HIADLP COc1ccc2nc(C[NH2+]Cc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)sc2c1 ZINC000474368048 889245631 /nfs/dbraw/zinc/24/56/31/889245631.db2.gz IZXDOVQQMOURTJ-CALCHBBNSA-N 2 2 411.571 4.204 20 0 HIADLP COc1ccc2nc(C[NH2+]Cc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)sc2c1 ZINC000474368048 889245640 /nfs/dbraw/zinc/24/56/40/889245640.db2.gz IZXDOVQQMOURTJ-CALCHBBNSA-N 2 2 411.571 4.204 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000474482756 889343365 /nfs/dbraw/zinc/34/33/65/889343365.db2.gz OSQWIGKZKNFKMW-UHFFFAOYSA-N 2 2 420.370 4.016 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C2 ZINC000474896433 889755880 /nfs/dbraw/zinc/75/58/80/889755880.db2.gz QJJWFRFWNUJGAP-OALUTQOASA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C2 ZINC000474896433 889755893 /nfs/dbraw/zinc/75/58/93/889755893.db2.gz QJJWFRFWNUJGAP-OALUTQOASA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000474896433 889755904 /nfs/dbraw/zinc/75/59/04/889755904.db2.gz QJJWFRFWNUJGAP-OALUTQOASA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)CC2 ZINC000474896433 889755916 /nfs/dbraw/zinc/75/59/16/889755916.db2.gz QJJWFRFWNUJGAP-OALUTQOASA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[N@@H+]3CCCC[C@H]3C)cc1)C2 ZINC000474899457 889758564 /nfs/dbraw/zinc/75/85/64/889758564.db2.gz MUUDUJKJWGIPCG-WIYYLYMNSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[N@H+]3CCCC[C@H]3C)cc1)C2 ZINC000474899457 889758571 /nfs/dbraw/zinc/75/85/71/889758571.db2.gz MUUDUJKJWGIPCG-WIYYLYMNSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[N@@H+]3CCCC[C@H]3C)cc1)CC2 ZINC000474899457 889758585 /nfs/dbraw/zinc/75/85/85/889758585.db2.gz MUUDUJKJWGIPCG-WIYYLYMNSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[N@H+]3CCCC[C@H]3C)cc1)CC2 ZINC000474899457 889758597 /nfs/dbraw/zinc/75/85/97/889758597.db2.gz MUUDUJKJWGIPCG-WIYYLYMNSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000474909505 889770389 /nfs/dbraw/zinc/77/03/89/889770389.db2.gz IPWSBAIFUQAJGQ-MOPGFXCFSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C2 ZINC000474909505 889770397 /nfs/dbraw/zinc/77/03/97/889770397.db2.gz IPWSBAIFUQAJGQ-MOPGFXCFSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000474909505 889770406 /nfs/dbraw/zinc/77/04/06/889770406.db2.gz IPWSBAIFUQAJGQ-MOPGFXCFSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000474909505 889770417 /nfs/dbraw/zinc/77/04/17/889770417.db2.gz IPWSBAIFUQAJGQ-MOPGFXCFSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)[N@@H+]1CCc2nc(CN(C)C[C@@H]3C[C@H](F)C[NH+]3Cc3cccs3)sc2C1 ZINC000475091226 889937774 /nfs/dbraw/zinc/93/77/74/889937774.db2.gz YBYJYMKAFCHQOW-IRXDYDNUSA-N 2 2 422.639 4.016 20 0 HIADLP CC(C)[N@H+]1CCc2nc(CN(C)C[C@@H]3C[C@H](F)C[NH+]3Cc3cccs3)sc2C1 ZINC000475091226 889937782 /nfs/dbraw/zinc/93/77/82/889937782.db2.gz YBYJYMKAFCHQOW-IRXDYDNUSA-N 2 2 422.639 4.016 20 0 HIADLP CC(C)[NH+]1CCc2nc(CN(C)C[C@@H]3C[C@H](F)C[N@@H+]3Cc3cccs3)sc2C1 ZINC000475091226 889937791 /nfs/dbraw/zinc/93/77/91/889937791.db2.gz YBYJYMKAFCHQOW-IRXDYDNUSA-N 2 2 422.639 4.016 20 0 HIADLP CC(C)[NH+]1CCc2nc(CN(C)C[C@@H]3C[C@H](F)C[N@H+]3Cc3cccs3)sc2C1 ZINC000475091226 889937800 /nfs/dbraw/zinc/93/78/00/889937800.db2.gz YBYJYMKAFCHQOW-IRXDYDNUSA-N 2 2 422.639 4.016 20 0 HIADLP COc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1NC(C)=O ZINC000475329939 890250122 /nfs/dbraw/zinc/25/01/22/890250122.db2.gz DBLCPIIWZUZCJU-NLNFPOJYSA-N 2 2 413.484 4.110 20 0 HIADLP FC(F)(F)Oc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Br ZINC000475569525 890499163 /nfs/dbraw/zinc/49/91/63/890499163.db2.gz ALBFMCCVPUTIDW-UHFFFAOYSA-N 2 2 407.274 4.454 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479501445 894818099 /nfs/dbraw/zinc/81/80/99/894818099.db2.gz KTAFPUZJUQDQLU-SQIAZXFVSA-N 2 2 409.540 4.292 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479501445 894818106 /nfs/dbraw/zinc/81/81/06/894818106.db2.gz KTAFPUZJUQDQLU-SQIAZXFVSA-N 2 2 409.540 4.292 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000479501445 894818110 /nfs/dbraw/zinc/81/81/10/894818110.db2.gz KTAFPUZJUQDQLU-SQIAZXFVSA-N 2 2 409.540 4.292 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000479501445 894818112 /nfs/dbraw/zinc/81/81/12/894818112.db2.gz KTAFPUZJUQDQLU-SQIAZXFVSA-N 2 2 409.540 4.292 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000479848534 895179115 /nfs/dbraw/zinc/17/91/15/895179115.db2.gz FSPCAPAQRGOMPP-BHIFYINESA-N 2 2 407.668 4.248 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000479848534 895179130 /nfs/dbraw/zinc/17/91/30/895179130.db2.gz FSPCAPAQRGOMPP-BHIFYINESA-N 2 2 407.668 4.248 20 0 HIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000480525758 895888880 /nfs/dbraw/zinc/88/88/80/895888880.db2.gz JYBTXUPAJDVNSG-HXUWFJFHSA-N 2 2 415.541 4.137 20 0 HIADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000505352110 914018332 /nfs/dbraw/zinc/01/83/32/914018332.db2.gz WBZWLZWUAUHKQC-XMMPIXPASA-N 2 2 402.542 4.089 20 0 HIADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000505352110 914018346 /nfs/dbraw/zinc/01/83/46/914018346.db2.gz WBZWLZWUAUHKQC-XMMPIXPASA-N 2 2 402.542 4.089 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480726294 896087222 /nfs/dbraw/zinc/08/72/22/896087222.db2.gz GYTLBTZSTUMSCH-QFUCXCTJSA-N 2 2 418.507 4.179 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480726294 896087235 /nfs/dbraw/zinc/08/72/35/896087235.db2.gz GYTLBTZSTUMSCH-QFUCXCTJSA-N 2 2 418.507 4.179 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480772310 896135747 /nfs/dbraw/zinc/13/57/47/896135747.db2.gz UJIPMXLRASOQQY-VEXUSMLFSA-N 2 2 413.009 4.372 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480772310 896135763 /nfs/dbraw/zinc/13/57/63/896135763.db2.gz UJIPMXLRASOQQY-VEXUSMLFSA-N 2 2 413.009 4.372 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(OCc2nccn2C)cc1 ZINC000480800509 896168531 /nfs/dbraw/zinc/16/85/31/896168531.db2.gz DTNOWGBZTCEKQZ-LJQANCHMSA-N 2 2 401.514 4.095 20 0 HIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000480908959 896264191 /nfs/dbraw/zinc/26/41/91/896264191.db2.gz LNXTWQHCNMSGOT-GOSISDBHSA-N 2 2 401.982 4.337 20 0 HIADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000480908959 896264208 /nfs/dbraw/zinc/26/42/08/896264208.db2.gz LNXTWQHCNMSGOT-GOSISDBHSA-N 2 2 401.982 4.337 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000481164169 896494619 /nfs/dbraw/zinc/49/46/19/896494619.db2.gz AXZCZQUGXPPBKB-UZLBHIALSA-N 2 2 421.463 4.024 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000481164169 896494625 /nfs/dbraw/zinc/49/46/25/896494625.db2.gz AXZCZQUGXPPBKB-UZLBHIALSA-N 2 2 421.463 4.024 20 0 HIADLP Cc1ccc2nc(NC(=O)C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)sc2c1 ZINC000481162324 896496101 /nfs/dbraw/zinc/49/61/01/896496101.db2.gz CJYNCDDJGANDES-MJGOQNOKSA-N 2 2 408.571 4.043 20 0 HIADLP Cc1ccc2nc(NC(=O)C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)sc2c1 ZINC000481162324 896496113 /nfs/dbraw/zinc/49/61/13/896496113.db2.gz CJYNCDDJGANDES-MJGOQNOKSA-N 2 2 408.571 4.043 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000481181923 896523277 /nfs/dbraw/zinc/52/32/77/896523277.db2.gz ABMZXEHBLXOBNE-KXBFYZLASA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000481181923 896523289 /nfs/dbraw/zinc/52/32/89/896523289.db2.gz ABMZXEHBLXOBNE-KXBFYZLASA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000481181922 896524906 /nfs/dbraw/zinc/52/49/06/896524906.db2.gz ABMZXEHBLXOBNE-HNAYVOBHSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000481181922 896524919 /nfs/dbraw/zinc/52/49/19/896524919.db2.gz ABMZXEHBLXOBNE-HNAYVOBHSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cccc2ncccc21 ZINC000481185137 896529860 /nfs/dbraw/zinc/52/98/60/896529860.db2.gz DIWZUUXCLUBRBH-XQBPLPMBSA-N 2 2 402.542 4.062 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cccc2ncccc21 ZINC000481185137 896529884 /nfs/dbraw/zinc/52/98/84/896529884.db2.gz DIWZUUXCLUBRBH-XQBPLPMBSA-N 2 2 402.542 4.062 20 0 HIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000481319196 896672046 /nfs/dbraw/zinc/67/20/46/896672046.db2.gz SSHYWULAGRYNBZ-FQEVSTJZSA-N 2 2 424.589 4.243 20 0 HIADLP COc1cc(OC)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000481328212 896686038 /nfs/dbraw/zinc/68/60/38/896686038.db2.gz QRRYOGSKRNWIBY-MRXNPFEDSA-N 2 2 404.938 4.040 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc2c(s1)CCCC2 ZINC000481396596 896803504 /nfs/dbraw/zinc/80/35/04/896803504.db2.gz BMEBRZQCTWPNKH-SFHVURJKSA-N 2 2 400.588 4.189 20 0 HIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000481416883 896820647 /nfs/dbraw/zinc/82/06/47/896820647.db2.gz VDVWJTZTCUEUIP-BEFAXECRSA-N 2 2 408.384 4.020 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(-c2ccncc2)c1 ZINC000481420225 896823034 /nfs/dbraw/zinc/82/30/34/896823034.db2.gz OOWLNANZAPRUOW-NRFANRHFSA-N 2 2 417.553 4.310 20 0 HIADLP Clc1cccc2c1SCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481421854 896824162 /nfs/dbraw/zinc/82/41/62/896824162.db2.gz RHHZLLLWNAPXKT-OAQYLSRUSA-N 2 2 418.990 4.378 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000505466422 914136787 /nfs/dbraw/zinc/13/67/87/914136787.db2.gz AICXMADGXLGIBT-RUZDIDTESA-N 2 2 417.528 4.244 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1 ZINC000505466422 914136794 /nfs/dbraw/zinc/13/67/94/914136794.db2.gz AICXMADGXLGIBT-RUZDIDTESA-N 2 2 417.528 4.244 20 0 HIADLP O=C(CC[NH2+][C@H]1CCCc2c3ccccc3sc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000482130007 897587616 /nfs/dbraw/zinc/58/76/16/897587616.db2.gz DFFZCSBZIOTKPB-FQEVSTJZSA-N 2 2 420.582 4.002 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000482888280 898504928 /nfs/dbraw/zinc/50/49/28/898504928.db2.gz JKMNQDCIVMTVFF-LBPRGKRZSA-N 2 2 406.785 4.240 20 0 HIADLP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000483361781 898998632 /nfs/dbraw/zinc/99/86/32/898998632.db2.gz VLRPUQHVLWBNRY-SFHVURJKSA-N 2 2 423.536 4.259 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000483544928 899205558 /nfs/dbraw/zinc/20/55/58/899205558.db2.gz PFRIBLOVMJLIPP-UHFFFAOYSA-N 2 2 408.933 4.182 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000483544928 899205567 /nfs/dbraw/zinc/20/55/67/899205567.db2.gz PFRIBLOVMJLIPP-UHFFFAOYSA-N 2 2 408.933 4.182 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000483573959 899227249 /nfs/dbraw/zinc/22/72/49/899227249.db2.gz BCBMYUAFWIDAIR-VWNXMTODSA-N 2 2 414.553 4.307 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000483573959 899227262 /nfs/dbraw/zinc/22/72/62/899227262.db2.gz BCBMYUAFWIDAIR-VWNXMTODSA-N 2 2 414.553 4.307 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483572952 899227548 /nfs/dbraw/zinc/22/75/48/899227548.db2.gz LBHDYZRERHFPEW-DQEYMECFSA-N 2 2 414.553 4.058 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483572952 899227561 /nfs/dbraw/zinc/22/75/61/899227561.db2.gz LBHDYZRERHFPEW-DQEYMECFSA-N 2 2 414.553 4.058 20 0 HIADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[C@H]1C ZINC000483715413 899373136 /nfs/dbraw/zinc/37/31/36/899373136.db2.gz WYKSPKQRSSEEBT-UWVAXJGDSA-N 2 2 424.992 4.130 20 0 HIADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[C@H]1C ZINC000483715413 899373148 /nfs/dbraw/zinc/37/31/48/899373148.db2.gz WYKSPKQRSSEEBT-UWVAXJGDSA-N 2 2 424.992 4.130 20 0 HIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000484134270 899755335 /nfs/dbraw/zinc/75/53/35/899755335.db2.gz PPTOUJACSOQXMY-MOPGFXCFSA-N 2 2 415.603 4.372 20 0 HIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cccc(N2CCOCC2)c1 ZINC000484141465 899760966 /nfs/dbraw/zinc/76/09/66/899760966.db2.gz XOSRPTJMSHETEU-YADHBBJMSA-N 2 2 423.601 4.074 20 0 HIADLP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)c(C)c2c1 ZINC000484151011 899772947 /nfs/dbraw/zinc/77/29/47/899772947.db2.gz ZLTPKSUMVCGPEE-JXHRLWIKSA-N 2 2 408.542 4.283 20 0 HIADLP COc1ccc2oc([C@H](C)[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)c(C)c2c1 ZINC000484151011 899772958 /nfs/dbraw/zinc/77/29/58/899772958.db2.gz ZLTPKSUMVCGPEE-JXHRLWIKSA-N 2 2 408.542 4.283 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000484156114 899776637 /nfs/dbraw/zinc/77/66/37/899776637.db2.gz BYQXYGMPWZTAIN-YYWHXJBOSA-N 2 2 402.991 4.350 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000484156114 899776644 /nfs/dbraw/zinc/77/66/44/899776644.db2.gz BYQXYGMPWZTAIN-YYWHXJBOSA-N 2 2 402.991 4.350 20 0 HIADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)ccc2c1 ZINC000484167267 899786208 /nfs/dbraw/zinc/78/62/08/899786208.db2.gz SGQOPMXGKDOBIZ-LNXUECGXSA-N 2 2 404.554 4.382 20 0 HIADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)ccc2c1 ZINC000484167267 899786218 /nfs/dbraw/zinc/78/62/18/899786218.db2.gz SGQOPMXGKDOBIZ-LNXUECGXSA-N 2 2 404.554 4.382 20 0 HIADLP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2c(OC)c1 ZINC000484294335 899857824 /nfs/dbraw/zinc/85/78/24/899857824.db2.gz LZEKGSTYZFTHQO-WZONZLPQSA-N 2 2 422.573 4.013 20 0 HIADLP COc1cc2[nH]c(CCC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2c(OC)c1 ZINC000484294335 899857830 /nfs/dbraw/zinc/85/78/30/899857830.db2.gz LZEKGSTYZFTHQO-WZONZLPQSA-N 2 2 422.573 4.013 20 0 HIADLP CN(c1ccccc1C[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1)C1CC[NH+](C)CC1 ZINC000485297504 900575831 /nfs/dbraw/zinc/57/58/31/900575831.db2.gz AWOHOQPODJHHCS-UHFFFAOYSA-N 2 2 403.574 4.239 20 0 HIADLP CN(c1ccccc1C[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1)C1CC[NH+](C)CC1 ZINC000485297504 900575838 /nfs/dbraw/zinc/57/58/38/900575838.db2.gz AWOHOQPODJHHCS-UHFFFAOYSA-N 2 2 403.574 4.239 20 0 HIADLP CCOc1ccccc1NC(=O)CC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000485438209 900735388 /nfs/dbraw/zinc/73/53/88/900735388.db2.gz LYAJHQNRDCKXGA-UHFFFAOYSA-N 2 2 410.562 4.047 20 0 HIADLP CCOc1ccccc1NC(=O)CC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000485438209 900735395 /nfs/dbraw/zinc/73/53/95/900735395.db2.gz LYAJHQNRDCKXGA-UHFFFAOYSA-N 2 2 410.562 4.047 20 0 HIADLP C[C@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000485832948 901079435 /nfs/dbraw/zinc/07/94/35/901079435.db2.gz SEHYGTCZVHPBGD-GJZGRUSLSA-N 2 2 405.384 4.078 20 0 HIADLP C[C@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000485832948 901079447 /nfs/dbraw/zinc/07/94/47/901079447.db2.gz SEHYGTCZVHPBGD-GJZGRUSLSA-N 2 2 405.384 4.078 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000488261986 902733009 /nfs/dbraw/zinc/73/30/09/902733009.db2.gz JDOMWRBJWZMPCT-ZPMCFJSWSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000488261986 902733012 /nfs/dbraw/zinc/73/30/12/902733012.db2.gz JDOMWRBJWZMPCT-ZPMCFJSWSA-N 2 2 421.029 4.380 20 0 HIADLP CC[N@@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489292060 903312988 /nfs/dbraw/zinc/31/29/88/903312988.db2.gz LFJQMELLRUQUKG-UHFFFAOYSA-N 2 2 411.937 4.122 20 0 HIADLP CC[N@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489292060 903313001 /nfs/dbraw/zinc/31/30/01/903313001.db2.gz LFJQMELLRUQUKG-UHFFFAOYSA-N 2 2 411.937 4.122 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000489331447 903334248 /nfs/dbraw/zinc/33/42/48/903334248.db2.gz PUGWQUJQGAWOAD-GOSISDBHSA-N 2 2 421.545 4.440 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000489331447 903334262 /nfs/dbraw/zinc/33/42/62/903334262.db2.gz PUGWQUJQGAWOAD-GOSISDBHSA-N 2 2 421.545 4.440 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000490157136 903798671 /nfs/dbraw/zinc/79/86/71/903798671.db2.gz LREXCSRYRPZJLL-FGZHOGPDSA-N 2 2 417.956 4.101 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000490157136 903798680 /nfs/dbraw/zinc/79/86/80/903798680.db2.gz LREXCSRYRPZJLL-FGZHOGPDSA-N 2 2 417.956 4.101 20 0 HIADLP O=C(NCc1ccco1)c1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491056165 904398647 /nfs/dbraw/zinc/39/86/47/904398647.db2.gz ILSQEKVSSVSPLL-JOCHJYFZSA-N 2 2 409.574 4.298 20 0 HIADLP O=C(NCc1ccco1)c1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491056165 904398664 /nfs/dbraw/zinc/39/86/64/904398664.db2.gz ILSQEKVSSVSPLL-JOCHJYFZSA-N 2 2 409.574 4.298 20 0 HIADLP C[C@H](C[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F)CN1CC[NH+](C)CC1 ZINC000491061571 904405012 /nfs/dbraw/zinc/40/50/12/904405012.db2.gz RQYOBUWMOZTAIS-OPAMFIHVSA-N 2 2 407.936 4.181 20 0 HIADLP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000491870679 904715699 /nfs/dbraw/zinc/71/56/99/904715699.db2.gz YBNYAAMCZUKEIE-KRWDZBQOSA-N 2 2 423.388 4.123 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000492227110 904818946 /nfs/dbraw/zinc/81/89/46/904818946.db2.gz QDWSUBXKEWIGOA-FYINFDKHSA-N 2 2 421.354 4.264 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000492227110 904818950 /nfs/dbraw/zinc/81/89/50/904818950.db2.gz QDWSUBXKEWIGOA-FYINFDKHSA-N 2 2 421.354 4.264 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492289982 904830029 /nfs/dbraw/zinc/83/00/29/904830029.db2.gz KENZCSRHEKCDFN-IBGZPJMESA-N 2 2 418.545 4.023 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492289982 904830035 /nfs/dbraw/zinc/83/00/35/904830035.db2.gz KENZCSRHEKCDFN-IBGZPJMESA-N 2 2 418.545 4.023 20 0 HIADLP C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492401373 904844057 /nfs/dbraw/zinc/84/40/57/904844057.db2.gz OTHNIGZSGBSMPS-AEFFLSMTSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492401373 904844058 /nfs/dbraw/zinc/84/40/58/904844058.db2.gz OTHNIGZSGBSMPS-AEFFLSMTSA-N 2 2 413.363 4.097 20 0 HIADLP COCC[N@H+](Cc1ccc(Br)s1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000494274171 905598000 /nfs/dbraw/zinc/59/80/00/905598000.db2.gz NVLRNBYMQFZJOZ-UHFFFAOYSA-N 2 2 406.349 4.345 20 0 HIADLP COCC[N@@H+](Cc1ccc(Br)s1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000494274171 905598018 /nfs/dbraw/zinc/59/80/18/905598018.db2.gz NVLRNBYMQFZJOZ-UHFFFAOYSA-N 2 2 406.349 4.345 20 0 HIADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494389757 905686655 /nfs/dbraw/zinc/68/66/55/905686655.db2.gz DMMJXMQJVZPXKA-LJQANCHMSA-N 2 2 417.488 4.413 20 0 HIADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n2)c1 ZINC000494421866 905708460 /nfs/dbraw/zinc/70/84/60/905708460.db2.gz AKFAQIAWSSAJOV-ZIBCJSCZSA-N 2 2 402.546 4.021 20 0 HIADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2)c1 ZINC000494421866 905708467 /nfs/dbraw/zinc/70/84/67/905708467.db2.gz AKFAQIAWSSAJOV-ZIBCJSCZSA-N 2 2 402.546 4.021 20 0 HIADLP CN(C(=O)Nc1cccc(F)c1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000495033019 906188423 /nfs/dbraw/zinc/18/84/23/906188423.db2.gz XUKYKIQQMTYBPK-RTBURBONSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cccc(F)c1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495033019 906188433 /nfs/dbraw/zinc/18/84/33/906188433.db2.gz XUKYKIQQMTYBPK-RTBURBONSA-N 2 2 410.965 4.280 20 0 HIADLP C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000495055739 906208290 /nfs/dbraw/zinc/20/82/90/906208290.db2.gz AHGFYGNYVFDWGW-INIZCTEOSA-N 2 2 416.566 4.084 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000497830247 907310955 /nfs/dbraw/zinc/31/09/55/907310955.db2.gz BPUQRCHXVPXWIZ-UHFFFAOYSA-N 2 2 418.891 4.039 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000498432875 907899315 /nfs/dbraw/zinc/89/93/15/907899315.db2.gz BEGBOAULWALRSP-UHFFFAOYSA-N 2 2 411.615 4.077 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000498432875 907899320 /nfs/dbraw/zinc/89/93/20/907899320.db2.gz BEGBOAULWALRSP-UHFFFAOYSA-N 2 2 411.615 4.077 20 0 HIADLP CSCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC000499145738 908503134 /nfs/dbraw/zinc/50/31/34/908503134.db2.gz IBQHQJQWQBLUSO-LRSLUSHPSA-N 2 2 421.614 4.309 20 0 HIADLP CSCC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC000499145738 908503142 /nfs/dbraw/zinc/50/31/42/908503142.db2.gz IBQHQJQWQBLUSO-LRSLUSHPSA-N 2 2 421.614 4.309 20 0 HIADLP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1Cl ZINC000499215802 908572150 /nfs/dbraw/zinc/57/21/50/908572150.db2.gz RKXUZYVYCKHNOA-XAPVIXHLSA-N 2 2 409.961 4.231 20 0 HIADLP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1Cl ZINC000499215802 908572158 /nfs/dbraw/zinc/57/21/58/908572158.db2.gz RKXUZYVYCKHNOA-XAPVIXHLSA-N 2 2 409.961 4.231 20 0 HIADLP CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000513057540 921514472 /nfs/dbraw/zinc/51/44/72/921514472.db2.gz MIBWSJIERNVTMJ-QHCPKHFHSA-N 2 2 421.589 4.048 20 0 HIADLP C[NH+](C)CCCC1CC[NH+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CC1 ZINC000501770344 910825379 /nfs/dbraw/zinc/82/53/79/910825379.db2.gz OLMORWORAAFWTD-UHFFFAOYSA-N 2 2 400.548 4.211 20 0 HIADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2cccs2)cc1 ZINC000503053305 912015875 /nfs/dbraw/zinc/01/58/75/912015875.db2.gz OKFXBKFEZMOGMF-XQFWAAQXSA-N 2 2 408.571 4.042 20 0 HIADLP C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503051082 912016675 /nfs/dbraw/zinc/01/66/75/912016675.db2.gz FYXYYYYWIPJHPV-YOEHRIQHSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503051082 912016693 /nfs/dbraw/zinc/01/66/93/912016693.db2.gz FYXYYYYWIPJHPV-YOEHRIQHSA-N 2 2 401.308 4.384 20 0 HIADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000503074373 912042419 /nfs/dbraw/zinc/04/24/19/912042419.db2.gz JQLYSDYXJRSSQO-TZYHBYERSA-N 2 2 404.514 4.155 20 0 HIADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000503074373 912042438 /nfs/dbraw/zinc/04/24/38/912042438.db2.gz JQLYSDYXJRSSQO-TZYHBYERSA-N 2 2 404.514 4.155 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503075496 912045577 /nfs/dbraw/zinc/04/55/77/912045577.db2.gz VCZKVDPDQKSCTE-NTKDMRAZSA-N 2 2 415.541 4.099 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503075496 912045590 /nfs/dbraw/zinc/04/55/90/912045590.db2.gz VCZKVDPDQKSCTE-NTKDMRAZSA-N 2 2 415.541 4.099 20 0 HIADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000503076082 912046197 /nfs/dbraw/zinc/04/61/97/912046197.db2.gz WKZHIONUYVFQIQ-UHFFFAOYSA-N 2 2 411.575 4.201 20 0 HIADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC000503076082 912046212 /nfs/dbraw/zinc/04/62/12/912046212.db2.gz WKZHIONUYVFQIQ-UHFFFAOYSA-N 2 2 411.575 4.201 20 0 HIADLP COc1cccc(C([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2cccc(OC)c2)c1 ZINC000513329362 921717265 /nfs/dbraw/zinc/71/72/65/921717265.db2.gz CKAVQNZGOUWNPR-UHFFFAOYSA-N 2 2 403.526 4.447 20 0 HIADLP Clc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000506440256 915041000 /nfs/dbraw/zinc/04/10/00/915041000.db2.gz MVYAAZGTEYPURL-UHFFFAOYSA-N 2 2 401.776 4.037 20 0 HIADLP FC(F)(F)c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc(C(F)(F)F)c1 ZINC000506911145 915709765 /nfs/dbraw/zinc/70/97/65/915709765.db2.gz JMONDZQMVDQJCE-UHFFFAOYSA-N 2 2 410.402 4.268 20 0 HIADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000507215638 915965836 /nfs/dbraw/zinc/96/58/36/915965836.db2.gz FQQMXIWCDOEXPB-CTNGQTDRSA-N 2 2 423.605 4.238 20 0 HIADLP CC[NH+](CC)CC1CC[NH+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CC1 ZINC000507979164 916826834 /nfs/dbraw/zinc/82/68/34/916826834.db2.gz LZQYRLCYZQHLAR-UHFFFAOYSA-N 2 2 400.548 4.211 20 0 HIADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[C@H](c1ccccc1)[NH+](C)C ZINC000508888158 917642217 /nfs/dbraw/zinc/64/22/17/917642217.db2.gz CAQSSTHBQQEUMC-LWZKNFMGSA-N 2 2 417.557 4.102 20 0 HIADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+](C)C ZINC000508909453 917666947 /nfs/dbraw/zinc/66/69/47/917666947.db2.gz WAQKDTFBPZNNAN-NZQKXSOJSA-N 2 2 411.594 4.085 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000509037186 917791966 /nfs/dbraw/zinc/79/19/66/917791966.db2.gz CRVOVJOXVGASNH-HKUYNNGSSA-N 2 2 403.958 4.035 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000509037186 917791972 /nfs/dbraw/zinc/79/19/72/917791972.db2.gz CRVOVJOXVGASNH-HKUYNNGSSA-N 2 2 403.958 4.035 20 0 HIADLP O=C1COc2ccc(C[NH2+]Cc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)cc2N1 ZINC000510794190 919263028 /nfs/dbraw/zinc/26/30/28/919263028.db2.gz FMHGEPGDJHJOHB-UHFFFAOYSA-N 2 2 424.504 4.219 20 0 HIADLP C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511949296 920705064 /nfs/dbraw/zinc/70/50/64/920705064.db2.gz QHMFSLYLALUVBP-FGTMMUONSA-N 2 2 419.639 4.150 20 0 HIADLP C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511949296 920705105 /nfs/dbraw/zinc/70/51/05/920705105.db2.gz QHMFSLYLALUVBP-FGTMMUONSA-N 2 2 419.639 4.150 20 0 HIADLP C[C@H](NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511949296 920705124 /nfs/dbraw/zinc/70/51/24/920705124.db2.gz QHMFSLYLALUVBP-FGTMMUONSA-N 2 2 419.639 4.150 20 0 HIADLP C[C@H](NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511949296 920705151 /nfs/dbraw/zinc/70/51/51/920705151.db2.gz QHMFSLYLALUVBP-FGTMMUONSA-N 2 2 419.639 4.150 20 0 HIADLP C/C=C\c1ccc(OC[C@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000512300486 921057443 /nfs/dbraw/zinc/05/74/43/921057443.db2.gz DUCUNFZHDPYGDD-QFKXJLMFSA-N 2 2 424.585 4.064 20 0 HIADLP C/C=C\c1ccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000512300486 921057456 /nfs/dbraw/zinc/05/74/56/921057456.db2.gz DUCUNFZHDPYGDD-QFKXJLMFSA-N 2 2 424.585 4.064 20 0 HIADLP C[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512324290 921074349 /nfs/dbraw/zinc/07/43/49/921074349.db2.gz PXJIGVQQJDPITH-UHFFFAOYSA-N 2 2 417.553 4.306 20 0 HIADLP C[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512324290 921074358 /nfs/dbraw/zinc/07/43/58/921074358.db2.gz PXJIGVQQJDPITH-UHFFFAOYSA-N 2 2 417.553 4.306 20 0 HIADLP C[N@H+](Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)C1CC[NH+](CCO)CC1 ZINC000513527337 921870555 /nfs/dbraw/zinc/87/05/55/921870555.db2.gz YXDJIVKFZILBGS-UHFFFAOYSA-N 2 2 408.464 4.386 20 0 HIADLP C[N@@H+](Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)C1CC[NH+](CCO)CC1 ZINC000513527337 921870561 /nfs/dbraw/zinc/87/05/61/921870561.db2.gz YXDJIVKFZILBGS-UHFFFAOYSA-N 2 2 408.464 4.386 20 0 HIADLP CCOc1c(OC)cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC000514928277 922846337 /nfs/dbraw/zinc/84/63/37/922846337.db2.gz QKAYFESEYBCTHH-RUZDIDTESA-N 2 2 410.558 4.201 20 0 HIADLP CCOc1c(OC)cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC000514928277 922846339 /nfs/dbraw/zinc/84/63/39/922846339.db2.gz QKAYFESEYBCTHH-RUZDIDTESA-N 2 2 410.558 4.201 20 0 HIADLP CCOc1c(OC)cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000514928277 922846348 /nfs/dbraw/zinc/84/63/48/922846348.db2.gz QKAYFESEYBCTHH-RUZDIDTESA-N 2 2 410.558 4.201 20 0 HIADLP CCOc1c(OC)cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000514928277 922846352 /nfs/dbraw/zinc/84/63/52/922846352.db2.gz QKAYFESEYBCTHH-RUZDIDTESA-N 2 2 410.558 4.201 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)n2)cc1 ZINC000515162755 922962172 /nfs/dbraw/zinc/96/21/72/922962172.db2.gz NYJZXSZPWKBFRK-YUXAGFNASA-N 2 2 418.541 4.260 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)n2)cc1 ZINC000515162755 922962193 /nfs/dbraw/zinc/96/21/93/922962193.db2.gz NYJZXSZPWKBFRK-YUXAGFNASA-N 2 2 418.541 4.260 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)n2)cc1 ZINC000515162755 922962213 /nfs/dbraw/zinc/96/22/13/922962213.db2.gz NYJZXSZPWKBFRK-YUXAGFNASA-N 2 2 418.541 4.260 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)n2)cc1 ZINC000515162755 922962221 /nfs/dbraw/zinc/96/22/21/922962221.db2.gz NYJZXSZPWKBFRK-YUXAGFNASA-N 2 2 418.541 4.260 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000515522231 923153876 /nfs/dbraw/zinc/15/38/76/923153876.db2.gz CGNFZPRZTQLILY-FHAGJXEFSA-N 2 2 405.586 4.274 20 0 HIADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000516592598 923806398 /nfs/dbraw/zinc/80/63/98/923806398.db2.gz DMAVIRIAGHMSGZ-UHFFFAOYSA-N 2 2 420.357 4.196 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(OCc2nccn2C)cc1 ZINC000517786695 926835924 /nfs/dbraw/zinc/83/59/24/926835924.db2.gz CQWYMCSAZZNLTI-LJQANCHMSA-N 2 2 401.514 4.095 20 0 HIADLP c1ccc(-c2cccc(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)c2)cc1 ZINC000518280133 927137384 /nfs/dbraw/zinc/13/73/84/927137384.db2.gz RCHXYNIJSRWEEO-UHFFFAOYSA-N 2 2 402.538 4.354 20 0 HIADLP CCC[N@H+](C)CC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+]1CCc2sccc2C1 ZINC000518575759 927355907 /nfs/dbraw/zinc/35/59/07/927355907.db2.gz OTQCIFFWAMDGIF-FQEVSTJZSA-N 2 2 417.644 4.027 20 0 HIADLP CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+]1CCc2sccc2C1 ZINC000518575759 927355917 /nfs/dbraw/zinc/35/59/17/927355917.db2.gz OTQCIFFWAMDGIF-FQEVSTJZSA-N 2 2 417.644 4.027 20 0 HIADLP CCC[NH+](C)CC(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000518575759 927355928 /nfs/dbraw/zinc/35/59/28/927355928.db2.gz OTQCIFFWAMDGIF-FQEVSTJZSA-N 2 2 417.644 4.027 20 0 HIADLP CCC[NH+](C)CC(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000518575759 927355932 /nfs/dbraw/zinc/35/59/32/927355932.db2.gz OTQCIFFWAMDGIF-FQEVSTJZSA-N 2 2 417.644 4.027 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000519923745 928156974 /nfs/dbraw/zinc/15/69/74/928156974.db2.gz LJKOZFRMAODVMF-SFHVURJKSA-N 2 2 424.589 4.281 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1C ZINC000519923745 928156987 /nfs/dbraw/zinc/15/69/87/928156987.db2.gz LJKOZFRMAODVMF-SFHVURJKSA-N 2 2 424.589 4.281 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCC1)c1ccccc1 ZINC000521374662 929192170 /nfs/dbraw/zinc/19/21/70/929192170.db2.gz DFQMFCSZQUCTFA-NRFANRHFSA-N 2 2 416.569 4.254 20 0 HIADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000521597773 929319906 /nfs/dbraw/zinc/31/99/06/929319906.db2.gz NIIOMNORUGXDKC-GOSISDBHSA-N 2 2 416.566 4.119 20 0 HIADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000521597773 929319916 /nfs/dbraw/zinc/31/99/16/929319916.db2.gz NIIOMNORUGXDKC-GOSISDBHSA-N 2 2 416.566 4.119 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521686226 929366892 /nfs/dbraw/zinc/36/68/92/929366892.db2.gz YZIFHSIBMMSRIZ-INIZCTEOSA-N 2 2 421.372 4.120 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521686226 929366904 /nfs/dbraw/zinc/36/69/04/929366904.db2.gz YZIFHSIBMMSRIZ-INIZCTEOSA-N 2 2 421.372 4.120 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000521844728 929496187 /nfs/dbraw/zinc/49/61/87/929496187.db2.gz RBJZFLGKRJRTBZ-FQEVSTJZSA-N 2 2 415.541 4.229 20 0 HIADLP C[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1CCC1 ZINC000525409797 930223842 /nfs/dbraw/zinc/22/38/42/930223842.db2.gz OXHAZTDAYSCYJR-NRFANRHFSA-N 2 2 421.585 4.321 20 0 HIADLP C[C@@H](c1ccccc1)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1CCC1 ZINC000525409797 930223846 /nfs/dbraw/zinc/22/38/46/930223846.db2.gz OXHAZTDAYSCYJR-NRFANRHFSA-N 2 2 421.585 4.321 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc2ccccc2s1 ZINC000526944949 930554159 /nfs/dbraw/zinc/55/41/59/930554159.db2.gz VLHBRSAQVGEMSO-QGZVFWFLSA-N 2 2 409.555 4.023 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(C(F)(F)F)c1 ZINC000530815150 930830357 /nfs/dbraw/zinc/83/03/57/930830357.db2.gz LGNVFILSUZLYAR-AEFFLSMTSA-N 2 2 408.468 4.218 20 0 HIADLP COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000531535674 931096266 /nfs/dbraw/zinc/09/62/66/931096266.db2.gz PPQDXBCKJFKNKR-UHFFFAOYSA-N 2 2 402.538 4.484 20 0 HIADLP FC(F)(F)c1cnc(N2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c(Cl)c1 ZINC000531557844 931102139 /nfs/dbraw/zinc/10/21/39/931102139.db2.gz SDDDFXJETURJMR-INIZCTEOSA-N 2 2 421.854 4.308 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(Br)c(Br)c1)CCC2 ZINC000531556399 931102443 /nfs/dbraw/zinc/10/24/43/931102443.db2.gz YWVYHWWYADTAKW-CYBMUJFWSA-N 2 2 413.157 4.384 20 0 HIADLP CSCC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1nnc2ccccn21 ZINC000531690408 931154876 /nfs/dbraw/zinc/15/48/76/931154876.db2.gz KLLPYVIAEBFMJD-UZLBHIALSA-N 2 2 406.559 4.368 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000531695383 931158338 /nfs/dbraw/zinc/15/83/38/931158338.db2.gz PVKMWUWVKHNIJI-VQTJNVASSA-N 3 2 404.558 4.252 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000531695383 931158345 /nfs/dbraw/zinc/15/83/45/931158345.db2.gz PVKMWUWVKHNIJI-VQTJNVASSA-N 3 2 404.558 4.252 20 0 HIADLP C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000531737723 931179130 /nfs/dbraw/zinc/17/91/30/931179130.db2.gz JSPINIVLKNFGIU-HXUWFJFHSA-N 2 2 402.542 4.004 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000532212115 931354726 /nfs/dbraw/zinc/35/47/26/931354726.db2.gz XLZOKPXRIPEYLN-NLFFAJNJSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000532212115 931354734 /nfs/dbraw/zinc/35/47/34/931354734.db2.gz XLZOKPXRIPEYLN-NLFFAJNJSA-N 2 2 402.542 4.056 20 0 HIADLP CC(C)(C)[NH+]1CCC([NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000532459376 931444699 /nfs/dbraw/zinc/44/46/99/931444699.db2.gz MUDXIULCJURJNR-LJQANCHMSA-N 2 2 411.512 4.221 20 0 HIADLP O=C(c1ccccc1Cl)N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000532465015 931446741 /nfs/dbraw/zinc/44/67/41/931446741.db2.gz DDJFTDQDHBOQPO-UHFFFAOYSA-N 2 2 412.896 4.059 20 0 HIADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000532500188 931464120 /nfs/dbraw/zinc/46/41/20/931464120.db2.gz IEPSTUBTTLBRJJ-OAHLLOKOSA-N 2 2 418.419 4.278 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C ZINC000532544008 931516837 /nfs/dbraw/zinc/51/68/37/931516837.db2.gz RZONVHJWURPNRU-IBGZPJMESA-N 2 2 409.574 4.249 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000532544008 931516840 /nfs/dbraw/zinc/51/68/40/931516840.db2.gz RZONVHJWURPNRU-IBGZPJMESA-N 2 2 409.574 4.249 20 0 HIADLP O=C(C[N@@H+]1CCCCC[C@@H]1c1ccco1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532586488 931545281 /nfs/dbraw/zinc/54/52/81/931545281.db2.gz WPESJXRUTPJKQB-OAQYLSRUSA-N 2 2 413.587 4.384 20 0 HIADLP O=C(C[N@H+]1CCCCC[C@@H]1c1ccco1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532586488 931545287 /nfs/dbraw/zinc/54/52/87/931545287.db2.gz WPESJXRUTPJKQB-OAQYLSRUSA-N 2 2 413.587 4.384 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000532670747 931577842 /nfs/dbraw/zinc/57/78/42/931577842.db2.gz STNDOPCUVQYRAW-HXUWFJFHSA-N 2 2 402.542 4.371 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(Cl)ccc3OC(F)F)[nH+]c2)CC1 ZINC000533188541 931804766 /nfs/dbraw/zinc/80/47/66/931804766.db2.gz YIUBFPRWZZZPOF-UHFFFAOYSA-N 2 2 410.896 4.479 20 0 HIADLP CCCCOc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000533187605 931804802 /nfs/dbraw/zinc/80/48/02/931804802.db2.gz VUXQLASBGSDBJW-UHFFFAOYSA-N 2 2 412.578 4.412 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000533478758 931879390 /nfs/dbraw/zinc/87/93/90/931879390.db2.gz ARYICDNUJGHORB-MRXNPFEDSA-N 2 2 402.970 4.465 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000533478758 931879392 /nfs/dbraw/zinc/87/93/92/931879392.db2.gz ARYICDNUJGHORB-MRXNPFEDSA-N 2 2 402.970 4.465 20 0 HIADLP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)n2)cc1 ZINC000533506712 931888194 /nfs/dbraw/zinc/88/81/94/931888194.db2.gz QKMKIZCBVUZQEV-LJQANCHMSA-N 2 2 403.461 4.441 20 0 HIADLP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)n2)cc1 ZINC000533506712 931888195 /nfs/dbraw/zinc/88/81/95/931888195.db2.gz QKMKIZCBVUZQEV-LJQANCHMSA-N 2 2 403.461 4.441 20 0 HIADLP CN(C(=O)Cc1cccc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648671 931944323 /nfs/dbraw/zinc/94/43/23/931944323.db2.gz IXPCLTAYXNDIGS-JWQCQUIFSA-N 2 2 407.602 4.178 20 0 HIADLP CN(C(=O)Cc1cccc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648671 931944330 /nfs/dbraw/zinc/94/43/30/931944330.db2.gz IXPCLTAYXNDIGS-JWQCQUIFSA-N 2 2 407.602 4.178 20 0 HIADLP CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648621 931944689 /nfs/dbraw/zinc/94/46/89/931944689.db2.gz IIOYYMZUZCNSIC-LOSJGSFVSA-N 2 2 407.602 4.178 20 0 HIADLP CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648621 931944695 /nfs/dbraw/zinc/94/46/95/931944695.db2.gz IIOYYMZUZCNSIC-LOSJGSFVSA-N 2 2 407.602 4.178 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)n1C(C)C ZINC000533649262 931945280 /nfs/dbraw/zinc/94/52/80/931945280.db2.gz PPKJTTARFCJKSI-GOTSBHOMSA-N 2 2 402.627 4.095 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1C(C)C ZINC000533649262 931945288 /nfs/dbraw/zinc/94/52/88/931945288.db2.gz PPKJTTARFCJKSI-GOTSBHOMSA-N 2 2 402.627 4.095 20 0 HIADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000533783931 932030514 /nfs/dbraw/zinc/03/05/14/932030514.db2.gz QQCBAAOMLLJNAI-AWEZNQCLSA-N 2 2 412.397 4.477 20 0 HIADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533880703 932077811 /nfs/dbraw/zinc/07/78/11/932077811.db2.gz SHLHZCYOBADRJB-GUDVDZBRSA-N 2 2 407.562 4.090 20 0 HIADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533881576 932078912 /nfs/dbraw/zinc/07/89/12/932078912.db2.gz ZUHYSPUBWNQMNS-UHFFFAOYSA-N 2 2 415.541 4.198 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000534348611 932388726 /nfs/dbraw/zinc/38/87/26/932388726.db2.gz XUAZRXBGGUSHQO-UWJYYQICSA-N 2 2 424.932 4.251 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000534348611 932388731 /nfs/dbraw/zinc/38/87/31/932388731.db2.gz XUAZRXBGGUSHQO-UWJYYQICSA-N 2 2 424.932 4.251 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000534359569 932392723 /nfs/dbraw/zinc/39/27/23/932392723.db2.gz KOKZBZYZGCRUAS-SXSPYAJSSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000534359569 932392731 /nfs/dbraw/zinc/39/27/31/932392731.db2.gz KOKZBZYZGCRUAS-SXSPYAJSSA-N 2 2 403.586 4.115 20 0 HIADLP CN(C(=O)NCc1ccc2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534383781 932409618 /nfs/dbraw/zinc/40/96/18/932409618.db2.gz GKRNCAQGWKNJCX-LOSJGSFVSA-N 2 2 422.617 4.318 20 0 HIADLP CN(C(=O)NCc1ccc2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534383781 932409626 /nfs/dbraw/zinc/40/96/26/932409626.db2.gz GKRNCAQGWKNJCX-LOSJGSFVSA-N 2 2 422.617 4.318 20 0 HIADLP CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534382790 932409910 /nfs/dbraw/zinc/40/99/10/932409910.db2.gz CJHDALIIHVAGPC-LNRXMEIDSA-N 2 2 424.699 4.029 20 0 HIADLP CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534382790 932409914 /nfs/dbraw/zinc/40/99/14/932409914.db2.gz CJHDALIIHVAGPC-LNRXMEIDSA-N 2 2 424.699 4.029 20 0 HIADLP C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384439 932410589 /nfs/dbraw/zinc/41/05/89/932410589.db2.gz IJIPSLQJGJETDD-UWXQAFAOSA-N 2 2 414.638 4.157 20 0 HIADLP C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384439 932410591 /nfs/dbraw/zinc/41/05/91/932410591.db2.gz IJIPSLQJGJETDD-UWXQAFAOSA-N 2 2 414.638 4.157 20 0 HIADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000534599748 932585982 /nfs/dbraw/zinc/58/59/82/932585982.db2.gz PXTUSHZMFMMNPV-IBGZPJMESA-N 2 2 407.562 4.091 20 0 HIADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000534599748 932585995 /nfs/dbraw/zinc/58/59/95/932585995.db2.gz PXTUSHZMFMMNPV-IBGZPJMESA-N 2 2 407.562 4.091 20 0 HIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000534693216 932663265 /nfs/dbraw/zinc/66/32/65/932663265.db2.gz XQBRQHGZMDHIPH-UHFFFAOYSA-N 2 2 411.512 4.051 20 0 HIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000534693216 932663273 /nfs/dbraw/zinc/66/32/73/932663273.db2.gz XQBRQHGZMDHIPH-UHFFFAOYSA-N 2 2 411.512 4.051 20 0 HIADLP CN(C(=O)CCc1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093603 932907293 /nfs/dbraw/zinc/90/72/93/932907293.db2.gz DIODROCCHRETCN-FGZHOGPDSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093603 932907298 /nfs/dbraw/zinc/90/72/98/932907298.db2.gz DIODROCCHRETCN-FGZHOGPDSA-N 2 2 406.014 4.068 20 0 HIADLP Cc1cc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c(C)c1 ZINC000535096348 932910431 /nfs/dbraw/zinc/91/04/31/932910431.db2.gz SOBWSDUUNJSQCU-DNQXCXABSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1cc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c(C)c1 ZINC000535096348 932910442 /nfs/dbraw/zinc/91/04/42/932910442.db2.gz SOBWSDUUNJSQCU-DNQXCXABSA-N 2 2 410.606 4.194 20 0 HIADLP CCCc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000535097636 932914300 /nfs/dbraw/zinc/91/43/00/932914300.db2.gz XGFNWPZHVKPKDJ-SFTDATJTSA-N 2 2 405.652 4.418 20 0 HIADLP CCCc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000535097636 932914313 /nfs/dbraw/zinc/91/43/13/932914313.db2.gz XGFNWPZHVKPKDJ-SFTDATJTSA-N 2 2 405.652 4.418 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)[C@H](C)C1 ZINC000535509229 933203180 /nfs/dbraw/zinc/20/31/80/933203180.db2.gz XAKLFDDYJFYXNH-MDASCCDHSA-N 2 2 413.375 4.302 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)[C@H](C)C1 ZINC000535509229 933203198 /nfs/dbraw/zinc/20/31/98/933203198.db2.gz XAKLFDDYJFYXNH-MDASCCDHSA-N 2 2 413.375 4.302 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)[C@@H](C)C1 ZINC000535509228 933204002 /nfs/dbraw/zinc/20/40/02/933204002.db2.gz XAKLFDDYJFYXNH-JVPBZIDWSA-N 2 2 413.375 4.302 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)[C@@H](C)C1 ZINC000535509228 933204015 /nfs/dbraw/zinc/20/40/15/933204015.db2.gz XAKLFDDYJFYXNH-JVPBZIDWSA-N 2 2 413.375 4.302 20 0 HIADLP CC(C)Oc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535645134 933285338 /nfs/dbraw/zinc/28/53/38/933285338.db2.gz WFRSQQRKBZTMCB-DHIUTWEWSA-N 2 2 416.610 4.275 20 0 HIADLP CC(C)Oc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535645134 933285352 /nfs/dbraw/zinc/28/53/52/933285352.db2.gz WFRSQQRKBZTMCB-DHIUTWEWSA-N 2 2 416.610 4.275 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535696304 933350627 /nfs/dbraw/zinc/35/06/27/933350627.db2.gz NQVCHZGYYFDFET-UHFFFAOYSA-N 2 2 414.553 4.309 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535696304 933350637 /nfs/dbraw/zinc/35/06/37/933350637.db2.gz NQVCHZGYYFDFET-UHFFFAOYSA-N 2 2 414.553 4.309 20 0 HIADLP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000535839377 933425003 /nfs/dbraw/zinc/42/50/03/933425003.db2.gz YGJDJIKXEYFKEB-WOJBJXKFSA-N 2 2 404.917 4.108 20 0 HIADLP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000535839374 933425157 /nfs/dbraw/zinc/42/51/57/933425157.db2.gz YGJDJIKXEYFKEB-PMACEKPBSA-N 2 2 404.917 4.108 20 0 HIADLP C[C@H](CCc1ccccc1F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849256 933430270 /nfs/dbraw/zinc/43/02/70/933430270.db2.gz VNUYJFPSKLMDAB-FOVJLYNBSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CCc1ccccc1F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849256 933430276 /nfs/dbraw/zinc/43/02/76/933430276.db2.gz VNUYJFPSKLMDAB-FOVJLYNBSA-N 2 2 417.613 4.190 20 0 HIADLP CN(C(=O)c1ccc(C(C)(C)C)s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850533 933432936 /nfs/dbraw/zinc/43/29/36/933432936.db2.gz DZQYRIYKPQVPOU-RBUKOAKNSA-N 2 2 405.652 4.455 20 0 HIADLP CN(C(=O)c1ccc(C(C)(C)C)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850533 933432940 /nfs/dbraw/zinc/43/29/40/933432940.db2.gz DZQYRIYKPQVPOU-RBUKOAKNSA-N 2 2 405.652 4.455 20 0 HIADLP CC[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537615993 938333685 /nfs/dbraw/zinc/33/36/85/938333685.db2.gz HNWXZHIOXQMOOT-XMMPIXPASA-N 2 2 409.574 4.378 20 0 HIADLP CC[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000537615993 938333687 /nfs/dbraw/zinc/33/36/87/938333687.db2.gz HNWXZHIOXQMOOT-XMMPIXPASA-N 2 2 409.574 4.378 20 0 HIADLP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2cccnc2)no1 ZINC000563286887 945167339 /nfs/dbraw/zinc/16/73/39/945167339.db2.gz YNXZPFSAZDWCKY-NYVOZVTQSA-N 2 2 405.546 4.329 20 0 HIADLP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2cccnc2)no1 ZINC000563286887 945167354 /nfs/dbraw/zinc/16/73/54/945167354.db2.gz YNXZPFSAZDWCKY-NYVOZVTQSA-N 2 2 405.546 4.329 20 0 HIADLP Brc1ccc(-n2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000537697260 938358089 /nfs/dbraw/zinc/35/80/89/938358089.db2.gz NTKOLFKWHZYYDZ-UTKZUKDTSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000537697260 938358092 /nfs/dbraw/zinc/35/80/92/938358092.db2.gz NTKOLFKWHZYYDZ-UTKZUKDTSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2)cc1 ZINC000537697260 938358094 /nfs/dbraw/zinc/35/80/94/938358094.db2.gz NTKOLFKWHZYYDZ-UTKZUKDTSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000537697260 938358095 /nfs/dbraw/zinc/35/80/95/938358095.db2.gz NTKOLFKWHZYYDZ-UTKZUKDTSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000537697263 938358203 /nfs/dbraw/zinc/35/82/03/938358203.db2.gz NTKOLFKWHZYYDZ-UWJYYQICSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000537697263 938358208 /nfs/dbraw/zinc/35/82/08/938358208.db2.gz NTKOLFKWHZYYDZ-UWJYYQICSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2)cc1 ZINC000537697263 938358212 /nfs/dbraw/zinc/35/82/12/938358212.db2.gz NTKOLFKWHZYYDZ-UWJYYQICSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000537697263 938358216 /nfs/dbraw/zinc/35/82/16/938358216.db2.gz NTKOLFKWHZYYDZ-UWJYYQICSA-N 2 2 415.379 4.084 20 0 HIADLP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2cccnc2)no1 ZINC000563286886 945168320 /nfs/dbraw/zinc/16/83/20/945168320.db2.gz YNXZPFSAZDWCKY-COPCDDAFSA-N 2 2 405.546 4.329 20 0 HIADLP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2cccnc2)no1 ZINC000563286886 945168330 /nfs/dbraw/zinc/16/83/30/945168330.db2.gz YNXZPFSAZDWCKY-COPCDDAFSA-N 2 2 405.546 4.329 20 0 HIADLP CN1CC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537945759 938428114 /nfs/dbraw/zinc/42/81/14/938428114.db2.gz YBOSHVNPAUSDBM-VGOFRKELSA-N 2 2 402.945 4.126 20 0 HIADLP COc1c(Cl)cccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538347279 938600088 /nfs/dbraw/zinc/60/00/88/938600088.db2.gz LMEJRWMMVIODDW-VQTJNVASSA-N 2 2 423.001 4.150 20 0 HIADLP COc1c(Cl)cccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538347279 938600091 /nfs/dbraw/zinc/60/00/91/938600091.db2.gz LMEJRWMMVIODDW-VQTJNVASSA-N 2 2 423.001 4.150 20 0 HIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(Br)c1 ZINC000538397919 938611336 /nfs/dbraw/zinc/61/13/36/938611336.db2.gz FICKXJCVBDTBGL-MRXNPFEDSA-N 2 2 419.363 4.141 20 0 HIADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000538418817 938616510 /nfs/dbraw/zinc/61/65/10/938616510.db2.gz VEGOPPWSPBTSPI-BEFAXECRSA-N 2 2 410.436 4.258 20 0 HIADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000538418817 938616513 /nfs/dbraw/zinc/61/65/13/938616513.db2.gz VEGOPPWSPBTSPI-BEFAXECRSA-N 2 2 410.436 4.258 20 0 HIADLP COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OCC(C)C ZINC000538426734 938617460 /nfs/dbraw/zinc/61/74/60/938617460.db2.gz RYQNRCYGXFUMQQ-UHFFFAOYSA-N 2 2 412.578 4.268 20 0 HIADLP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538502877 938637137 /nfs/dbraw/zinc/63/71/37/938637137.db2.gz OONNVZFRHHJEGQ-GGAORHGYSA-N 2 2 415.940 4.005 20 0 HIADLP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538502879 938637143 /nfs/dbraw/zinc/63/71/43/938637143.db2.gz OONNVZFRHHJEGQ-JTHBVZDNSA-N 2 2 415.940 4.005 20 0 HIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ncc(Br)s1 ZINC000538591064 938657100 /nfs/dbraw/zinc/65/71/00/938657100.db2.gz XFCBNFMWGMTGRS-GFCCVEGCSA-N 2 2 410.385 4.004 20 0 HIADLP CC[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538717890 938689732 /nfs/dbraw/zinc/68/97/32/938689732.db2.gz GHPAWEOMOCFOIW-UHFFFAOYSA-N 2 2 405.489 4.430 20 0 HIADLP CC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538717890 938689735 /nfs/dbraw/zinc/68/97/35/938689735.db2.gz GHPAWEOMOCFOIW-UHFFFAOYSA-N 2 2 405.489 4.430 20 0 HIADLP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720370 938690315 /nfs/dbraw/zinc/69/03/15/938690315.db2.gz VUBLNRDFLXNOGJ-TZMCWYRMSA-N 2 2 421.326 4.364 20 0 HIADLP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720370 938690316 /nfs/dbraw/zinc/69/03/16/938690316.db2.gz VUBLNRDFLXNOGJ-TZMCWYRMSA-N 2 2 421.326 4.364 20 0 HIADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720370 938690317 /nfs/dbraw/zinc/69/03/17/938690317.db2.gz VUBLNRDFLXNOGJ-TZMCWYRMSA-N 2 2 421.326 4.364 20 0 HIADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720370 938690318 /nfs/dbraw/zinc/69/03/18/938690318.db2.gz VUBLNRDFLXNOGJ-TZMCWYRMSA-N 2 2 421.326 4.364 20 0 HIADLP CCN1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539199102 938818574 /nfs/dbraw/zinc/81/85/74/938818574.db2.gz YFWABLDAYSUZND-RBBKRZOGSA-N 2 2 402.945 4.268 20 0 HIADLP COc1cc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)ccc1OC(F)F ZINC000539658177 938895263 /nfs/dbraw/zinc/89/52/63/938895263.db2.gz RWMHINBOKJDZGK-PBHICJAKSA-N 2 2 406.477 4.005 20 0 HIADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(Br)c1 ZINC000539660012 938895794 /nfs/dbraw/zinc/89/57/94/938895794.db2.gz RPLQIDXVWDGEBF-GOEBONIOSA-N 2 2 419.367 4.166 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4c3cccc4Br)[nH+]c2)C1 ZINC000539659595 938895895 /nfs/dbraw/zinc/89/58/95/938895895.db2.gz QKCJKGIQPFOFGI-DNVCBOLYSA-N 2 2 401.352 4.084 20 0 HIADLP C[C@@H](CC(=O)Nc1cccc(Cl)c1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539689624 938902218 /nfs/dbraw/zinc/90/22/18/938902218.db2.gz OQVGIEDPQNTCQG-INIZCTEOSA-N 2 2 415.969 4.095 20 0 HIADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000539851294 938957359 /nfs/dbraw/zinc/95/73/59/938957359.db2.gz XRHLMGXCFKQACW-GOSISDBHSA-N 2 2 400.485 4.334 20 0 HIADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000539851294 938957365 /nfs/dbraw/zinc/95/73/65/938957365.db2.gz XRHLMGXCFKQACW-GOSISDBHSA-N 2 2 400.485 4.334 20 0 HIADLP CC[C@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539889113 938967532 /nfs/dbraw/zinc/96/75/32/938967532.db2.gz UFDBJRJXWCIJPK-YADHBBJMSA-N 2 2 414.981 4.071 20 0 HIADLP CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539889113 938967537 /nfs/dbraw/zinc/96/75/37/938967537.db2.gz UFDBJRJXWCIJPK-YADHBBJMSA-N 2 2 414.981 4.071 20 0 HIADLP COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000540150622 939092991 /nfs/dbraw/zinc/09/29/91/939092991.db2.gz IARZIKSVYTYOCR-CLOONOSVSA-N 2 2 405.542 4.471 20 0 HIADLP CN(C(=O)Nc1ncc(C(C)(C)C)s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540555986 939304505 /nfs/dbraw/zinc/30/45/05/939304505.db2.gz WQBLUWIUMHIHSY-ROUUACIJSA-N 2 2 421.655 4.242 20 0 HIADLP CN(C(=O)Nc1ncc(C(C)(C)C)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540555986 939304507 /nfs/dbraw/zinc/30/45/07/939304507.db2.gz WQBLUWIUMHIHSY-ROUUACIJSA-N 2 2 421.655 4.242 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCOc4cc5c(cc43)CCC5)[nH+]c2)CC1 ZINC000540790475 939373582 /nfs/dbraw/zinc/37/35/82/939373582.db2.gz LIHNUEPEELAILA-HSZRJFAPSA-N 2 2 406.574 4.427 20 0 HIADLP CCOc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541250865 939487650 /nfs/dbraw/zinc/48/76/50/939487650.db2.gz CTVFZTDQTWVONF-LEWJYISDSA-N 2 2 422.013 4.148 20 0 HIADLP CCOc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541250865 939487651 /nfs/dbraw/zinc/48/76/51/939487651.db2.gz CTVFZTDQTWVONF-LEWJYISDSA-N 2 2 422.013 4.148 20 0 HIADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000541397470 939505292 /nfs/dbraw/zinc/50/52/92/939505292.db2.gz ILBVXXUHXPQWOG-HXUWFJFHSA-N 2 2 400.611 4.074 20 0 HIADLP CN(C(=O)Nc1ccc(-c2ccc[nH]2)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541449935 939519326 /nfs/dbraw/zinc/51/93/26/939519326.db2.gz PFOGUCZJDRMAPG-ZEQRLZLVSA-N 2 2 423.605 4.483 20 0 HIADLP CN(C(=O)Nc1ccc(-c2ccc[nH]2)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541449935 939519331 /nfs/dbraw/zinc/51/93/31/939519331.db2.gz PFOGUCZJDRMAPG-ZEQRLZLVSA-N 2 2 423.605 4.483 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)c2)CCO1 ZINC000541548356 939551659 /nfs/dbraw/zinc/55/16/59/939551659.db2.gz BWCBZGUZKDWNJC-CLOONOSVSA-N 2 2 405.517 4.321 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)c2)CCO1 ZINC000541548356 939551662 /nfs/dbraw/zinc/55/16/62/939551662.db2.gz BWCBZGUZKDWNJC-CLOONOSVSA-N 2 2 405.517 4.321 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cn3)cc2)CC1 ZINC000541552242 939553281 /nfs/dbraw/zinc/55/32/81/939553281.db2.gz YKXMSTCTJJLYFS-AREMUKBSSA-N 2 2 418.560 4.237 20 0 HIADLP COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)c1 ZINC000541601580 939565712 /nfs/dbraw/zinc/56/57/12/939565712.db2.gz IPRVQNVJBGNHHM-APWZRJJASA-N 2 2 413.587 4.339 20 0 HIADLP COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)c1 ZINC000541601580 939565714 /nfs/dbraw/zinc/56/57/14/939565714.db2.gz IPRVQNVJBGNHHM-APWZRJJASA-N 2 2 413.587 4.339 20 0 HIADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541665220 939595317 /nfs/dbraw/zinc/59/53/17/939595317.db2.gz HQKBNIOTSUPKIY-UHFFFAOYSA-N 2 2 417.557 4.121 20 0 HIADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000541769551 939626377 /nfs/dbraw/zinc/62/63/77/939626377.db2.gz IUCZAVZRVBPGRM-NFBKMPQASA-N 2 2 411.571 4.002 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3S(C)(=O)=O)cc2)C1 ZINC000541795350 939633571 /nfs/dbraw/zinc/63/35/71/939633571.db2.gz ZFFCGECCEBFGFR-KRWDZBQOSA-N 2 2 421.006 4.265 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3S(C)(=O)=O)cc2)C1 ZINC000541795350 939633572 /nfs/dbraw/zinc/63/35/72/939633572.db2.gz ZFFCGECCEBFGFR-KRWDZBQOSA-N 2 2 421.006 4.265 20 0 HIADLP FC(F)(F)Oc1cccc(N2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000542321969 939799784 /nfs/dbraw/zinc/79/97/84/939799784.db2.gz QZZYLJLFYPAEHR-CQSZACIVSA-N 2 2 408.449 4.201 20 0 HIADLP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000542336199 939802657 /nfs/dbraw/zinc/80/26/57/939802657.db2.gz PFAFMPHYBUDUQG-HSZRJFAPSA-N 2 2 420.601 4.228 20 0 HIADLP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000542336199 939802659 /nfs/dbraw/zinc/80/26/59/939802659.db2.gz PFAFMPHYBUDUQG-HSZRJFAPSA-N 2 2 420.601 4.228 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000542423481 939819406 /nfs/dbraw/zinc/81/94/06/939819406.db2.gz DLEPBESFIGDVGZ-UHFFFAOYSA-N 2 2 416.516 4.122 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000542423481 939819410 /nfs/dbraw/zinc/81/94/10/939819410.db2.gz DLEPBESFIGDVGZ-UHFFFAOYSA-N 2 2 416.516 4.122 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cnccn3)cc2)C[C@@H](C)O1 ZINC000542481843 939830922 /nfs/dbraw/zinc/83/09/22/939830922.db2.gz HMZJFLMBMYDBAX-RRQZXNHTSA-N 2 2 420.532 4.104 20 0 HIADLP COc1cc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc(Br)c1OC ZINC000543175960 939986241 /nfs/dbraw/zinc/98/62/41/939986241.db2.gz MOAGCGVHWRFEGY-UHFFFAOYSA-N 2 2 408.321 4.003 20 0 HIADLP COc1cc(Br)c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1OC ZINC000543244904 940007078 /nfs/dbraw/zinc/00/70/78/940007078.db2.gz LVUMQPROKKVHIW-UHFFFAOYSA-N 2 2 408.321 4.003 20 0 HIADLP Cc1cc(N2CCC([NH2+][C@@H](c3cccnc3)c3ccc(F)cc3F)CC2)nc(C)[nH+]1 ZINC000543405124 940054341 /nfs/dbraw/zinc/05/43/41/940054341.db2.gz VWHVQQMZYAELCO-QHCPKHFHSA-N 2 2 409.484 4.115 20 0 HIADLP CC[N@H+](C[C@H](O)COc1cc(C)ccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000543436552 940063655 /nfs/dbraw/zinc/06/36/55/940063655.db2.gz RAIUIIRVSYWVPS-FQEVSTJZSA-N 2 2 417.981 4.022 20 0 HIADLP CC[N@@H+](C[C@H](O)COc1cc(C)ccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000543436552 940063658 /nfs/dbraw/zinc/06/36/58/940063658.db2.gz RAIUIIRVSYWVPS-FQEVSTJZSA-N 2 2 417.981 4.022 20 0 HIADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000543988689 940285209 /nfs/dbraw/zinc/28/52/09/940285209.db2.gz WTSFDLXSCLOQEH-QZTJIDSGSA-N 2 2 402.970 4.295 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc2ccccc2c1 ZINC000543990179 940286496 /nfs/dbraw/zinc/28/64/96/940286496.db2.gz UOVBCKPPGQGVJV-FQEVSTJZSA-N 2 2 404.558 4.406 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543990135 940286687 /nfs/dbraw/zinc/28/66/87/940286687.db2.gz QNGHWQYCMQEKQW-OAQYLSRUSA-N 2 2 408.590 4.203 20 0 HIADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000544392076 940410536 /nfs/dbraw/zinc/41/05/36/940410536.db2.gz QDSHTPNRMGACGQ-IBGZPJMESA-N 2 2 404.558 4.381 20 0 HIADLP Cn1ccc([C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(Cl)cc2)n1 ZINC000544569307 940481251 /nfs/dbraw/zinc/48/12/51/940481251.db2.gz NMCTVVMBINATCW-DEOSSOPVSA-N 2 2 424.976 4.427 20 0 HIADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC3 ZINC000545189492 940555079 /nfs/dbraw/zinc/55/50/79/940555079.db2.gz RPPUZPQBJHJHLQ-LJQANCHMSA-N 2 2 400.526 4.111 20 0 HIADLP CSCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545431084 940569579 /nfs/dbraw/zinc/56/95/79/940569579.db2.gz NFPNVSWQWRWEDT-FCHUYYIVSA-N 2 2 418.651 4.351 20 0 HIADLP CSCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545431084 940569580 /nfs/dbraw/zinc/56/95/80/940569580.db2.gz NFPNVSWQWRWEDT-FCHUYYIVSA-N 2 2 418.651 4.351 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000548931549 941130215 /nfs/dbraw/zinc/13/02/15/941130215.db2.gz PMVVLEKECKDFBA-UKILVPOCSA-N 2 2 405.586 4.144 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000548931549 941130217 /nfs/dbraw/zinc/13/02/17/941130217.db2.gz PMVVLEKECKDFBA-UKILVPOCSA-N 2 2 405.586 4.144 20 0 HIADLP CC[N@@H+](Cc1c(C)nn(-c2ccccn2)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000549404187 941186576 /nfs/dbraw/zinc/18/65/76/941186576.db2.gz LUKLZFXXASBDNH-UHFFFAOYSA-N 2 2 404.562 4.018 20 0 HIADLP CC[N@H+](Cc1c(C)nn(-c2ccccn2)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000549404187 941186579 /nfs/dbraw/zinc/18/65/79/941186579.db2.gz LUKLZFXXASBDNH-UHFFFAOYSA-N 2 2 404.562 4.018 20 0 HIADLP CC[C@@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000549750132 941206380 /nfs/dbraw/zinc/20/63/80/941206380.db2.gz WXAGSNNOTCSPMQ-ROKPMTFOSA-N 2 2 409.574 4.145 20 0 HIADLP CC[C@@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000549750132 941206381 /nfs/dbraw/zinc/20/63/81/941206381.db2.gz WXAGSNNOTCSPMQ-ROKPMTFOSA-N 2 2 409.574 4.145 20 0 HIADLP CC[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000549750132 941206382 /nfs/dbraw/zinc/20/63/82/941206382.db2.gz WXAGSNNOTCSPMQ-ROKPMTFOSA-N 2 2 409.574 4.145 20 0 HIADLP CC[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000549750132 941206383 /nfs/dbraw/zinc/20/63/83/941206383.db2.gz WXAGSNNOTCSPMQ-ROKPMTFOSA-N 2 2 409.574 4.145 20 0 HIADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000550898046 941380552 /nfs/dbraw/zinc/38/05/52/941380552.db2.gz PQTWJFCVBAPRFY-HTAPYJJXSA-N 2 2 407.583 4.188 20 0 HIADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000550898046 941380557 /nfs/dbraw/zinc/38/05/57/941380557.db2.gz PQTWJFCVBAPRFY-HTAPYJJXSA-N 2 2 407.583 4.188 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000551030044 941397847 /nfs/dbraw/zinc/39/78/47/941397847.db2.gz DYGLFRCTKAIKIZ-SWHJIRTISA-N 3 2 410.581 4.064 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000551030044 941397851 /nfs/dbraw/zinc/39/78/51/941397851.db2.gz DYGLFRCTKAIKIZ-SWHJIRTISA-N 3 2 410.581 4.064 20 0 HIADLP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000551030044 941397856 /nfs/dbraw/zinc/39/78/56/941397856.db2.gz DYGLFRCTKAIKIZ-SWHJIRTISA-N 2 2 410.581 4.064 20 0 HIADLP O=C(CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000552129782 941590115 /nfs/dbraw/zinc/59/01/15/941590115.db2.gz KCWUURGMBZGDAU-UHFFFAOYSA-N 2 2 412.283 4.328 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000552549866 941705008 /nfs/dbraw/zinc/70/50/08/941705008.db2.gz BSIQXFZRRHGBIQ-BEFAXECRSA-N 2 2 422.411 4.329 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000552549869 941705629 /nfs/dbraw/zinc/70/56/29/941705629.db2.gz BSIQXFZRRHGBIQ-KXBFYZLASA-N 2 2 422.411 4.329 20 0 HIADLP CCCCCn1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c(C)n1 ZINC000552696314 941739752 /nfs/dbraw/zinc/73/97/52/941739752.db2.gz PTORHRADPXTAKI-UHFFFAOYSA-N 2 2 404.002 4.077 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553143240 941840041 /nfs/dbraw/zinc/84/00/41/941840041.db2.gz DFLLRTJGWWBSOH-OFNKIYASSA-N 2 2 402.542 4.055 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553143240 941840042 /nfs/dbraw/zinc/84/00/42/941840042.db2.gz DFLLRTJGWWBSOH-OFNKIYASSA-N 2 2 402.542 4.055 20 0 HIADLP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000553238318 941854723 /nfs/dbraw/zinc/85/47/23/941854723.db2.gz AZALMGRKOBVVLI-JOCHJYFZSA-N 2 2 411.933 4.432 20 0 HIADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000553359118 941872809 /nfs/dbraw/zinc/87/28/09/941872809.db2.gz UXDPFMRLPMDGOF-XLIONFOSSA-N 2 2 421.614 4.483 20 0 HIADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553497727 941896145 /nfs/dbraw/zinc/89/61/45/941896145.db2.gz HGLFZSONWPWYKO-ISKFKSNPSA-N 2 2 416.569 4.302 20 0 HIADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553497727 941896148 /nfs/dbraw/zinc/89/61/48/941896148.db2.gz HGLFZSONWPWYKO-ISKFKSNPSA-N 2 2 416.569 4.302 20 0 HIADLP CCC[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000553555851 941908294 /nfs/dbraw/zinc/90/82/94/941908294.db2.gz CUNAFOIKHGITKK-RPWUZVMVSA-N 2 2 416.569 4.445 20 0 HIADLP CCC[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000553555851 941908297 /nfs/dbraw/zinc/90/82/97/941908297.db2.gz CUNAFOIKHGITKK-RPWUZVMVSA-N 2 2 416.569 4.445 20 0 HIADLP COc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1C ZINC000554883483 942307087 /nfs/dbraw/zinc/30/70/87/942307087.db2.gz GBWPCIYJVSKHKQ-UHFFFAOYSA-N 2 2 404.308 4.258 20 0 HIADLP COc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1C ZINC000554883483 942307089 /nfs/dbraw/zinc/30/70/89/942307089.db2.gz GBWPCIYJVSKHKQ-UHFFFAOYSA-N 2 2 404.308 4.258 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000555040590 942367038 /nfs/dbraw/zinc/36/70/38/942367038.db2.gz RRRWLIFWMVAVIH-JYFHCDHNSA-N 2 2 402.538 4.452 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000555040590 942367040 /nfs/dbraw/zinc/36/70/40/942367040.db2.gz RRRWLIFWMVAVIH-JYFHCDHNSA-N 2 2 402.538 4.452 20 0 HIADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000557584366 943220315 /nfs/dbraw/zinc/22/03/15/943220315.db2.gz JFSOFLOHXCXUGR-JOCHJYFZSA-N 2 2 420.582 4.162 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000558107041 943381090 /nfs/dbraw/zinc/38/10/90/943381090.db2.gz ICUGHGSXOMQXEA-IBGZPJMESA-N 2 2 403.958 4.035 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000558107041 943381094 /nfs/dbraw/zinc/38/10/94/943381094.db2.gz ICUGHGSXOMQXEA-IBGZPJMESA-N 2 2 403.958 4.035 20 0 HIADLP Cc1ccc2c(C[NH+]3CCC4(C[C@@H]4[N@H+](C)Cc4nccs4)CC3)ccc(O)c2n1 ZINC000558897320 943732458 /nfs/dbraw/zinc/73/24/58/943732458.db2.gz QOAULQXCYSUUBS-FQEVSTJZSA-N 2 2 408.571 4.192 20 0 HIADLP Cc1ccc2c(C[NH+]3CCC4(C[C@@H]4[N@@H+](C)Cc4nccs4)CC3)ccc(O)c2n1 ZINC000558897320 943732473 /nfs/dbraw/zinc/73/24/73/943732473.db2.gz QOAULQXCYSUUBS-FQEVSTJZSA-N 2 2 408.571 4.192 20 0 HIADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000560579949 944262257 /nfs/dbraw/zinc/26/22/57/944262257.db2.gz QIBHDHPFLDUEHW-UHFFFAOYSA-N 2 2 405.586 4.364 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000561206893 944514853 /nfs/dbraw/zinc/51/48/53/944514853.db2.gz YMTYIHKHFYXQOU-XZOQPEGZSA-N 2 2 402.542 4.193 20 0 HIADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000561782292 944795711 /nfs/dbraw/zinc/79/57/11/944795711.db2.gz MOFJSYPAPVKGQG-SFHVURJKSA-N 2 2 422.342 4.091 20 0 HIADLP COc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(OCc2cccnc2)c1 ZINC000564302314 945505699 /nfs/dbraw/zinc/50/56/99/945505699.db2.gz AFEVBYOBTSIJEX-UHFFFAOYSA-N 2 2 414.509 4.204 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000564439669 945588521 /nfs/dbraw/zinc/58/85/21/945588521.db2.gz TWMHSSLOILNNQT-LJQANCHMSA-N 2 2 423.582 4.499 20 0 HIADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)nn1 ZINC000564679951 945725748 /nfs/dbraw/zinc/72/57/48/945725748.db2.gz JLYUNSFMQGMOLJ-UHFFFAOYSA-N 2 2 401.514 4.091 20 0 HIADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)nn1 ZINC000564679951 945725759 /nfs/dbraw/zinc/72/57/59/945725759.db2.gz JLYUNSFMQGMOLJ-UHFFFAOYSA-N 2 2 401.514 4.091 20 0 HIADLP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccc(F)cc1 ZINC000566523311 946029446 /nfs/dbraw/zinc/02/94/46/946029446.db2.gz NJSDCAXDNIDFBC-SIKLNZKXSA-N 2 2 412.553 4.051 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N(C)[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000385 946211497 /nfs/dbraw/zinc/21/14/97/946211497.db2.gz YWTBQNVRCYCHNH-RTBURBONSA-N 2 2 417.594 4.169 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N(C)[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000385 946211509 /nfs/dbraw/zinc/21/15/09/946211509.db2.gz YWTBQNVRCYCHNH-RTBURBONSA-N 2 2 417.594 4.169 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000385 946211521 /nfs/dbraw/zinc/21/15/21/946211521.db2.gz YWTBQNVRCYCHNH-RTBURBONSA-N 2 2 417.594 4.169 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000385 946211530 /nfs/dbraw/zinc/21/15/30/946211530.db2.gz YWTBQNVRCYCHNH-RTBURBONSA-N 2 2 417.594 4.169 20 0 HIADLP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc(Oc5ccccc5)nn4)C[C@@H]3C2)cc1 ZINC000568970746 946785411 /nfs/dbraw/zinc/78/54/11/946785411.db2.gz DVKLMEDENNQERC-VXKWHMMOSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc(Oc5ccccc5)nn4)C[C@@H]3C2)cc1 ZINC000568970746 946785441 /nfs/dbraw/zinc/78/54/41/946785441.db2.gz DVKLMEDENNQERC-VXKWHMMOSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc(Oc5ccccc5)nn4)C[C@@H]3C2)cc1 ZINC000568970746 946785469 /nfs/dbraw/zinc/78/54/69/946785469.db2.gz DVKLMEDENNQERC-VXKWHMMOSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc(Oc5ccccc5)nn4)C[C@@H]3C2)cc1 ZINC000568970746 946785491 /nfs/dbraw/zinc/78/54/91/946785491.db2.gz DVKLMEDENNQERC-VXKWHMMOSA-N 2 2 400.526 4.223 20 0 HIADLP Brc1ccc(-c2c[nH]c(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)n2)cc1 ZINC000569394380 946865918 /nfs/dbraw/zinc/86/59/18/946865918.db2.gz UNEACTMGDNWNMH-UHFFFAOYSA-N 2 2 422.330 4.374 20 0 HIADLP Cc1c(Br)cc(C[N@H+](C)CCCn2cc[nH+]c2)cc1Br ZINC000569410601 946870618 /nfs/dbraw/zinc/87/06/18/946870618.db2.gz BSAAKEUPTOLYLW-UHFFFAOYSA-N 2 2 401.146 4.239 20 0 HIADLP Cc1c(Br)cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1Br ZINC000569410601 946870620 /nfs/dbraw/zinc/87/06/20/946870620.db2.gz BSAAKEUPTOLYLW-UHFFFAOYSA-N 2 2 401.146 4.239 20 0 HIADLP O=C(c1ccc2c[nH+]cn2c1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000570532170 947277172 /nfs/dbraw/zinc/27/71/72/947277172.db2.gz DUOLQEMERSECOF-UHFFFAOYSA-N 2 2 420.513 4.160 20 0 HIADLP Cc1cc([C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c2cccc(Cl)c2)c(C)s1 ZINC000571724252 947765906 /nfs/dbraw/zinc/76/59/06/947765906.db2.gz BIIIUVRPBKOTEX-WOJBJXKFSA-N 2 2 405.995 4.037 20 0 HIADLP Cc1cc([C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c2cccc(Cl)c2)c(C)s1 ZINC000571724252 947765918 /nfs/dbraw/zinc/76/59/18/947765918.db2.gz BIIIUVRPBKOTEX-WOJBJXKFSA-N 2 2 405.995 4.037 20 0 HIADLP CN(C(=O)Nc1cccc2cccnc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000572665022 947972625 /nfs/dbraw/zinc/97/26/25/947972625.db2.gz BMADXICRZSGCHU-YADHBBJMSA-N 2 2 409.578 4.036 20 0 HIADLP CN(C(=O)Nc1cccc2cccnc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000572665022 947972628 /nfs/dbraw/zinc/97/26/28/947972628.db2.gz BMADXICRZSGCHU-YADHBBJMSA-N 2 2 409.578 4.036 20 0 HIADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cc(C(C)(C)C)on3)CC2)c1C ZINC000572767058 948004864 /nfs/dbraw/zinc/00/48/64/948004864.db2.gz YRLSZXDRVQYZJA-UHFFFAOYSA-N 2 2 400.567 4.089 20 0 HIADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cc(C(C)(C)C)on3)CC2)c1C ZINC000572767058 948004877 /nfs/dbraw/zinc/00/48/77/948004877.db2.gz YRLSZXDRVQYZJA-UHFFFAOYSA-N 2 2 400.567 4.089 20 0 HIADLP COc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1OC(F)F ZINC000573532750 948233762 /nfs/dbraw/zinc/23/37/62/948233762.db2.gz VEYGXUSCEPVXPF-QUCCMNQESA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1OC(F)F ZINC000573532750 948233775 /nfs/dbraw/zinc/23/37/75/948233775.db2.gz VEYGXUSCEPVXPF-QUCCMNQESA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1OC(F)F ZINC000573532750 948233784 /nfs/dbraw/zinc/23/37/84/948233784.db2.gz VEYGXUSCEPVXPF-QUCCMNQESA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1OC(F)F ZINC000573532750 948233797 /nfs/dbraw/zinc/23/37/97/948233797.db2.gz VEYGXUSCEPVXPF-QUCCMNQESA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1OC(F)F ZINC000573532752 948234702 /nfs/dbraw/zinc/23/47/02/948234702.db2.gz VEYGXUSCEPVXPF-UYAOXDASSA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1OC(F)F ZINC000573532752 948234716 /nfs/dbraw/zinc/23/47/16/948234716.db2.gz VEYGXUSCEPVXPF-UYAOXDASSA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1OC(F)F ZINC000573532752 948234729 /nfs/dbraw/zinc/23/47/29/948234729.db2.gz VEYGXUSCEPVXPF-UYAOXDASSA-N 2 2 402.485 4.251 20 0 HIADLP COc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1OC(F)F ZINC000573532752 948234748 /nfs/dbraw/zinc/23/47/48/948234748.db2.gz VEYGXUSCEPVXPF-UYAOXDASSA-N 2 2 402.485 4.251 20 0 HIADLP CC[NH+](CC)CCOc1ccccc1-c1noc(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000573887627 948321748 /nfs/dbraw/zinc/32/17/48/948321748.db2.gz AQLMEFBOYXLCDQ-UHFFFAOYSA-N 2 2 417.513 4.369 20 0 HIADLP C[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574123069 948372841 /nfs/dbraw/zinc/37/28/41/948372841.db2.gz ITTFKSATFWYYFW-SJLPKXTDSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574123069 948372847 /nfs/dbraw/zinc/37/28/47/948372847.db2.gz ITTFKSATFWYYFW-SJLPKXTDSA-N 2 2 413.363 4.097 20 0 HIADLP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000575825416 948726777 /nfs/dbraw/zinc/72/67/77/948726777.db2.gz KIKMJRWHDZEZGP-HXUWFJFHSA-N 2 2 424.589 4.209 20 0 HIADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c2c(C)cccc12 ZINC001164838534 720513248 /nfs/dbraw/zinc/51/32/48/720513248.db2.gz ROBASVYZJPZOLY-MQSCRBSSSA-N 2 2 403.574 4.426 20 0 HIADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c2c(C)cccc12 ZINC001164838534 720513253 /nfs/dbraw/zinc/51/32/53/720513253.db2.gz ROBASVYZJPZOLY-MQSCRBSSSA-N 2 2 403.574 4.426 20 0 HIADLP Cc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(C(C)(C)C)[nH+]1 ZINC001164836951 720716330 /nfs/dbraw/zinc/71/63/30/720716330.db2.gz CAPUDWCTMUDEKS-OAQYLSRUSA-N 2 2 408.590 4.342 20 0 HIADLP Cc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C(C)(C)C)[nH+]1 ZINC001164836951 720716336 /nfs/dbraw/zinc/71/63/36/720716336.db2.gz CAPUDWCTMUDEKS-OAQYLSRUSA-N 2 2 408.590 4.342 20 0 HIADLP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc(C4CC4)cc[nH+]2)C3)c1 ZINC001164757787 720894666 /nfs/dbraw/zinc/89/46/66/720894666.db2.gz VPJRCLLKZHWDGB-AOYPEHQESA-N 2 2 418.585 4.109 20 0 HIADLP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(C4CC4)cc[nH+]2)C3)c1 ZINC001164757787 720894667 /nfs/dbraw/zinc/89/46/67/720894667.db2.gz VPJRCLLKZHWDGB-AOYPEHQESA-N 2 2 418.585 4.109 20 0 HIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c12 ZINC001164768910 721297870 /nfs/dbraw/zinc/29/78/70/721297870.db2.gz JYEZGQJCPVSHQC-UHFFFAOYSA-N 2 2 401.558 4.019 20 0 HIADLP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c12 ZINC001164768910 721297875 /nfs/dbraw/zinc/29/78/75/721297875.db2.gz JYEZGQJCPVSHQC-UHFFFAOYSA-N 2 2 401.558 4.019 20 0 HIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4c(C)cccc43)C2)C1 ZINC001164777852 721351511 /nfs/dbraw/zinc/35/15/11/721351511.db2.gz JDNNLFFEQMJMNE-RUZDIDTESA-N 2 2 420.557 4.267 20 0 HIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4c(C)cccc43)C2)C1 ZINC001164777852 721351513 /nfs/dbraw/zinc/35/15/13/721351513.db2.gz JDNNLFFEQMJMNE-RUZDIDTESA-N 2 2 420.557 4.267 20 0 HIADLP Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc(C(C)C)[nH+]1 ZINC001164907452 721585596 /nfs/dbraw/zinc/58/55/96/721585596.db2.gz SZNJXAUPJLNXFB-OAQYLSRUSA-N 2 2 401.505 4.041 20 0 HIADLP Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(C(C)C)[nH+]1 ZINC001164907452 721585599 /nfs/dbraw/zinc/58/55/99/721585599.db2.gz SZNJXAUPJLNXFB-OAQYLSRUSA-N 2 2 401.505 4.041 20 0 HIADLP COc1ccc2c[nH+]c(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)cc2c1 ZINC001165021190 721842402 /nfs/dbraw/zinc/84/24/02/721842402.db2.gz HAPUYUQMXJXQKG-UHFFFAOYSA-N 2 2 421.541 4.361 20 0 HIADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000026812606 847201571 /nfs/dbraw/zinc/20/15/71/847201571.db2.gz VYWLGGHPBIATPI-MRXNPFEDSA-N 2 2 405.995 4.003 20 0 HIADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026812606 847201586 /nfs/dbraw/zinc/20/15/86/847201586.db2.gz VYWLGGHPBIATPI-MRXNPFEDSA-N 2 2 405.995 4.003 20 0 HIADLP CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)CC1 ZINC000038831763 848180841 /nfs/dbraw/zinc/18/08/41/848180841.db2.gz ZRTJNWNBUANNQZ-UHFFFAOYSA-N 2 2 402.542 4.093 20 0 HIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000041651944 848238256 /nfs/dbraw/zinc/23/82/56/848238256.db2.gz HPJBSGAKWICOQK-NEPJUHHUSA-N 2 2 402.174 4.347 20 0 HIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000041651944 848238262 /nfs/dbraw/zinc/23/82/62/848238262.db2.gz HPJBSGAKWICOQK-NEPJUHHUSA-N 2 2 402.174 4.347 20 0 HIADLP COc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1OCc1cccnc1 ZINC000042228092 848305473 /nfs/dbraw/zinc/30/54/73/848305473.db2.gz KMXXGZFXSRBXBP-UHFFFAOYSA-N 2 2 414.509 4.204 20 0 HIADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517555 848434939 /nfs/dbraw/zinc/43/49/39/848434939.db2.gz XCHXFYKKXROJPQ-HXUWFJFHSA-N 2 2 413.591 4.088 20 0 HIADLP O=C(NCCCn1cc[nH+]c1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000047597455 849081356 /nfs/dbraw/zinc/08/13/56/849081356.db2.gz KAEAJOCIPGSUKZ-UHFFFAOYSA-N 2 2 417.557 4.035 20 0 HIADLP CCC(CC)[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051760638 849513193 /nfs/dbraw/zinc/51/31/93/849513193.db2.gz AZUOZNNMGCLEBI-QHCPKHFHSA-N 2 2 400.611 4.022 20 0 HIADLP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)n1cc[nH+]c1)[NH+](C)C ZINC000063119216 851618498 /nfs/dbraw/zinc/61/84/98/851618498.db2.gz WEXHZDYOHNVPRI-KXBFYZLASA-N 2 2 411.377 4.366 20 0 HIADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1OCc1cccnc1 ZINC000063548751 851712136 /nfs/dbraw/zinc/71/21/36/851712136.db2.gz ADXMSWIMCWOMRY-UHFFFAOYSA-N 2 2 418.472 4.284 20 0 HIADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1C ZINC000065304312 852102362 /nfs/dbraw/zinc/10/23/62/852102362.db2.gz CDRUPRGWDRGEHK-ROUUACIJSA-N 2 2 424.589 4.184 20 0 HIADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000195731873 853782636 /nfs/dbraw/zinc/78/26/36/853782636.db2.gz PNHAZNMEAFWHBX-HSZRJFAPSA-N 2 2 400.526 4.490 20 0 HIADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000195731873 853782642 /nfs/dbraw/zinc/78/26/42/853782642.db2.gz PNHAZNMEAFWHBX-HSZRJFAPSA-N 2 2 400.526 4.490 20 0 HIADLP Brc1ccc2c(c1)C=C(C[NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)CO2 ZINC000236632711 853904832 /nfs/dbraw/zinc/90/48/32/853904832.db2.gz CROYVRYQOHCGLG-UHFFFAOYSA-N 2 2 410.315 4.260 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000236853456 853929085 /nfs/dbraw/zinc/92/90/85/853929085.db2.gz BXGCXJWXLKSAOC-SFHVURJKSA-N 2 2 408.521 4.473 20 0 HIADLP C[NH+](C)Cc1cc(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)ccc1F ZINC000237065239 853958844 /nfs/dbraw/zinc/95/88/44/853958844.db2.gz MEQSMGJJOOVZPG-UHFFFAOYSA-N 2 2 417.326 4.330 20 0 HIADLP COc1ccc(-c2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4C)nc3)o2)c([N+](=O)[O-])c1 ZINC000237421068 854029733 /nfs/dbraw/zinc/02/97/33/854029733.db2.gz LHOZLITXRNRBSO-UHFFFAOYSA-N 2 2 419.441 4.042 20 0 HIADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c2)cc1 ZINC000237495212 854045052 /nfs/dbraw/zinc/04/50/52/854045052.db2.gz MAHAVLUFKDQLRC-UHFFFAOYSA-N 2 2 412.493 4.423 20 0 HIADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000237523549 854049328 /nfs/dbraw/zinc/04/93/28/854049328.db2.gz MCVUYSNZMFHIMP-OAHLLOKOSA-N 2 2 402.420 4.398 20 0 HIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)o1 ZINC000237524461 854049467 /nfs/dbraw/zinc/04/94/67/854049467.db2.gz DIMPNGPSFIJCML-UHFFFAOYSA-N 2 2 424.516 4.395 20 0 HIADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303040872 854735119 /nfs/dbraw/zinc/73/51/19/854735119.db2.gz PVUOWIOIDVXYJR-BGYRXZFFSA-N 2 2 424.589 4.069 20 0 HIADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303040872 854735124 /nfs/dbraw/zinc/73/51/24/854735124.db2.gz PVUOWIOIDVXYJR-BGYRXZFFSA-N 2 2 424.589 4.069 20 0 HIADLP CC[NH+](C)Cc1cccc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303040872 854735134 /nfs/dbraw/zinc/73/51/34/854735134.db2.gz PVUOWIOIDVXYJR-BGYRXZFFSA-N 2 2 424.589 4.069 20 0 HIADLP CC[NH+](C)Cc1cccc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303040872 854735141 /nfs/dbraw/zinc/73/51/41/854735141.db2.gz PVUOWIOIDVXYJR-BGYRXZFFSA-N 2 2 424.589 4.069 20 0 HIADLP CCCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303713716 855147506 /nfs/dbraw/zinc/14/75/06/855147506.db2.gz UUWJJSDWKOXNFQ-DEOSSOPVSA-N 2 2 402.542 4.389 20 0 HIADLP CCCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303713716 855147507 /nfs/dbraw/zinc/14/75/07/855147507.db2.gz UUWJJSDWKOXNFQ-DEOSSOPVSA-N 2 2 402.542 4.389 20 0 HIADLP Cc1c(O)ccc2c(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc12 ZINC000303758529 855178858 /nfs/dbraw/zinc/17/88/58/855178858.db2.gz NTLMNSLFRMFGBJ-DYESRHJHSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1c(O)ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc12 ZINC000303758529 855178861 /nfs/dbraw/zinc/17/88/61/855178861.db2.gz NTLMNSLFRMFGBJ-DYESRHJHSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1c(O)ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc12 ZINC000303758529 855178862 /nfs/dbraw/zinc/17/88/62/855178862.db2.gz NTLMNSLFRMFGBJ-DYESRHJHSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1c(O)ccc2c(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc12 ZINC000303758529 855178865 /nfs/dbraw/zinc/17/88/65/855178865.db2.gz NTLMNSLFRMFGBJ-DYESRHJHSA-N 2 2 406.526 4.292 20 0 HIADLP COc1ccc2cc([C@H](C)C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)ccc2c1 ZINC000303974462 855331544 /nfs/dbraw/zinc/33/15/44/855331544.db2.gz VAHXNPRIDCTBCI-FQEVSTJZSA-N 2 2 423.601 4.018 20 0 HIADLP C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383063029 855437435 /nfs/dbraw/zinc/43/74/35/855437435.db2.gz LZMBHKCYPALGAY-SFHVURJKSA-N 2 2 418.335 4.311 20 0 HIADLP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383063029 855437439 /nfs/dbraw/zinc/43/74/39/855437439.db2.gz LZMBHKCYPALGAY-SFHVURJKSA-N 2 2 418.335 4.311 20 0 HIADLP C[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383063029 855437445 /nfs/dbraw/zinc/43/74/45/855437445.db2.gz LZMBHKCYPALGAY-SFHVURJKSA-N 2 2 418.335 4.311 20 0 HIADLP C[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383063029 855437452 /nfs/dbraw/zinc/43/74/52/855437452.db2.gz LZMBHKCYPALGAY-SFHVURJKSA-N 2 2 418.335 4.311 20 0 HIADLP CN(C(=O)CC1CC(c2ccccc2)C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409855111 855689726 /nfs/dbraw/zinc/68/97/26/855689726.db2.gz UVGMJQMRGUULMW-ZGSFMGIESA-N 2 2 411.634 4.366 20 0 HIADLP CN(C(=O)CC1CC(c2ccccc2)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409855111 855689728 /nfs/dbraw/zinc/68/97/28/855689728.db2.gz UVGMJQMRGUULMW-ZGSFMGIESA-N 2 2 411.634 4.366 20 0 HIADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000426292618 856226266 /nfs/dbraw/zinc/22/62/66/856226266.db2.gz FLMWKLNNFCNSLU-ZEQRLZLVSA-N 2 2 417.557 4.063 20 0 HIADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000426292618 856226279 /nfs/dbraw/zinc/22/62/79/856226279.db2.gz FLMWKLNNFCNSLU-ZEQRLZLVSA-N 2 2 417.557 4.063 20 0 HIADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)c2C1 ZINC000427049956 856611183 /nfs/dbraw/zinc/61/11/83/856611183.db2.gz UFBFCVJAGSDLPD-UHFFFAOYSA-N 2 2 411.456 4.429 20 0 HIADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)c2C1 ZINC000427049956 856611190 /nfs/dbraw/zinc/61/11/90/856611190.db2.gz UFBFCVJAGSDLPD-UHFFFAOYSA-N 2 2 411.456 4.429 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000427853328 856982581 /nfs/dbraw/zinc/98/25/81/856982581.db2.gz WPYHWYDVYTWEKQ-XXBNENTESA-N 2 2 415.603 4.154 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000427853328 856982588 /nfs/dbraw/zinc/98/25/88/856982588.db2.gz WPYHWYDVYTWEKQ-XXBNENTESA-N 2 2 415.603 4.154 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCCc4ncc(C(F)(F)F)cc43)[nH+]c2)C1 ZINC000427859539 856984932 /nfs/dbraw/zinc/98/49/32/856984932.db2.gz OKLSBQFQBDJWTM-QFBILLFUSA-N 2 2 405.468 4.125 20 0 HIADLP Fc1cccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccc(Br)c2)c1 ZINC000427866094 856986907 /nfs/dbraw/zinc/98/69/07/856986907.db2.gz OZCROSYHZBQHAM-QUCCMNQESA-N 2 2 400.295 4.479 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000428260262 857131211 /nfs/dbraw/zinc/13/12/11/857131211.db2.gz MMGKXIZGQDTESQ-UGKGYDQZSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000428260262 857131214 /nfs/dbraw/zinc/13/12/14/857131214.db2.gz MMGKXIZGQDTESQ-UGKGYDQZSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2)cc1 ZINC000428260262 857131218 /nfs/dbraw/zinc/13/12/18/857131218.db2.gz MMGKXIZGQDTESQ-UGKGYDQZSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000428260262 857131221 /nfs/dbraw/zinc/13/12/21/857131221.db2.gz MMGKXIZGQDTESQ-UGKGYDQZSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)Oc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000428552088 857262622 /nfs/dbraw/zinc/26/26/22/857262622.db2.gz LVEIDDJADAWXPH-GOSISDBHSA-N 2 2 410.892 4.322 20 0 HIADLP FC(F)Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000428552088 857262637 /nfs/dbraw/zinc/26/26/37/857262637.db2.gz LVEIDDJADAWXPH-GOSISDBHSA-N 2 2 410.892 4.322 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000428614196 857278376 /nfs/dbraw/zinc/27/83/76/857278376.db2.gz CXCGMJALJUSDSB-RXVVDRJESA-N 2 2 417.623 4.012 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000428614196 857278381 /nfs/dbraw/zinc/27/83/81/857278381.db2.gz CXCGMJALJUSDSB-RXVVDRJESA-N 2 2 417.623 4.012 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000428765775 857325582 /nfs/dbraw/zinc/32/55/82/857325582.db2.gz DXQGOZWQFFDTLD-WOJBJXKFSA-N 2 2 423.605 4.039 20 0 HIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2)cc1 ZINC000429686673 857834540 /nfs/dbraw/zinc/83/45/40/857834540.db2.gz PFCRRBKPQUIGSF-JOCHJYFZSA-N 2 2 404.558 4.033 20 0 HIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2)cc1 ZINC000429686673 857834543 /nfs/dbraw/zinc/83/45/43/857834543.db2.gz PFCRRBKPQUIGSF-JOCHJYFZSA-N 2 2 404.558 4.033 20 0 HIADLP Cc1cc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1-c1ccccc1 ZINC000430210692 858083882 /nfs/dbraw/zinc/08/38/82/858083882.db2.gz VDGAIKDQKAHKLQ-UHFFFAOYSA-N 2 2 420.601 4.020 20 0 HIADLP C[C@H]1C[N@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCCO1 ZINC000432422187 859157677 /nfs/dbraw/zinc/15/76/77/859157677.db2.gz SJBDGLNDRVGKOR-AVRDEDQJSA-N 2 2 404.501 4.468 20 0 HIADLP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCCO1 ZINC000432422187 859157684 /nfs/dbraw/zinc/15/76/84/859157684.db2.gz SJBDGLNDRVGKOR-AVRDEDQJSA-N 2 2 404.501 4.468 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000433174386 859553860 /nfs/dbraw/zinc/55/38/60/859553860.db2.gz IZZBLSMOCHQYLW-FQEVSTJZSA-N 2 2 421.585 4.393 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000433174386 859553869 /nfs/dbraw/zinc/55/38/69/859553869.db2.gz IZZBLSMOCHQYLW-FQEVSTJZSA-N 2 2 421.585 4.393 20 0 HIADLP CCC(CC)(CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000434188610 860177186 /nfs/dbraw/zinc/17/71/86/860177186.db2.gz IQBZITFAPPHDQY-DENIHFKCSA-N 2 2 410.562 4.154 20 0 HIADLP Cc1ccc(-c2ccc(Cl)cc2NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000434211898 860199102 /nfs/dbraw/zinc/19/91/02/860199102.db2.gz ORUFWGAXVFNMSR-UHFFFAOYSA-N 2 2 418.969 4.398 20 0 HIADLP Cc1ccc(-c2ccc(Cl)cc2NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000434211898 860199105 /nfs/dbraw/zinc/19/91/05/860199105.db2.gz ORUFWGAXVFNMSR-UHFFFAOYSA-N 2 2 418.969 4.398 20 0 HIADLP C[N@H+](Cc1ccccc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000434270753 860243251 /nfs/dbraw/zinc/24/32/51/860243251.db2.gz MTLXFBFHLFULGF-XMMPIXPASA-N 2 2 422.573 4.209 20 0 HIADLP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000434270753 860243258 /nfs/dbraw/zinc/24/32/58/860243258.db2.gz MTLXFBFHLFULGF-XMMPIXPASA-N 2 2 422.573 4.209 20 0 HIADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434660577 860448952 /nfs/dbraw/zinc/44/89/52/860448952.db2.gz AFKHCHILORUEPR-HNNXBMFYSA-N 2 2 418.488 4.027 20 0 HIADLP COc1ccc(Br)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434682390 860458235 /nfs/dbraw/zinc/45/82/35/860458235.db2.gz BYTFHMYYTAUOAP-UHFFFAOYSA-N 2 2 404.352 4.370 20 0 HIADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cc2ccccc2o1 ZINC000434685070 860459743 /nfs/dbraw/zinc/45/97/43/860459743.db2.gz MGCYMKRDZUKIEF-QZTJIDSGSA-N 2 2 420.557 4.411 20 0 HIADLP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690412 860463050 /nfs/dbraw/zinc/46/30/50/860463050.db2.gz GYKFJARQYMFROD-QFIPXVFZSA-N 2 2 424.589 4.065 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434692422 860464154 /nfs/dbraw/zinc/46/41/54/860464154.db2.gz XSRQEPTYXNKWFR-HNNXBMFYSA-N 2 2 418.488 4.027 20 0 HIADLP Nc1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc2sc3c(c21)CCCC3 ZINC000434691212 860464401 /nfs/dbraw/zinc/46/44/01/860464401.db2.gz OXGVCHAOJCJAGG-UHFFFAOYSA-N 2 2 422.602 4.065 20 0 HIADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)cc1C ZINC000434906340 860548764 /nfs/dbraw/zinc/54/87/64/860548764.db2.gz UBBSPDQTSJXCSY-FCHUYYIVSA-N 2 2 416.610 4.113 20 0 HIADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)cc1C ZINC000434906340 860548770 /nfs/dbraw/zinc/54/87/70/860548770.db2.gz UBBSPDQTSJXCSY-FCHUYYIVSA-N 2 2 416.610 4.113 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2cccc(-c3cccs3)c2)([NH+]2CCCCC2)CC1 ZINC000438191177 863616348 /nfs/dbraw/zinc/61/63/48/863616348.db2.gz WZFJABQQYMKYEA-UHFFFAOYSA-N 2 2 412.603 4.487 20 0 HIADLP C[NH+](C)CCOc1cccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000438222482 863656039 /nfs/dbraw/zinc/65/60/39/863656039.db2.gz AUVMJHFTIXRNOA-NRFANRHFSA-N 2 2 410.493 4.153 20 0 HIADLP C[NH+](C)CCOc1cccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000438222482 863656058 /nfs/dbraw/zinc/65/60/58/863656058.db2.gz AUVMJHFTIXRNOA-NRFANRHFSA-N 2 2 410.493 4.153 20 0 HIADLP CC(C)Sc1c(Cl)cccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000438255770 863721089 /nfs/dbraw/zinc/72/10/89/863721089.db2.gz IACKAXKONAFEDE-UHFFFAOYSA-N 2 2 413.031 4.330 20 0 HIADLP CC(C)Sc1c(Cl)cccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000438255770 863721096 /nfs/dbraw/zinc/72/10/96/863721096.db2.gz IACKAXKONAFEDE-UHFFFAOYSA-N 2 2 413.031 4.330 20 0 HIADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)c2C1 ZINC000438363850 863827173 /nfs/dbraw/zinc/82/71/73/863827173.db2.gz IDJOMYIXTITALM-QHCPKHFHSA-N 2 2 409.599 4.387 20 0 HIADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)c2C1 ZINC000438363850 863827174 /nfs/dbraw/zinc/82/71/74/863827174.db2.gz IDJOMYIXTITALM-QHCPKHFHSA-N 2 2 409.599 4.387 20 0 HIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)[C@@H]1c1cccs1 ZINC000439603229 864926543 /nfs/dbraw/zinc/92/65/43/864926543.db2.gz KGXJWQMYDXFHLI-AKIFATBCSA-N 2 2 411.615 4.474 20 0 HIADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)[C@@H]1c1cccs1 ZINC000439603229 864926546 /nfs/dbraw/zinc/92/65/46/864926546.db2.gz KGXJWQMYDXFHLI-AKIFATBCSA-N 2 2 411.615 4.474 20 0 HIADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3csc(CCc4ccccc4)n3)CC2)C[C@@H](C)O1 ZINC000440330835 865610047 /nfs/dbraw/zinc/61/00/47/865610047.db2.gz XXXAUIJJBBQYLF-WOJBJXKFSA-N 2 2 413.631 4.250 20 0 HIADLP CC[N@H+](Cc1ccsc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440712512 865872539 /nfs/dbraw/zinc/87/25/39/865872539.db2.gz MBRFERCVWJNBNC-UHFFFAOYSA-N 2 2 416.591 4.247 20 0 HIADLP CC[N@@H+](Cc1ccsc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440712512 865872541 /nfs/dbraw/zinc/87/25/41/865872541.db2.gz MBRFERCVWJNBNC-UHFFFAOYSA-N 2 2 416.591 4.247 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441404757 866478421 /nfs/dbraw/zinc/47/84/21/866478421.db2.gz JMJHBOYMTIZICG-QFZRFWILSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441404757 866478434 /nfs/dbraw/zinc/47/84/34/866478434.db2.gz JMJHBOYMTIZICG-QFZRFWILSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441404757 866478445 /nfs/dbraw/zinc/47/84/45/866478445.db2.gz JMJHBOYMTIZICG-QFZRFWILSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441404757 866478459 /nfs/dbraw/zinc/47/84/59/866478459.db2.gz JMJHBOYMTIZICG-QFZRFWILSA-N 2 2 417.597 4.229 20 0 HIADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441407345 866481436 /nfs/dbraw/zinc/48/14/36/866481436.db2.gz GWXWOJMHZALYJD-OXJNMPFZSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441407345 866481446 /nfs/dbraw/zinc/48/14/46/866481446.db2.gz GWXWOJMHZALYJD-OXJNMPFZSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1cc2cccnc2c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441407345 866481457 /nfs/dbraw/zinc/48/14/57/866481457.db2.gz GWXWOJMHZALYJD-OXJNMPFZSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1cc2cccnc2c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441407345 866481467 /nfs/dbraw/zinc/48/14/67/866481467.db2.gz GWXWOJMHZALYJD-OXJNMPFZSA-N 2 2 400.364 4.446 20 0 HIADLP CCC[NH+]1CCC([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000441912225 866977068 /nfs/dbraw/zinc/97/70/68/866977068.db2.gz OXVBZSRHJYPIQM-UHFFFAOYSA-N 2 2 403.368 4.212 20 0 HIADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000441912225 866977084 /nfs/dbraw/zinc/97/70/84/866977084.db2.gz OXVBZSRHJYPIQM-UHFFFAOYSA-N 2 2 403.368 4.212 20 0 HIADLP COCCC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000442854397 867698811 /nfs/dbraw/zinc/69/88/11/867698811.db2.gz ANGPAAZAHRLELP-DNQXCXABSA-N 2 2 400.538 4.174 20 0 HIADLP COCCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000442854397 867698819 /nfs/dbraw/zinc/69/88/19/867698819.db2.gz ANGPAAZAHRLELP-DNQXCXABSA-N 2 2 400.538 4.174 20 0 HIADLP C[NH+](C)CCCOC1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443523033 868081108 /nfs/dbraw/zinc/08/11/08/868081108.db2.gz OJYSVZGUGQVJRT-UHFFFAOYSA-N 2 2 410.331 4.074 20 0 HIADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCc4c3cc(Cl)cc4Cl)CC2)CC1 ZINC000443610775 868175941 /nfs/dbraw/zinc/17/59/41/868175941.db2.gz QGVOKJNKPVLNHE-OAQYLSRUSA-N 2 2 424.416 4.247 20 0 HIADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[NH+]2CCCC2)o1 ZINC000444593682 868894863 /nfs/dbraw/zinc/89/48/63/868894863.db2.gz RGZDEXGFKLCUGC-AVRDEDQJSA-N 2 2 421.545 4.279 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000444806101 869019199 /nfs/dbraw/zinc/01/91/99/869019199.db2.gz SNDPPTHRXPXNNS-VQIMIIECSA-N 2 2 421.372 4.270 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000444806101 869019212 /nfs/dbraw/zinc/01/92/12/869019212.db2.gz SNDPPTHRXPXNNS-VQIMIIECSA-N 2 2 421.372 4.270 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000444808132 869021483 /nfs/dbraw/zinc/02/14/83/869021483.db2.gz ZEYHZMYDSQFJOO-HNNXBMFYSA-N 2 2 401.308 4.217 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000444808132 869021498 /nfs/dbraw/zinc/02/14/98/869021498.db2.gz ZEYHZMYDSQFJOO-HNNXBMFYSA-N 2 2 401.308 4.217 20 0 HIADLP Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000444969878 869133232 /nfs/dbraw/zinc/13/32/32/869133232.db2.gz UDSVQGIBNWQJHD-PKTZIBPZSA-N 2 2 411.594 4.277 20 0 HIADLP Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000444969878 869133238 /nfs/dbraw/zinc/13/32/38/869133238.db2.gz UDSVQGIBNWQJHD-PKTZIBPZSA-N 2 2 411.594 4.277 20 0 HIADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734767 871686073 /nfs/dbraw/zinc/68/60/73/871686073.db2.gz YWJQUQNUVBTBQM-HYBUGGRVSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734767 871686099 /nfs/dbraw/zinc/68/60/99/871686099.db2.gz YWJQUQNUVBTBQM-HYBUGGRVSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734767 871686121 /nfs/dbraw/zinc/68/61/21/871686121.db2.gz YWJQUQNUVBTBQM-HYBUGGRVSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734767 871686129 /nfs/dbraw/zinc/68/61/29/871686129.db2.gz YWJQUQNUVBTBQM-HYBUGGRVSA-N 2 2 407.558 4.118 20 0 HIADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000448027325 871865957 /nfs/dbraw/zinc/86/59/57/871865957.db2.gz MNEMQFFYRKPKHM-NBGIEHNGSA-N 2 2 417.601 4.392 20 0 HIADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000448027325 871865959 /nfs/dbraw/zinc/86/59/59/871865959.db2.gz MNEMQFFYRKPKHM-NBGIEHNGSA-N 2 2 417.601 4.392 20 0 HIADLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(Cl)c1F ZINC000461095509 874012334 /nfs/dbraw/zinc/01/23/34/874012334.db2.gz QUCNKIKIENTTFA-NRFANRHFSA-N 2 2 406.929 4.431 20 0 HIADLP FC(F)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000461394530 874403359 /nfs/dbraw/zinc/40/33/59/874403359.db2.gz LLLNGIDASWOYAZ-FQEVSTJZSA-N 2 2 400.517 4.053 20 0 HIADLP FC(F)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000461394530 874403384 /nfs/dbraw/zinc/40/33/84/874403384.db2.gz LLLNGIDASWOYAZ-FQEVSTJZSA-N 2 2 400.517 4.053 20 0 HIADLP CCCC[C@@H]([NH2+]C1CC[NH+](CCC)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000462030202 875145295 /nfs/dbraw/zinc/14/52/95/875145295.db2.gz XSRYLFMVKAXSBR-HSZRJFAPSA-N 2 2 400.611 4.248 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462798987 875847500 /nfs/dbraw/zinc/84/75/00/875847500.db2.gz VAIVBVPIFSHSSN-VQTJNVASSA-N 2 2 412.496 4.349 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000462804744 875851297 /nfs/dbraw/zinc/85/12/97/875851297.db2.gz CKPAMZIWXSWMNL-CKUXNOBLSA-N 2 2 420.601 4.130 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000462804744 875851300 /nfs/dbraw/zinc/85/13/00/875851300.db2.gz CKPAMZIWXSWMNL-CKUXNOBLSA-N 2 2 420.601 4.130 20 0 HIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H](c3ccc(F)cc3)[C@@H]3CCCO3)CC2)cc1 ZINC000463113423 876152908 /nfs/dbraw/zinc/15/29/08/876152908.db2.gz YNFQIVYKDBVOLN-BJKOFHAPSA-N 2 2 400.513 4.482 20 0 HIADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000463131194 876177079 /nfs/dbraw/zinc/17/70/79/876177079.db2.gz KAVOWUXVRDJAJU-QGZVFWFLSA-N 2 2 416.537 4.209 20 0 HIADLP COc1ccc([C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N2CCCC2)cc1 ZINC000463136244 876184911 /nfs/dbraw/zinc/18/49/11/876184911.db2.gz CVYKJZIACVIFSY-AREMUKBSSA-N 2 2 407.602 4.129 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463189061 876247247 /nfs/dbraw/zinc/24/72/47/876247247.db2.gz IDBAQVTZLRSKPQ-MAODMQOUSA-N 2 2 403.364 4.125 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)CC[N@H+]1Cc1ccccc1 ZINC000463189061 876247267 /nfs/dbraw/zinc/24/72/67/876247267.db2.gz IDBAQVTZLRSKPQ-MAODMQOUSA-N 2 2 403.364 4.125 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Br)cn1 ZINC000463244633 876301384 /nfs/dbraw/zinc/30/13/84/876301384.db2.gz IPQKAFJNWCUFNG-HNNXBMFYSA-N 2 2 406.343 4.341 20 0 HIADLP CSCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC000463293375 876353468 /nfs/dbraw/zinc/35/34/68/876353468.db2.gz IBQHQJQWQBLUSO-KBRMVUAJSA-N 2 2 421.614 4.309 20 0 HIADLP CSCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC000463293375 876353483 /nfs/dbraw/zinc/35/34/83/876353483.db2.gz IBQHQJQWQBLUSO-KBRMVUAJSA-N 2 2 421.614 4.309 20 0 HIADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000463707282 876826744 /nfs/dbraw/zinc/82/67/44/876826744.db2.gz VODNMQHQQHBIAJ-LJQANCHMSA-N 2 2 409.578 4.376 20 0 HIADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000463707282 876826750 /nfs/dbraw/zinc/82/67/50/876826750.db2.gz VODNMQHQQHBIAJ-LJQANCHMSA-N 2 2 409.578 4.376 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464828457 878082586 /nfs/dbraw/zinc/08/25/86/878082586.db2.gz BVOPLUMAKAWUCN-RUZDIDTESA-N 2 2 407.602 4.188 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464828457 878082605 /nfs/dbraw/zinc/08/26/05/878082605.db2.gz BVOPLUMAKAWUCN-RUZDIDTESA-N 2 2 407.602 4.188 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464828457 878082628 /nfs/dbraw/zinc/08/26/28/878082628.db2.gz BVOPLUMAKAWUCN-RUZDIDTESA-N 2 2 407.602 4.188 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464828457 878082649 /nfs/dbraw/zinc/08/26/49/878082649.db2.gz BVOPLUMAKAWUCN-RUZDIDTESA-N 2 2 407.602 4.188 20 0 HIADLP CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503370773 912349286 /nfs/dbraw/zinc/34/92/86/912349286.db2.gz RKVUEXNYGBMCMM-SFHVURJKSA-N 2 2 407.518 4.048 20 0 HIADLP CCOc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503370773 912349305 /nfs/dbraw/zinc/34/93/05/912349305.db2.gz RKVUEXNYGBMCMM-SFHVURJKSA-N 2 2 407.518 4.048 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375751 912357392 /nfs/dbraw/zinc/35/73/92/912357392.db2.gz MMEODIFNSBLQNO-INIZCTEOSA-N 2 2 416.953 4.090 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375751 912357410 /nfs/dbraw/zinc/35/74/10/912357410.db2.gz MMEODIFNSBLQNO-INIZCTEOSA-N 2 2 416.953 4.090 20 0 HIADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc2c(c1)CCCC2 ZINC000503375143 912357660 /nfs/dbraw/zinc/35/76/60/912357660.db2.gz LDSUEWARFNHZLI-CVDCTZTESA-N 2 2 420.601 4.155 20 0 HIADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc2c(c1)CCCC2 ZINC000503375143 912357675 /nfs/dbraw/zinc/35/76/75/912357675.db2.gz LDSUEWARFNHZLI-CVDCTZTESA-N 2 2 420.601 4.155 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000465474461 878911958 /nfs/dbraw/zinc/91/19/58/878911958.db2.gz ZOUYYWDEFCDMNC-UZUQRXQVSA-N 2 2 406.505 4.162 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000465474461 878911969 /nfs/dbraw/zinc/91/19/69/878911969.db2.gz ZOUYYWDEFCDMNC-UZUQRXQVSA-N 2 2 406.505 4.162 20 0 HIADLP CCC(CC)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccs1 ZINC000465727161 879305539 /nfs/dbraw/zinc/30/55/39/879305539.db2.gz PWXHMTVLPDIHIW-NRFANRHFSA-N 2 2 420.667 4.475 20 0 HIADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCC(C)(C)c3ccccc32)([NH+]2CCCCC2)CC1 ZINC000465776567 879380050 /nfs/dbraw/zinc/38/00/50/879380050.db2.gz DHAIDOQJTYWSJL-QFIPXVFZSA-N 2 2 412.622 4.049 20 0 HIADLP CC(C)C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000465973069 879641282 /nfs/dbraw/zinc/64/12/82/879641282.db2.gz NZZSAODBSMBUPZ-NRFANRHFSA-N 2 2 409.018 4.095 20 0 HIADLP CC(C)C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000465973069 879641296 /nfs/dbraw/zinc/64/12/96/879641296.db2.gz NZZSAODBSMBUPZ-NRFANRHFSA-N 2 2 409.018 4.095 20 0 HIADLP Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000466139185 879850084 /nfs/dbraw/zinc/85/00/84/879850084.db2.gz AYPAIZOWMQFOSF-PZJWPPBQSA-N 2 2 416.610 4.021 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2-c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000466158813 879862599 /nfs/dbraw/zinc/86/25/99/879862599.db2.gz RTKVHHCXABIVMJ-UHFFFAOYSA-N 2 2 406.574 4.425 20 0 HIADLP Cc1oc2ccccc2c1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466278200 880017254 /nfs/dbraw/zinc/01/72/54/880017254.db2.gz OWNBURPKWXPXRT-DHIUTWEWSA-N 2 2 411.590 4.079 20 0 HIADLP Cc1oc2ccccc2c1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466278200 880017273 /nfs/dbraw/zinc/01/72/73/880017273.db2.gz OWNBURPKWXPXRT-DHIUTWEWSA-N 2 2 411.590 4.079 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4c(Cl)cccc4Cl)CCC3)CC2)CC1 ZINC000469047569 883119101 /nfs/dbraw/zinc/11/91/01/883119101.db2.gz SSVCBJMLNRBQRW-UHFFFAOYSA-N 2 2 424.416 4.090 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000469269961 883367916 /nfs/dbraw/zinc/36/79/16/883367916.db2.gz VRNGCUWDFDASFP-FQEVSTJZSA-N 2 2 402.970 4.221 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000469269961 883367932 /nfs/dbraw/zinc/36/79/32/883367932.db2.gz VRNGCUWDFDASFP-FQEVSTJZSA-N 2 2 402.970 4.221 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587509 883825226 /nfs/dbraw/zinc/82/52/26/883825226.db2.gz UJDBJZZGJAQWIR-SELNLUPBSA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587509 883825230 /nfs/dbraw/zinc/82/52/30/883825230.db2.gz UJDBJZZGJAQWIR-SELNLUPBSA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587509 883825233 /nfs/dbraw/zinc/82/52/33/883825233.db2.gz UJDBJZZGJAQWIR-SELNLUPBSA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587509 883825234 /nfs/dbraw/zinc/82/52/34/883825234.db2.gz UJDBJZZGJAQWIR-SELNLUPBSA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000469762587 883930320 /nfs/dbraw/zinc/93/03/20/883930320.db2.gz DLQQLTLQYGQGOE-CYGODWOOSA-N 2 2 423.992 4.382 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000469762587 883930332 /nfs/dbraw/zinc/93/03/32/883930332.db2.gz DLQQLTLQYGQGOE-CYGODWOOSA-N 2 2 423.992 4.382 20 0 HIADLP CCC(CC)(CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000469763540 883931628 /nfs/dbraw/zinc/93/16/28/883931628.db2.gz IQBZITFAPPHDQY-UGKGYDQZSA-N 2 2 410.562 4.154 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469859394 884044745 /nfs/dbraw/zinc/04/47/45/884044745.db2.gz OVYYURGSKSDPSZ-WHLIWEHUSA-N 2 2 423.605 4.154 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469859394 884044764 /nfs/dbraw/zinc/04/47/64/884044764.db2.gz OVYYURGSKSDPSZ-WHLIWEHUSA-N 2 2 423.605 4.154 20 0 HIADLP CC1(C)[C@@H](C(F)(F)F)CC[NH+]1CC1(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)COC1 ZINC000469995992 884213168 /nfs/dbraw/zinc/21/31/68/884213168.db2.gz HUPXQRMBMCNHKG-OKILXGFUSA-N 2 2 416.450 4.329 20 0 HIADLP CC1(C)[C@@H](C(F)(F)F)CC[NH+]1CC1(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)COC1 ZINC000469995992 884213187 /nfs/dbraw/zinc/21/31/87/884213187.db2.gz HUPXQRMBMCNHKG-OKILXGFUSA-N 2 2 416.450 4.329 20 0 HIADLP CC1(C)[C@H](C(F)(F)F)CC[NH+]1CC1(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)COC1 ZINC000469995992 884213205 /nfs/dbraw/zinc/21/32/05/884213205.db2.gz HUPXQRMBMCNHKG-OKILXGFUSA-N 2 2 416.450 4.329 20 0 HIADLP CC1(C)[C@H](C(F)(F)F)CC[NH+]1CC1(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)COC1 ZINC000469995992 884213223 /nfs/dbraw/zinc/21/32/23/884213223.db2.gz HUPXQRMBMCNHKG-OKILXGFUSA-N 2 2 416.450 4.329 20 0 HIADLP O=c1ccccn1C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000503930389 912869522 /nfs/dbraw/zinc/86/95/22/912869522.db2.gz RMDKFCMKIIKQEX-VWLOTQADSA-N 2 2 419.544 4.025 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471183844 885749915 /nfs/dbraw/zinc/74/99/15/885749915.db2.gz UYMPPXGRCVAOSQ-QUCCMNQESA-N 2 2 404.514 4.195 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471183844 885749935 /nfs/dbraw/zinc/74/99/35/885749935.db2.gz UYMPPXGRCVAOSQ-QUCCMNQESA-N 2 2 404.514 4.195 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H]1c1ccccc1 ZINC000471939712 886739160 /nfs/dbraw/zinc/73/91/60/886739160.db2.gz LLVKDODHTBBJHE-UPVQGACJSA-N 2 2 413.525 4.169 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H]1c1ccccc1 ZINC000471939712 886739176 /nfs/dbraw/zinc/73/91/76/886739176.db2.gz LLVKDODHTBBJHE-UPVQGACJSA-N 2 2 413.525 4.169 20 0 HIADLP Cc1cc2occ(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2cc1C ZINC000472002084 886827404 /nfs/dbraw/zinc/82/74/04/886827404.db2.gz KONQWAZNOMPWPE-PKTZIBPZSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1cc2occ(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2cc1C ZINC000472002084 886827406 /nfs/dbraw/zinc/82/74/06/886827406.db2.gz KONQWAZNOMPWPE-PKTZIBPZSA-N 2 2 411.590 4.459 20 0 HIADLP C[NH+]1CCC(CNC(=O)CC2(CSc3ccccc3)CC2)([NH+]2CCCCC2)CC1 ZINC000472294283 887115257 /nfs/dbraw/zinc/11/52/57/887115257.db2.gz GKTXVUNQKXCMSF-UHFFFAOYSA-N 2 2 415.647 4.016 20 0 HIADLP C[C@H](CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[N@H+](C)Cc1ccccc1 ZINC000472778157 887623360 /nfs/dbraw/zinc/62/33/60/887623360.db2.gz XVLSYCRUNQNKJK-GOSISDBHSA-N 2 2 415.607 4.161 20 0 HIADLP C[C@H](CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[N@@H+](C)Cc1ccccc1 ZINC000472778157 887623364 /nfs/dbraw/zinc/62/33/64/887623364.db2.gz XVLSYCRUNQNKJK-GOSISDBHSA-N 2 2 415.607 4.161 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc1)C2 ZINC000474897280 889757355 /nfs/dbraw/zinc/75/73/55/889757355.db2.gz CGGSCDCAWUTVKZ-JQVVWYNYSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc1)C2 ZINC000474897280 889757358 /nfs/dbraw/zinc/75/73/58/889757358.db2.gz CGGSCDCAWUTVKZ-JQVVWYNYSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc1)CC2 ZINC000474897280 889757365 /nfs/dbraw/zinc/75/73/65/889757365.db2.gz CGGSCDCAWUTVKZ-JQVVWYNYSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc1)CC2 ZINC000474897280 889757368 /nfs/dbraw/zinc/75/73/68/889757368.db2.gz CGGSCDCAWUTVKZ-JQVVWYNYSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)C2 ZINC000475118390 889972424 /nfs/dbraw/zinc/97/24/24/889972424.db2.gz KDSBBTGJAGNUGT-OFNKIYASSA-N 2 2 408.590 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)CC2 ZINC000475118390 889972445 /nfs/dbraw/zinc/97/24/45/889972445.db2.gz KDSBBTGJAGNUGT-OFNKIYASSA-N 2 2 408.590 4.227 20 0 HIADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475341522 890263751 /nfs/dbraw/zinc/26/37/51/890263751.db2.gz CNMMXJJQMYPFGP-NLNFPOJYSA-N 2 2 417.903 4.452 20 0 HIADLP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2Cl)n1 ZINC000475353809 890278488 /nfs/dbraw/zinc/27/84/88/890278488.db2.gz LKPHGLGGWDKFQZ-BGYRXZFFSA-N 2 2 406.961 4.304 20 0 HIADLP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2Cl)n1 ZINC000475353809 890278505 /nfs/dbraw/zinc/27/85/05/890278505.db2.gz LKPHGLGGWDKFQZ-BGYRXZFFSA-N 2 2 406.961 4.304 20 0 HIADLP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2Cl)n1 ZINC000475353809 890278526 /nfs/dbraw/zinc/27/85/26/890278526.db2.gz LKPHGLGGWDKFQZ-BGYRXZFFSA-N 2 2 406.961 4.304 20 0 HIADLP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccccc2Cl)n1 ZINC000475353809 890278542 /nfs/dbraw/zinc/27/85/42/890278542.db2.gz LKPHGLGGWDKFQZ-BGYRXZFFSA-N 2 2 406.961 4.304 20 0 HIADLP Cc1nc2ccccc2n1C1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000475500780 890410511 /nfs/dbraw/zinc/41/05/11/890410511.db2.gz BGKATCCIPQRZHL-UHFFFAOYSA-N 2 2 409.603 4.405 20 0 HIADLP Cc1nc2ccccc2n1C1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000475500780 890410514 /nfs/dbraw/zinc/41/05/14/890410514.db2.gz BGKATCCIPQRZHL-UHFFFAOYSA-N 2 2 409.603 4.405 20 0 HIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CO)c3ccccc3OC(F)(F)F)CC2)C1 ZINC000475568422 890499212 /nfs/dbraw/zinc/49/92/12/890499212.db2.gz FWTBQLFUNOQURP-SUMDDJOVSA-N 2 2 400.485 4.251 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(OCC[NH+]3CCCCC3)cc1)C2 ZINC000476368109 891278862 /nfs/dbraw/zinc/27/88/62/891278862.db2.gz UHWAHZIFVFCXDN-SFHVURJKSA-N 2 2 410.562 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(OCC[NH+]3CCCCC3)cc1)CC2 ZINC000476368109 891278880 /nfs/dbraw/zinc/27/88/80/891278880.db2.gz UHWAHZIFVFCXDN-SFHVURJKSA-N 2 2 410.562 4.141 20 0 HIADLP CC[N@H+](CCC1CCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1)CC(C)C ZINC000476548042 891461708 /nfs/dbraw/zinc/46/17/08/891461708.db2.gz OOVLSHOIBQUAGZ-UHFFFAOYSA-N 2 2 420.548 4.230 20 0 HIADLP CC[N@@H+](CCC1CCN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1)CC(C)C ZINC000476548042 891461713 /nfs/dbraw/zinc/46/17/13/891461713.db2.gz OOVLSHOIBQUAGZ-UHFFFAOYSA-N 2 2 420.548 4.230 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000476575334 891496678 /nfs/dbraw/zinc/49/66/78/891496678.db2.gz LGAOHHUAJRJOOC-LAUBAEHRSA-N 2 2 424.416 4.465 20 0 HIADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000476575334 891496703 /nfs/dbraw/zinc/49/67/03/891496703.db2.gz LGAOHHUAJRJOOC-LAUBAEHRSA-N 2 2 424.416 4.465 20 0 HIADLP CCC[N@H+](Cc1csc([C@H](C)OC)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000476835217 891813978 /nfs/dbraw/zinc/81/39/78/891813978.db2.gz YOGJPQPRBMMJAP-INIZCTEOSA-N 2 2 403.596 4.138 20 0 HIADLP CCC[N@@H+](Cc1csc([C@H](C)OC)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000476835217 891813983 /nfs/dbraw/zinc/81/39/83/891813983.db2.gz YOGJPQPRBMMJAP-INIZCTEOSA-N 2 2 403.596 4.138 20 0 HIADLP COc1ccc(-c2ccncc2)cc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000478612786 893875454 /nfs/dbraw/zinc/87/54/54/893875454.db2.gz UTOHNBLLEFVYAA-UHFFFAOYSA-N 2 2 417.557 4.295 20 0 HIADLP C[C@H](Cc1ccc(Br)cc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000479292713 894573743 /nfs/dbraw/zinc/57/37/43/894573743.db2.gz XTQGUDXXAPGCCB-MRXNPFEDSA-N 2 2 417.395 4.418 20 0 HIADLP O=C1Nc2ccccc2C12CCC([NH2+]C1CC([NH+]3CCC(C(F)(F)F)CC3)C1)CC2 ZINC000479473456 894796294 /nfs/dbraw/zinc/79/62/94/894796294.db2.gz AUPMHAKMTYBWKQ-UHFFFAOYSA-N 2 2 421.507 4.214 20 0 HIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCN(c4ccccc4C(F)(F)F)C3)sc2C1 ZINC000479867149 895207210 /nfs/dbraw/zinc/20/72/10/895207210.db2.gz PCOLAGIYMMLTQL-HNNXBMFYSA-N 2 2 424.536 4.297 20 0 HIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCN(c4ccccc4C(F)(F)F)C3)sc2C1 ZINC000479867149 895207225 /nfs/dbraw/zinc/20/72/25/895207225.db2.gz PCOLAGIYMMLTQL-HNNXBMFYSA-N 2 2 424.536 4.297 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CCCC1 ZINC000479877652 895221804 /nfs/dbraw/zinc/22/18/04/895221804.db2.gz YTKKRCFLCMKOHE-SDUSCBPUSA-N 2 2 407.602 4.332 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCCC1 ZINC000479877652 895221830 /nfs/dbraw/zinc/22/18/30/895221830.db2.gz YTKKRCFLCMKOHE-SDUSCBPUSA-N 2 2 407.602 4.332 20 0 HIADLP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000479920430 895267754 /nfs/dbraw/zinc/26/77/54/895267754.db2.gz BBHKWAWSONXYJP-MRXNPFEDSA-N 2 2 404.938 4.040 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480366744 895772916 /nfs/dbraw/zinc/77/29/16/895772916.db2.gz ZPCGJLXMAAQXLO-PGRDOPGGSA-N 2 2 412.480 4.197 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480366744 895772925 /nfs/dbraw/zinc/77/29/25/895772925.db2.gz ZPCGJLXMAAQXLO-PGRDOPGGSA-N 2 2 412.480 4.197 20 0 HIADLP COC[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000480527443 895890317 /nfs/dbraw/zinc/89/03/17/895890317.db2.gz MOKVUEQFRPRUTJ-FQEVSTJZSA-N 2 2 403.448 4.470 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCSc4c(Cl)cccc43)cc2)CC1 ZINC000480603303 895967727 /nfs/dbraw/zinc/96/77/27/895967727.db2.gz CAKIVIVKNQCSSS-FQEVSTJZSA-N 2 2 415.990 4.054 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000480711962 896073823 /nfs/dbraw/zinc/07/38/23/896073823.db2.gz RKGJBHQGBJUKRY-WZONZLPQSA-N 2 2 415.603 4.009 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000480711962 896073840 /nfs/dbraw/zinc/07/38/40/896073840.db2.gz RKGJBHQGBJUKRY-WZONZLPQSA-N 2 2 415.603 4.009 20 0 HIADLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000480723454 896084903 /nfs/dbraw/zinc/08/49/03/896084903.db2.gz ZCTIOCUOYMMQGI-QGZVFWFLSA-N 2 2 421.507 4.415 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(F)cc3OC(F)F)cc2)CC1 ZINC000480727797 896088857 /nfs/dbraw/zinc/08/88/57/896088857.db2.gz JYQULIBJZYFIJF-QGZVFWFLSA-N 2 2 421.507 4.415 20 0 HIADLP Fc1ccc([C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2ccccc2)cc1 ZINC000480756397 896118513 /nfs/dbraw/zinc/11/85/13/896118513.db2.gz HPDJRGZIQJXIMP-AREMUKBSSA-N 2 2 420.528 4.416 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(SCC(F)F)cc1 ZINC000480781843 896148631 /nfs/dbraw/zinc/14/86/31/896148631.db2.gz TUNDNZPVGQSPAC-OXQOHEQNSA-N 2 2 406.542 4.114 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(SCC(F)F)cc1 ZINC000480781843 896148642 /nfs/dbraw/zinc/14/86/42/896148642.db2.gz TUNDNZPVGQSPAC-OXQOHEQNSA-N 2 2 406.542 4.114 20 0 HIADLP CCSc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000481166723 896500619 /nfs/dbraw/zinc/50/06/19/896500619.db2.gz OTAZPQSIDWQBFW-VXKWHMMOSA-N 2 2 403.636 4.208 20 0 HIADLP CCSc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000481166723 896500632 /nfs/dbraw/zinc/50/06/32/896500632.db2.gz OTAZPQSIDWQBFW-VXKWHMMOSA-N 2 2 403.636 4.208 20 0 HIADLP CCSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000481166717 896502077 /nfs/dbraw/zinc/50/20/77/896502077.db2.gz OTAZPQSIDWQBFW-FCHUYYIVSA-N 2 2 403.636 4.208 20 0 HIADLP CCSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000481166717 896502094 /nfs/dbraw/zinc/50/20/94/896502094.db2.gz OTAZPQSIDWQBFW-FCHUYYIVSA-N 2 2 403.636 4.208 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000481176225 896511985 /nfs/dbraw/zinc/51/19/85/896511985.db2.gz XLYFWVVJIKCXHJ-MPJJRAAHSA-N 2 2 411.615 4.300 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000481176225 896512002 /nfs/dbraw/zinc/51/20/02/896512002.db2.gz XLYFWVVJIKCXHJ-MPJJRAAHSA-N 2 2 411.615 4.300 20 0 HIADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481190126 896537559 /nfs/dbraw/zinc/53/75/59/896537559.db2.gz KFVFWTMJONOTDE-KRWDZBQOSA-N 2 2 403.592 4.137 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000481203401 896556629 /nfs/dbraw/zinc/55/66/29/896556629.db2.gz MYCDVAGQYALZLD-QGZVFWFLSA-N 2 2 424.463 4.147 20 0 HIADLP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)ccn2)cc1 ZINC000481298111 896641377 /nfs/dbraw/zinc/64/13/77/896641377.db2.gz GMGBVCQUSUVRAS-YADARESESA-N 2 2 418.541 4.278 20 0 HIADLP COc1ccc(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)ccn2)cc1 ZINC000481298111 896641384 /nfs/dbraw/zinc/64/13/84/896641384.db2.gz GMGBVCQUSUVRAS-YADARESESA-N 2 2 418.541 4.278 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1OC(F)(F)F ZINC000481414064 896818125 /nfs/dbraw/zinc/81/81/25/896818125.db2.gz LOVBOSLOXQPWLM-QGZVFWFLSA-N 2 2 424.463 4.147 20 0 HIADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481418571 896821750 /nfs/dbraw/zinc/82/17/50/896821750.db2.gz MBVNGXQOHDYZQA-NRFANRHFSA-N 2 2 421.368 4.482 20 0 HIADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000481718247 897112250 /nfs/dbraw/zinc/11/22/50/897112250.db2.gz AHEYNYYSMASSRC-MRXNPFEDSA-N 2 2 413.953 4.020 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000482147719 897609148 /nfs/dbraw/zinc/60/91/48/897609148.db2.gz RKOABYMGUJZYPM-OFNKIYASSA-N 2 2 409.574 4.019 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000482147719 897609161 /nfs/dbraw/zinc/60/91/61/897609161.db2.gz RKOABYMGUJZYPM-OFNKIYASSA-N 2 2 409.574 4.019 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000482162877 897627848 /nfs/dbraw/zinc/62/78/48/897627848.db2.gz JSHSNQLRZYGTRE-LGVFNWMJSA-N 2 2 423.601 4.407 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000482162877 897627859 /nfs/dbraw/zinc/62/78/59/897627859.db2.gz JSHSNQLRZYGTRE-LGVFNWMJSA-N 2 2 423.601 4.407 20 0 HIADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000482251187 897733450 /nfs/dbraw/zinc/73/34/50/897733450.db2.gz WUIOGXVFRVQAIJ-SFHVURJKSA-N 2 2 401.576 4.341 20 0 HIADLP CCC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)N1CCc2sccc2C1 ZINC000482253634 897734689 /nfs/dbraw/zinc/73/46/89/897734689.db2.gz RFFUYMAYLFFBGD-UTKZUKDTSA-N 2 2 408.571 4.338 20 0 HIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)[C@H](C)C1 ZINC000482728353 898329530 /nfs/dbraw/zinc/32/95/30/898329530.db2.gz DMDHYMKXUAHBPU-WZONZLPQSA-N 2 2 401.526 4.240 20 0 HIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)[C@H](C)C1 ZINC000482728353 898329542 /nfs/dbraw/zinc/32/95/42/898329542.db2.gz DMDHYMKXUAHBPU-WZONZLPQSA-N 2 2 401.526 4.240 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)[C@H](C)C1 ZINC000482728351 898330814 /nfs/dbraw/zinc/33/08/14/898330814.db2.gz DMDHYMKXUAHBPU-JPYJTQIMSA-N 2 2 401.526 4.240 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)[C@H](C)C1 ZINC000482728351 898330828 /nfs/dbraw/zinc/33/08/28/898330828.db2.gz DMDHYMKXUAHBPU-JPYJTQIMSA-N 2 2 401.526 4.240 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482956091 898584890 /nfs/dbraw/zinc/58/48/90/898584890.db2.gz ZVEOTVMIIWZKJN-ATIYNZHBSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482956091 898584899 /nfs/dbraw/zinc/58/48/99/898584899.db2.gz ZVEOTVMIIWZKJN-ATIYNZHBSA-N 3 2 406.618 4.458 20 0 HIADLP CC(C)c1cccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000483343954 898977280 /nfs/dbraw/zinc/97/72/80/898977280.db2.gz RRUZKXOLMWWYQN-RPWUZVMVSA-N 2 2 414.638 4.289 20 0 HIADLP CC(C)c1cccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000483343954 898977295 /nfs/dbraw/zinc/97/72/95/898977295.db2.gz RRUZKXOLMWWYQN-RPWUZVMVSA-N 2 2 414.638 4.289 20 0 HIADLP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000483647625 899304886 /nfs/dbraw/zinc/30/48/86/899304886.db2.gz UCUXYAIOKQSPHI-SFHVURJKSA-N 2 2 423.536 4.177 20 0 HIADLP CC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1OCC(=O)N(C)C ZINC000483816108 899493803 /nfs/dbraw/zinc/49/38/03/899493803.db2.gz DMBSNGYKMYTMJZ-PGRDOPGGSA-N 2 2 406.530 4.141 20 0 HIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1cccc(Br)c1 ZINC000483816604 899493906 /nfs/dbraw/zinc/49/39/06/899493906.db2.gz JACHKYIQRHJXAZ-FVJLSDCUSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1cccc(Br)c1 ZINC000483816604 899493923 /nfs/dbraw/zinc/49/39/23/899493923.db2.gz JACHKYIQRHJXAZ-FVJLSDCUSA-N 2 2 418.379 4.112 20 0 HIADLP CCC(CC)(C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000484133598 899753977 /nfs/dbraw/zinc/75/39/77/899753977.db2.gz AILLXRRLWFQFOK-OALUTQOASA-N 2 2 417.619 4.155 20 0 HIADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1cccc(N2CCOCC2)c1 ZINC000484141463 899761416 /nfs/dbraw/zinc/76/14/16/899761416.db2.gz XOSRPTJMSHETEU-FGZHOGPDSA-N 2 2 423.601 4.074 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000484146710 899766575 /nfs/dbraw/zinc/76/65/75/899766575.db2.gz ZFKGNSRYRNUUOP-FBBABVLZSA-N 2 2 404.501 4.130 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000484146710 899766585 /nfs/dbraw/zinc/76/65/85/899766585.db2.gz ZFKGNSRYRNUUOP-FBBABVLZSA-N 2 2 404.501 4.130 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485332888 900619020 /nfs/dbraw/zinc/61/90/20/900619020.db2.gz HXAAMAKXZKRURU-KAGYGMCKSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485332888 900619025 /nfs/dbraw/zinc/61/90/25/900619025.db2.gz HXAAMAKXZKRURU-KAGYGMCKSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000485332888 900619032 /nfs/dbraw/zinc/61/90/32/900619032.db2.gz HXAAMAKXZKRURU-KAGYGMCKSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000485332888 900619037 /nfs/dbraw/zinc/61/90/37/900619037.db2.gz HXAAMAKXZKRURU-KAGYGMCKSA-N 2 2 424.614 4.117 20 0 HIADLP CCC[N@H+](Cc1nc([C@H](C)SCC)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000485674186 900924622 /nfs/dbraw/zinc/92/46/22/900924622.db2.gz VNGIODAMLQCFFY-INIZCTEOSA-N 2 2 418.611 4.172 20 0 HIADLP CCC[N@@H+](Cc1nc([C@H](C)SCC)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000485674186 900924627 /nfs/dbraw/zinc/92/46/27/900924627.db2.gz VNGIODAMLQCFFY-INIZCTEOSA-N 2 2 418.611 4.172 20 0 HIADLP C[C@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000485832952 901079167 /nfs/dbraw/zinc/07/91/67/901079167.db2.gz SEHYGTCZVHPBGD-LSDHHAIUSA-N 2 2 405.384 4.078 20 0 HIADLP C[C@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000485832952 901079177 /nfs/dbraw/zinc/07/91/77/901079177.db2.gz SEHYGTCZVHPBGD-LSDHHAIUSA-N 2 2 405.384 4.078 20 0 HIADLP CCCc1nc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000486356697 901527440 /nfs/dbraw/zinc/52/74/40/901527440.db2.gz XCGDQOHDCHDRRQ-RBUKOAKNSA-N 2 2 421.655 4.205 20 0 HIADLP CCCc1nc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000486356697 901527445 /nfs/dbraw/zinc/52/74/45/901527445.db2.gz XCGDQOHDCHDRRQ-RBUKOAKNSA-N 2 2 421.655 4.205 20 0 HIADLP CCOc1c(Cl)cccc1C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000486969637 901996034 /nfs/dbraw/zinc/99/60/34/901996034.db2.gz PYXYUZZXMPMBTB-UHFFFAOYSA-N 2 2 401.982 4.166 20 0 HIADLP Brc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000490341971 903933759 /nfs/dbraw/zinc/93/37/59/903933759.db2.gz RNXMJOOUMYFHSP-FOIQADDNSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000490341971 903933773 /nfs/dbraw/zinc/93/37/73/903933773.db2.gz RNXMJOOUMYFHSP-FOIQADDNSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000490341971 903933783 /nfs/dbraw/zinc/93/37/83/903933783.db2.gz RNXMJOOUMYFHSP-FOIQADDNSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000490341971 903933792 /nfs/dbraw/zinc/93/37/92/903933792.db2.gz RNXMJOOUMYFHSP-FOIQADDNSA-N 2 2 400.364 4.446 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000491224791 904490707 /nfs/dbraw/zinc/49/07/07/904490707.db2.gz SMZYTKRVKFBTQE-QHCPKHFHSA-N 2 2 413.525 4.497 20 0 HIADLP CCN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000492349249 904836894 /nfs/dbraw/zinc/83/68/94/904836894.db2.gz GKCVLSNKBDJWEK-DENIHFKCSA-N 2 2 418.545 4.016 20 0 HIADLP CCN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000492349249 904836901 /nfs/dbraw/zinc/83/69/01/904836901.db2.gz GKCVLSNKBDJWEK-DENIHFKCSA-N 2 2 418.545 4.016 20 0 HIADLP COc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000493252798 905070125 /nfs/dbraw/zinc/07/01/25/905070125.db2.gz WPMAYZJDDYDLHN-UIOOFZCWSA-N 2 2 402.538 4.011 20 0 HIADLP COc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000493252798 905070145 /nfs/dbraw/zinc/07/01/45/905070145.db2.gz WPMAYZJDDYDLHN-UIOOFZCWSA-N 2 2 402.538 4.011 20 0 HIADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494158288 905494613 /nfs/dbraw/zinc/49/46/13/905494613.db2.gz YLSRUXJRIXEYFV-RTBURBONSA-N 2 2 407.530 4.042 20 0 HIADLP CC(C)[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494158288 905494624 /nfs/dbraw/zinc/49/46/24/905494624.db2.gz YLSRUXJRIXEYFV-RTBURBONSA-N 2 2 407.530 4.042 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccco2)s1 ZINC000494982137 906146245 /nfs/dbraw/zinc/14/62/45/906146245.db2.gz WKGUPXKHWRZPIR-UHFFFAOYSA-N 3 2 402.608 4.031 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccco2)s1 ZINC000494982137 906146257 /nfs/dbraw/zinc/14/62/57/906146257.db2.gz WKGUPXKHWRZPIR-UHFFFAOYSA-N 3 2 402.608 4.031 20 0 HIADLP C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000495055740 906208822 /nfs/dbraw/zinc/20/88/22/906208822.db2.gz AHGFYGNYVFDWGW-MRXNPFEDSA-N 2 2 416.566 4.084 20 0 HIADLP COc1ccc([C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c2ccccc2)cc1 ZINC000495069854 906221461 /nfs/dbraw/zinc/22/14/61/906221461.db2.gz UYLQQPOIUMYCIY-WIOPSUGQSA-N 2 2 402.542 4.432 20 0 HIADLP Clc1ccc(Br)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000496839850 906765945 /nfs/dbraw/zinc/76/59/45/906765945.db2.gz ONQJMBKQVCIUHW-UHFFFAOYSA-N 2 2 401.776 4.037 20 0 HIADLP C[C@@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1cccc(Br)c1 ZINC000512697717 921290801 /nfs/dbraw/zinc/29/08/01/921290801.db2.gz USDRVJZSVBLNPW-GBESFXJTSA-N 2 2 408.428 4.043 20 0 HIADLP C[C@@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1cccc(Br)c1 ZINC000512697717 921290806 /nfs/dbraw/zinc/29/08/06/921290806.db2.gz USDRVJZSVBLNPW-GBESFXJTSA-N 2 2 408.428 4.043 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000498350426 907852115 /nfs/dbraw/zinc/85/21/15/907852115.db2.gz XHISDJVWXAJZOU-IRXDYDNUSA-N 2 2 416.610 4.400 20 0 HIADLP CSCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC000499145737 908504125 /nfs/dbraw/zinc/50/41/25/908504125.db2.gz IBQHQJQWQBLUSO-KJJMTIBFSA-N 2 2 421.614 4.309 20 0 HIADLP CSCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC000499145737 908504134 /nfs/dbraw/zinc/50/41/34/908504134.db2.gz IBQHQJQWQBLUSO-KJJMTIBFSA-N 2 2 421.614 4.309 20 0 HIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@]3(Cc4ccc(Cl)cc4)CCOC3)sc2C1 ZINC000500463172 909872739 /nfs/dbraw/zinc/87/27/39/909872739.db2.gz OSDKYUFBHLSVRD-OAQYLSRUSA-N 2 2 405.995 4.054 20 0 HIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@]3(Cc4ccc(Cl)cc4)CCOC3)sc2C1 ZINC000500463172 909872747 /nfs/dbraw/zinc/87/27/47/909872747.db2.gz OSDKYUFBHLSVRD-OAQYLSRUSA-N 2 2 405.995 4.054 20 0 HIADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(Br)c1 ZINC000501768885 910823389 /nfs/dbraw/zinc/82/33/89/910823389.db2.gz FBRVKXSDBCBKMI-MRXNPFEDSA-N 2 2 410.400 4.138 20 0 HIADLP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000501785351 910839402 /nfs/dbraw/zinc/83/94/02/910839402.db2.gz KYJRQNWBMADWGE-UHFFFAOYSA-N 2 2 416.393 4.002 20 0 HIADLP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000501785351 910839403 /nfs/dbraw/zinc/83/94/03/910839403.db2.gz KYJRQNWBMADWGE-UHFFFAOYSA-N 2 2 416.393 4.002 20 0 HIADLP Brc1cc2c(c(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c1)OCC2 ZINC000502337801 911316542 /nfs/dbraw/zinc/31/65/42/911316542.db2.gz YCRBSPFKXIBXMF-MRXNPFEDSA-N 2 2 416.363 4.296 20 0 HIADLP Brc1cc2c(c(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c1)OCC2 ZINC000502337801 911316561 /nfs/dbraw/zinc/31/65/61/911316561.db2.gz YCRBSPFKXIBXMF-MRXNPFEDSA-N 2 2 416.363 4.296 20 0 HIADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503075602 912044886 /nfs/dbraw/zinc/04/48/86/912044886.db2.gz OEKLIUSCSKYCTE-JXALWOEJSA-N 2 2 402.542 4.384 20 0 HIADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503075602 912044901 /nfs/dbraw/zinc/04/49/01/912044901.db2.gz OEKLIUSCSKYCTE-JXALWOEJSA-N 2 2 402.542 4.384 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000513345031 921728691 /nfs/dbraw/zinc/72/86/91/921728691.db2.gz GDOSYRAHTXCQKF-CRAIPNDOSA-N 2 2 404.457 4.159 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000513345031 921728697 /nfs/dbraw/zinc/72/86/97/921728697.db2.gz GDOSYRAHTXCQKF-CRAIPNDOSA-N 2 2 404.457 4.159 20 0 HIADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000507074854 915854881 /nfs/dbraw/zinc/85/48/81/915854881.db2.gz UJPNAOGFKDGRGP-QFIPXVFZSA-N 2 2 423.605 4.150 20 0 HIADLP O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000507939584 916808506 /nfs/dbraw/zinc/80/85/06/916808506.db2.gz RCSZXCQNJRPVRR-RUZDIDTESA-N 2 2 417.553 4.136 20 0 HIADLP CCN(c1cc[nH+]c(NCc2nc3c(s2)C[N@@H+](C(C)C)CC3)n1)C1CCCC1 ZINC000508515514 917300629 /nfs/dbraw/zinc/30/06/29/917300629.db2.gz CCGUEGVFQIYVKR-UHFFFAOYSA-N 2 2 400.596 4.081 20 0 HIADLP CCN(c1cc[nH+]c(NCc2nc3c(s2)C[N@H+](C(C)C)CC3)n1)C1CCCC1 ZINC000508515514 917300644 /nfs/dbraw/zinc/30/06/44/917300644.db2.gz CCGUEGVFQIYVKR-UHFFFAOYSA-N 2 2 400.596 4.081 20 0 HIADLP COc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OCc1ccccc1 ZINC000508633266 917397818 /nfs/dbraw/zinc/39/78/18/917397818.db2.gz WSPXHKMARAOTDO-OAQYLSRUSA-N 2 2 405.542 4.462 20 0 HIADLP COc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OCc1ccccc1 ZINC000508633266 917397830 /nfs/dbraw/zinc/39/78/30/917397830.db2.gz WSPXHKMARAOTDO-OAQYLSRUSA-N 2 2 405.542 4.462 20 0 HIADLP COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OCc1ccccc1 ZINC000508678397 917441499 /nfs/dbraw/zinc/44/14/99/917441499.db2.gz NUGYSLVWLHPLJG-OAQYLSRUSA-N 2 2 405.542 4.462 20 0 HIADLP COc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OCc1ccccc1 ZINC000508678397 917441507 /nfs/dbraw/zinc/44/15/07/917441507.db2.gz NUGYSLVWLHPLJG-OAQYLSRUSA-N 2 2 405.542 4.462 20 0 HIADLP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2ccncc2)no1 ZINC000508696355 917456958 /nfs/dbraw/zinc/45/69/58/917456958.db2.gz HRVQYTGCRFDTQP-COPCDDAFSA-N 2 2 405.546 4.329 20 0 HIADLP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2ccncc2)no1 ZINC000508696355 917456969 /nfs/dbraw/zinc/45/69/69/917456969.db2.gz HRVQYTGCRFDTQP-COPCDDAFSA-N 2 2 405.546 4.329 20 0 HIADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+](C)C ZINC000508896169 917651283 /nfs/dbraw/zinc/65/12/83/917651283.db2.gz HVKBYSQADOKGIT-AUSIDOKSSA-N 2 2 423.605 4.108 20 0 HIADLP CC[N@H+](CCC(=O)c1ccc(OC)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000509348103 918012858 /nfs/dbraw/zinc/01/28/58/918012858.db2.gz KEORSPJAYMHMPM-UHFFFAOYSA-N 2 2 424.589 4.481 20 0 HIADLP CC[N@@H+](CCC(=O)c1ccc(OC)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000509348103 918012873 /nfs/dbraw/zinc/01/28/73/918012873.db2.gz KEORSPJAYMHMPM-UHFFFAOYSA-N 2 2 424.589 4.481 20 0 HIADLP COc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1OCC(F)(F)F ZINC000509623273 918269434 /nfs/dbraw/zinc/26/94/34/918269434.db2.gz YDAWCKGKOYIMIS-UHFFFAOYSA-N 2 2 405.420 4.171 20 0 HIADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000509630986 918274275 /nfs/dbraw/zinc/27/42/75/918274275.db2.gz CVXSOTLYUJWYAX-UHFFFAOYSA-N 2 2 414.513 4.063 20 0 HIADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(Br)ccc2OCCOCC)CC1 ZINC000510449649 918905633 /nfs/dbraw/zinc/90/56/33/918905633.db2.gz MCVYFVFHYRQEDZ-UHFFFAOYSA-N 2 2 413.400 4.171 20 0 HIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)ccc2OCCOCC)CC1 ZINC000510449649 918905649 /nfs/dbraw/zinc/90/56/49/918905649.db2.gz MCVYFVFHYRQEDZ-UHFFFAOYSA-N 2 2 413.400 4.171 20 0 HIADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)[NH+](C)C ZINC000510552542 918996985 /nfs/dbraw/zinc/99/69/85/918996985.db2.gz VYMXXTQACLXSRQ-MHECFPHRSA-N 2 2 417.557 4.127 20 0 HIADLP C[N@H+](Cc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000510719700 919162639 /nfs/dbraw/zinc/16/26/39/919162639.db2.gz LGHXKXJXDKRRED-FQEVSTJZSA-N 2 2 407.562 4.247 20 0 HIADLP C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000510719700 919162645 /nfs/dbraw/zinc/16/26/45/919162645.db2.gz LGHXKXJXDKRRED-FQEVSTJZSA-N 2 2 407.562 4.247 20 0 HIADLP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000510936907 919461606 /nfs/dbraw/zinc/46/16/06/919461606.db2.gz WRKUJWQUXRNUIV-LOSJGSFVSA-N 2 2 419.613 4.281 20 0 HIADLP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000510936907 919461619 /nfs/dbraw/zinc/46/16/19/919461619.db2.gz WRKUJWQUXRNUIV-LOSJGSFVSA-N 2 2 419.613 4.281 20 0 HIADLP COc1ccccc1CCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938249 919462066 /nfs/dbraw/zinc/46/20/66/919462066.db2.gz UZCKHZGNIUOVJK-UHFFFAOYSA-N 2 2 418.335 4.382 20 0 HIADLP COc1ccccc1CCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938249 919462084 /nfs/dbraw/zinc/46/20/84/919462084.db2.gz UZCKHZGNIUOVJK-UHFFFAOYSA-N 2 2 418.335 4.382 20 0 HIADLP CCCC[N@H+](C)CC1CCN(C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000511300149 919894559 /nfs/dbraw/zinc/89/45/59/919894559.db2.gz HSZQKRASALMHOG-GOSISDBHSA-N 2 2 421.655 4.351 20 0 HIADLP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000511300149 919894561 /nfs/dbraw/zinc/89/45/61/919894561.db2.gz HSZQKRASALMHOG-GOSISDBHSA-N 2 2 421.655 4.351 20 0 HIADLP CCCC[NH+](C)CC1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000511300149 919894563 /nfs/dbraw/zinc/89/45/63/919894563.db2.gz HSZQKRASALMHOG-GOSISDBHSA-N 2 2 421.655 4.351 20 0 HIADLP CCCC[NH+](C)CC1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000511300149 919894569 /nfs/dbraw/zinc/89/45/69/919894569.db2.gz HSZQKRASALMHOG-GOSISDBHSA-N 2 2 421.655 4.351 20 0 HIADLP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccccc1Br ZINC000511719170 920385369 /nfs/dbraw/zinc/38/53/69/920385369.db2.gz FYKPNIFSDMISNN-KRWDZBQOSA-N 2 2 424.427 4.211 20 0 HIADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccccc1Br ZINC000511719170 920385390 /nfs/dbraw/zinc/38/53/90/920385390.db2.gz FYKPNIFSDMISNN-KRWDZBQOSA-N 2 2 424.427 4.211 20 0 HIADLP C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511949303 920706804 /nfs/dbraw/zinc/70/68/04/920706804.db2.gz QHMFSLYLALUVBP-SQNIBIBYSA-N 2 2 419.639 4.150 20 0 HIADLP C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511949303 920706833 /nfs/dbraw/zinc/70/68/33/920706833.db2.gz QHMFSLYLALUVBP-SQNIBIBYSA-N 2 2 419.639 4.150 20 0 HIADLP C[C@H](NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511949303 920706865 /nfs/dbraw/zinc/70/68/65/920706865.db2.gz QHMFSLYLALUVBP-SQNIBIBYSA-N 2 2 419.639 4.150 20 0 HIADLP C[C@H](NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511949303 920706889 /nfs/dbraw/zinc/70/68/89/920706889.db2.gz QHMFSLYLALUVBP-SQNIBIBYSA-N 2 2 419.639 4.150 20 0 HIADLP C[N@H+](C[C@H](O)COc1cccc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512302526 921058422 /nfs/dbraw/zinc/05/84/22/921058422.db2.gz FNIHIWPTZYKADX-DEOSSOPVSA-N 2 2 404.554 4.176 20 0 HIADLP C[N@@H+](C[C@H](O)COc1cccc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512302526 921058433 /nfs/dbraw/zinc/05/84/33/921058433.db2.gz FNIHIWPTZYKADX-DEOSSOPVSA-N 2 2 404.554 4.176 20 0 HIADLP COc1cc(OC)cc(Oc2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)c1 ZINC000512354382 921100103 /nfs/dbraw/zinc/10/01/03/921100103.db2.gz BTZWLAHFZUSBKU-UHFFFAOYSA-N 2 2 413.543 4.304 20 0 HIADLP Cc1nc(COc2ccc(C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc2)no1 ZINC000513503517 921852243 /nfs/dbraw/zinc/85/22/43/921852243.db2.gz SJDLLXQGZWKPNE-UHFFFAOYSA-N 2 2 406.530 4.053 20 0 HIADLP Cc1nc(COc2ccc(C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc2)no1 ZINC000513503517 921852258 /nfs/dbraw/zinc/85/22/58/921852258.db2.gz SJDLLXQGZWKPNE-UHFFFAOYSA-N 2 2 406.530 4.053 20 0 HIADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000514243268 922584199 /nfs/dbraw/zinc/58/41/99/922584199.db2.gz ZYIHOVZUMKCPMW-JOCHJYFZSA-N 2 2 423.948 4.162 20 0 HIADLP CSC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000516594626 923806132 /nfs/dbraw/zinc/80/61/32/923806132.db2.gz FHCPJUZHXYIYPC-GOSISDBHSA-N 2 2 402.526 4.344 20 0 HIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000517918075 926889981 /nfs/dbraw/zinc/88/99/81/926889981.db2.gz WFOHABCQMIZMQC-SFTDATJTSA-N 2 2 423.605 4.251 20 0 HIADLP O=C([C@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000518763632 927481709 /nfs/dbraw/zinc/48/17/09/927481709.db2.gz GKLYMKVQYUDWMP-HSZRJFAPSA-N 2 2 411.977 4.039 20 0 HIADLP O=C([C@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000518763632 927481715 /nfs/dbraw/zinc/48/17/15/927481715.db2.gz GKLYMKVQYUDWMP-HSZRJFAPSA-N 2 2 411.977 4.039 20 0 HIADLP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000518763632 927481728 /nfs/dbraw/zinc/48/17/28/927481728.db2.gz GKLYMKVQYUDWMP-HSZRJFAPSA-N 2 2 411.977 4.039 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000519830223 928087050 /nfs/dbraw/zinc/08/70/50/928087050.db2.gz UROJTQCBVAOCFM-UHFFFAOYSA-N 2 2 402.922 4.291 20 0 HIADLP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000520601262 928665104 /nfs/dbraw/zinc/66/51/04/928665104.db2.gz KYHBDFKQSQQPCE-FQEVSTJZSA-N 2 2 424.589 4.243 20 0 HIADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000521597774 929319699 /nfs/dbraw/zinc/31/96/99/929319699.db2.gz NIIOMNORUGXDKC-SFHVURJKSA-N 2 2 416.566 4.119 20 0 HIADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000521597774 929319706 /nfs/dbraw/zinc/31/97/06/929319706.db2.gz NIIOMNORUGXDKC-SFHVURJKSA-N 2 2 416.566 4.119 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000524884189 929871994 /nfs/dbraw/zinc/87/19/94/929871994.db2.gz VYHSQLFRYXYVQD-AVRDEDQJSA-N 2 2 412.480 4.197 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000524884189 929871995 /nfs/dbraw/zinc/87/19/95/929871995.db2.gz VYHSQLFRYXYVQD-AVRDEDQJSA-N 2 2 412.480 4.197 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531188807 930957993 /nfs/dbraw/zinc/95/79/93/930957993.db2.gz GFJYLRFXQIPGLU-LLVKDONJSA-N 2 2 400.832 4.289 20 0 HIADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000531644463 931137202 /nfs/dbraw/zinc/13/72/02/931137202.db2.gz XOWIXWBIWNQSGK-IBGZPJMESA-N 2 2 407.345 4.191 20 0 HIADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000531940176 931255353 /nfs/dbraw/zinc/25/53/53/931255353.db2.gz ORGADIKZLFZOJV-GOSISDBHSA-N 2 2 410.949 4.112 20 0 HIADLP COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000532045820 931296174 /nfs/dbraw/zinc/29/61/74/931296174.db2.gz CBVVOSIMUWOKOS-UHFFFAOYSA-N 2 2 402.538 4.484 20 0 HIADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000532195144 931344463 /nfs/dbraw/zinc/34/44/63/931344463.db2.gz YVEMQZWJIMEJJQ-SFHVURJKSA-N 2 2 410.949 4.112 20 0 HIADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000532497089 931461967 /nfs/dbraw/zinc/46/19/67/931461967.db2.gz CINIPWCHLUZLNV-DENIHFKCSA-N 2 2 406.599 4.449 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC000532586055 931542379 /nfs/dbraw/zinc/54/23/79/931542379.db2.gz UDGBYEBMNUELKC-GBXCKJPGSA-N 2 2 423.601 4.146 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC000532586055 931542393 /nfs/dbraw/zinc/54/23/93/931542393.db2.gz UDGBYEBMNUELKC-GBXCKJPGSA-N 2 2 423.601 4.146 20 0 HIADLP CCOc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1OC(F)F ZINC000532866379 931671911 /nfs/dbraw/zinc/67/19/11/931671911.db2.gz MCSZBBCXOVSTCI-UHFFFAOYSA-N 2 2 420.504 4.224 20 0 HIADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000533502806 931886005 /nfs/dbraw/zinc/88/60/05/931886005.db2.gz IXNBHIZCTGMUHH-NRFANRHFSA-N 2 2 403.530 4.214 20 0 HIADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000533502806 931886008 /nfs/dbraw/zinc/88/60/08/931886008.db2.gz IXNBHIZCTGMUHH-NRFANRHFSA-N 2 2 403.530 4.214 20 0 HIADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)c1cc2ccccc2o1 ZINC000533527349 931895068 /nfs/dbraw/zinc/89/50/68/931895068.db2.gz UFQIWQHVLFJBQT-HXUWFJFHSA-N 2 2 400.482 4.013 20 0 HIADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)c1cc2ccccc2o1 ZINC000533527349 931895069 /nfs/dbraw/zinc/89/50/69/931895069.db2.gz UFQIWQHVLFJBQT-HXUWFJFHSA-N 2 2 400.482 4.013 20 0 HIADLP CC[N@H+](Cc1cn2c(cccc2C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532784 931896296 /nfs/dbraw/zinc/89/62/96/931896296.db2.gz MSWNRBHOVSHHIR-UHFFFAOYSA-N 2 2 406.578 4.355 20 0 HIADLP CC[N@@H+](Cc1cn2c(cccc2C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532784 931896297 /nfs/dbraw/zinc/89/62/97/931896297.db2.gz MSWNRBHOVSHHIR-UHFFFAOYSA-N 2 2 406.578 4.355 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000533649702 931945654 /nfs/dbraw/zinc/94/56/54/931945654.db2.gz RPLJKCPUMBHISJ-WTOYTKOKSA-N 2 2 406.014 4.239 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000533649702 931945662 /nfs/dbraw/zinc/94/56/62/931945662.db2.gz RPLJKCPUMBHISJ-WTOYTKOKSA-N 2 2 406.014 4.239 20 0 HIADLP CC(C)[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000533663239 931956145 /nfs/dbraw/zinc/95/61/45/931956145.db2.gz WKWAYJVJJZFCLD-SGNDLWITSA-N 2 2 414.638 4.362 20 0 HIADLP CC(C)[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000533663239 931956157 /nfs/dbraw/zinc/95/61/57/931956157.db2.gz WKWAYJVJJZFCLD-SGNDLWITSA-N 2 2 414.638 4.362 20 0 HIADLP Cc1cc(Cl)ccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213059 932335109 /nfs/dbraw/zinc/33/51/09/932335109.db2.gz BKRAPTJGAGQTSQ-SFTDATJTSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cc(Cl)ccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213059 932335118 /nfs/dbraw/zinc/33/51/18/932335118.db2.gz BKRAPTJGAGQTSQ-SFTDATJTSA-N 2 2 407.002 4.449 20 0 HIADLP CCS[C@@H](C)c1noc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534231104 932351510 /nfs/dbraw/zinc/35/15/10/932351510.db2.gz YQMAXZLIKWCNKS-SFHVURJKSA-N 2 2 400.592 4.372 20 0 HIADLP CCS[C@@H](C)c1noc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534231104 932351518 /nfs/dbraw/zinc/35/15/18/932351518.db2.gz YQMAXZLIKWCNKS-SFHVURJKSA-N 2 2 400.592 4.372 20 0 HIADLP CN(C(=O)CCc1cc(Cl)cs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357928 932391660 /nfs/dbraw/zinc/39/16/60/932391660.db2.gz CINJTBLEZUFKHB-UXHICEINSA-N 2 2 412.043 4.130 20 0 HIADLP CN(C(=O)CCc1cc(Cl)cs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357928 932391669 /nfs/dbraw/zinc/39/16/69/932391669.db2.gz CINJTBLEZUFKHB-UXHICEINSA-N 2 2 412.043 4.130 20 0 HIADLP Cc1cc(CCCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000534362557 932396081 /nfs/dbraw/zinc/39/60/81/932396081.db2.gz IMZVRRWREDZPIJ-GOTSBHOMSA-N 2 2 419.679 4.483 20 0 HIADLP Cc1cc(CCCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000534362557 932396089 /nfs/dbraw/zinc/39/60/89/932396089.db2.gz IMZVRRWREDZPIJ-GOTSBHOMSA-N 2 2 419.679 4.483 20 0 HIADLP CN(C(=O)NCc1ccc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534383776 932409690 /nfs/dbraw/zinc/40/96/90/932409690.db2.gz GKRNCAQGWKNJCX-DQEYMECFSA-N 2 2 422.617 4.318 20 0 HIADLP CN(C(=O)NCc1ccc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534383776 932409694 /nfs/dbraw/zinc/40/96/94/932409694.db2.gz GKRNCAQGWKNJCX-DQEYMECFSA-N 2 2 422.617 4.318 20 0 HIADLP Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534385551 932411474 /nfs/dbraw/zinc/41/14/74/932411474.db2.gz WQLZAAHFUUFBFF-AJSBUHFISA-N 2 2 400.611 4.035 20 0 HIADLP Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534385551 932411478 /nfs/dbraw/zinc/41/14/78/932411478.db2.gz WQLZAAHFUUFBFF-AJSBUHFISA-N 2 2 400.611 4.035 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000534599653 932586169 /nfs/dbraw/zinc/58/61/69/932586169.db2.gz MPRJPDVMEAWLGJ-HXUWFJFHSA-N 2 2 405.546 4.084 20 0 HIADLP Cc1cn2cc(NC(=O)NC[C@@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)c(F)c3)ccc2[nH+]1 ZINC000534967042 932865562 /nfs/dbraw/zinc/86/55/62/932865562.db2.gz RGULTPZUSPMPGO-YWZLYKJASA-N 2 2 415.900 4.250 20 0 HIADLP Cc1cn2cc(NC(=O)NC[C@@H]3CC[N@H+](C)[C@H]3c3ccc(Cl)c(F)c3)ccc2[nH+]1 ZINC000534967042 932865563 /nfs/dbraw/zinc/86/55/63/932865563.db2.gz RGULTPZUSPMPGO-YWZLYKJASA-N 2 2 415.900 4.250 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093309 932906100 /nfs/dbraw/zinc/90/61/00/932906100.db2.gz CMELUMAGARFXSO-WOJBJXKFSA-N 2 2 417.981 4.495 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093309 932906112 /nfs/dbraw/zinc/90/61/12/932906112.db2.gz CMELUMAGARFXSO-WOJBJXKFSA-N 2 2 417.981 4.495 20 0 HIADLP CN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094462 932907414 /nfs/dbraw/zinc/90/74/14/932907414.db2.gz HBGGQNCYOJEWNB-PMACEKPBSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094462 932907418 /nfs/dbraw/zinc/90/74/18/932907418.db2.gz HBGGQNCYOJEWNB-PMACEKPBSA-N 2 2 412.405 4.403 20 0 HIADLP Cc1cc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000535109081 932926751 /nfs/dbraw/zinc/92/67/51/932926751.db2.gz CDFNBEWKDXELJG-WTOYTKOKSA-N 2 2 420.667 4.405 20 0 HIADLP Cc1cc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000535109081 932926761 /nfs/dbraw/zinc/92/67/61/932926761.db2.gz CDFNBEWKDXELJG-WTOYTKOKSA-N 2 2 420.667 4.405 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1C ZINC000535674454 933322584 /nfs/dbraw/zinc/32/25/84/933322584.db2.gz FIJHVCGODZHCTB-FQEVSTJZSA-N 2 2 421.585 4.393 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1C ZINC000535674454 933322596 /nfs/dbraw/zinc/32/25/96/933322596.db2.gz FIJHVCGODZHCTB-FQEVSTJZSA-N 2 2 421.585 4.393 20 0 HIADLP CCc1cccc2c(CC(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535849427 933430251 /nfs/dbraw/zinc/43/02/51/933430251.db2.gz AZJMKPBXVAPGAF-ZEQRLZLVSA-N 2 2 424.633 4.068 20 0 HIADLP CCc1cccc2c(CC(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535849427 933430255 /nfs/dbraw/zinc/43/02/55/933430255.db2.gz AZJMKPBXVAPGAF-ZEQRLZLVSA-N 2 2 424.633 4.068 20 0 HIADLP Cc1cccc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535867015 933449744 /nfs/dbraw/zinc/44/97/44/933449744.db2.gz MCDMSJNCCZKROG-FGCOXFRFSA-N 2 2 414.638 4.077 20 0 HIADLP Cc1cccc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535867015 933449753 /nfs/dbraw/zinc/44/97/53/933449753.db2.gz MCDMSJNCCZKROG-FGCOXFRFSA-N 2 2 414.638 4.077 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ncc(Br)s1 ZINC000535987403 933547307 /nfs/dbraw/zinc/54/73/07/933547307.db2.gz NFGQSKLABIDHRJ-RBSFLKMASA-N 2 2 424.408 4.366 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1Cl ZINC000562591780 945103928 /nfs/dbraw/zinc/10/39/28/945103928.db2.gz BUZCACMJIPKUNG-OALUTQOASA-N 2 2 409.977 4.197 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1Cl ZINC000562591780 945103933 /nfs/dbraw/zinc/10/39/33/945103933.db2.gz BUZCACMJIPKUNG-OALUTQOASA-N 2 2 409.977 4.197 20 0 HIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000537619397 938335623 /nfs/dbraw/zinc/33/56/23/938335623.db2.gz BRBURCOHMBDMFX-KRWDZBQOSA-N 2 2 405.384 4.107 20 0 HIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000537619397 938335627 /nfs/dbraw/zinc/33/56/27/938335627.db2.gz BRBURCOHMBDMFX-KRWDZBQOSA-N 2 2 405.384 4.107 20 0 HIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000537619397 938335630 /nfs/dbraw/zinc/33/56/30/938335630.db2.gz BRBURCOHMBDMFX-KRWDZBQOSA-N 2 2 405.384 4.107 20 0 HIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000537619397 938335635 /nfs/dbraw/zinc/33/56/35/938335635.db2.gz BRBURCOHMBDMFX-KRWDZBQOSA-N 2 2 405.384 4.107 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000537621305 938336815 /nfs/dbraw/zinc/33/68/15/938336815.db2.gz HNYJDBKJDKOPHW-PXNSSMCTSA-N 2 2 410.587 4.014 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000537621305 938336821 /nfs/dbraw/zinc/33/68/21/938336821.db2.gz HNYJDBKJDKOPHW-PXNSSMCTSA-N 2 2 410.587 4.014 20 0 HIADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537621617 938336892 /nfs/dbraw/zinc/33/68/92/938336892.db2.gz ASVNUOWRUBDRGW-UHFFFAOYSA-N 3 2 423.649 4.117 20 0 HIADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537621617 938336894 /nfs/dbraw/zinc/33/68/94/938336894.db2.gz ASVNUOWRUBDRGW-UHFFFAOYSA-N 3 2 423.649 4.117 20 0 HIADLP COCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000537695300 938357093 /nfs/dbraw/zinc/35/70/93/938357093.db2.gz JNUQDQZYJQJJDW-BJKOFHAPSA-N 2 2 424.585 4.207 20 0 HIADLP COCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000537695300 938357099 /nfs/dbraw/zinc/35/70/99/938357099.db2.gz JNUQDQZYJQJJDW-BJKOFHAPSA-N 2 2 424.585 4.207 20 0 HIADLP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC000537695300 938357103 /nfs/dbraw/zinc/35/71/03/938357103.db2.gz JNUQDQZYJQJJDW-BJKOFHAPSA-N 2 2 424.585 4.207 20 0 HIADLP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1OC ZINC000537695300 938357108 /nfs/dbraw/zinc/35/71/08/938357108.db2.gz JNUQDQZYJQJJDW-BJKOFHAPSA-N 2 2 424.585 4.207 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000537843883 938388074 /nfs/dbraw/zinc/38/80/74/938388074.db2.gz HUYPNDVURCKIOW-SFHVURJKSA-N 2 2 410.562 4.039 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000537843883 938388077 /nfs/dbraw/zinc/38/80/77/938388077.db2.gz HUYPNDVURCKIOW-SFHVURJKSA-N 2 2 410.562 4.039 20 0 HIADLP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537940331 938425436 /nfs/dbraw/zinc/42/54/36/938425436.db2.gz FMLUBHJBJKFMRS-IDKQNPPTSA-N 3 2 406.618 4.182 20 0 HIADLP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537940331 938425442 /nfs/dbraw/zinc/42/54/42/938425442.db2.gz FMLUBHJBJKFMRS-IDKQNPPTSA-N 3 2 406.618 4.182 20 0 HIADLP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000537940331 938425448 /nfs/dbraw/zinc/42/54/48/938425448.db2.gz FMLUBHJBJKFMRS-IDKQNPPTSA-N 3 2 406.618 4.182 20 0 HIADLP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000537940331 938425453 /nfs/dbraw/zinc/42/54/53/938425453.db2.gz FMLUBHJBJKFMRS-IDKQNPPTSA-N 3 2 406.618 4.182 20 0 HIADLP CC(C)(C)C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000538179108 938540139 /nfs/dbraw/zinc/54/01/39/938540139.db2.gz KHWLTEJBMYYIQB-QHCPKHFHSA-N 2 2 409.574 4.224 20 0 HIADLP CC[C@@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1nnc2n1CCCCC2 ZINC000538260909 938577410 /nfs/dbraw/zinc/57/74/10/938577410.db2.gz LIPHKPMMHNEGJN-UXHICEINSA-N 2 2 409.578 4.033 20 0 HIADLP CN(C(=O)Nc1cc(F)cc(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538353293 938601772 /nfs/dbraw/zinc/60/17/72/938601772.db2.gz AEYDEILQGRFWDA-WOJBJXKFSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cc(F)cc(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538353293 938601774 /nfs/dbraw/zinc/60/17/74/938601774.db2.gz AEYDEILQGRFWDA-WOJBJXKFSA-N 2 2 410.965 4.280 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000538354763 938602287 /nfs/dbraw/zinc/60/22/87/938602287.db2.gz WUFGPQCQHXYWRO-YADHBBJMSA-N 2 2 404.574 4.189 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000538354763 938602289 /nfs/dbraw/zinc/60/22/89/938602289.db2.gz WUFGPQCQHXYWRO-YADHBBJMSA-N 2 2 404.574 4.189 20 0 HIADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(Br)c1 ZINC000538397918 938611144 /nfs/dbraw/zinc/61/11/44/938611144.db2.gz FICKXJCVBDTBGL-INIZCTEOSA-N 2 2 419.363 4.141 20 0 HIADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000538418819 938616541 /nfs/dbraw/zinc/61/65/41/938616541.db2.gz VEGOPPWSPBTSPI-HNAYVOBHSA-N 2 2 410.436 4.258 20 0 HIADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000538418819 938616545 /nfs/dbraw/zinc/61/65/45/938616545.db2.gz VEGOPPWSPBTSPI-HNAYVOBHSA-N 2 2 410.436 4.258 20 0 HIADLP COc1cc(OC)c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1Cl ZINC000538587791 938656105 /nfs/dbraw/zinc/65/61/05/938656105.db2.gz JDRZAZDPBLJOLV-OAHLLOKOSA-N 2 2 418.969 4.456 20 0 HIADLP C[C@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539077373 938795919 /nfs/dbraw/zinc/79/59/19/938795919.db2.gz LRANIAQCCPBLDU-FDDCHVKYSA-N 2 2 410.949 4.250 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000539085289 938799902 /nfs/dbraw/zinc/79/99/02/938799902.db2.gz WKXRXXZCZLBQGC-WIYYLYMNSA-N 2 2 407.587 4.033 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000539085289 938799908 /nfs/dbraw/zinc/79/99/08/938799908.db2.gz WKXRXXZCZLBQGC-WIYYLYMNSA-N 2 2 407.587 4.033 20 0 HIADLP CC[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(F)ccc1F ZINC000539360633 938848375 /nfs/dbraw/zinc/84/83/75/938848375.db2.gz NABCJJBWPQIKRI-NRFANRHFSA-N 2 2 419.541 4.193 20 0 HIADLP COc1c(C)ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000539443392 938861518 /nfs/dbraw/zinc/86/15/18/938861518.db2.gz SVSYBLRCQDWMQW-FGZHOGPDSA-N 2 2 416.610 4.113 20 0 HIADLP COc1c(C)ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000539443392 938861519 /nfs/dbraw/zinc/86/15/19/938861519.db2.gz SVSYBLRCQDWMQW-FGZHOGPDSA-N 2 2 416.610 4.113 20 0 HIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1nc2ccc(Cl)cc2n1C ZINC000539691677 938903045 /nfs/dbraw/zinc/90/30/45/938903045.db2.gz QMIZVYVXICZWHV-OAHLLOKOSA-N 2 2 412.969 4.325 20 0 HIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1nc2ccc(Cl)cc2n1C ZINC000539691675 938903427 /nfs/dbraw/zinc/90/34/27/938903427.db2.gz QMIZVYVXICZWHV-HNNXBMFYSA-N 2 2 412.969 4.325 20 0 HIADLP Clc1ccc(-n2cc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)nn2)c(Cl)c1 ZINC000539712149 938909073 /nfs/dbraw/zinc/90/90/73/938909073.db2.gz GMGRQKXSMUAFFH-UHFFFAOYSA-N 2 2 416.356 4.460 20 0 HIADLP COc1sc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1Br ZINC000539830456 938950764 /nfs/dbraw/zinc/95/07/64/938950764.db2.gz XFSCAORRLVQGOM-MRXNPFEDSA-N 2 2 409.393 4.473 20 0 HIADLP COc1sc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1Br ZINC000539830456 938950768 /nfs/dbraw/zinc/95/07/68/938950768.db2.gz XFSCAORRLVQGOM-MRXNPFEDSA-N 2 2 409.393 4.473 20 0 HIADLP COc1sc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000539830456 938950773 /nfs/dbraw/zinc/95/07/73/938950773.db2.gz XFSCAORRLVQGOM-MRXNPFEDSA-N 2 2 409.393 4.473 20 0 HIADLP COc1sc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000539830456 938950782 /nfs/dbraw/zinc/95/07/82/938950782.db2.gz XFSCAORRLVQGOM-MRXNPFEDSA-N 2 2 409.393 4.473 20 0 HIADLP CCCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540536143 939294307 /nfs/dbraw/zinc/29/43/07/939294307.db2.gz ALAHENHROLGMHZ-DHIUTWEWSA-N 2 2 416.610 4.276 20 0 HIADLP CCCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540536143 939294315 /nfs/dbraw/zinc/29/43/15/939294315.db2.gz ALAHENHROLGMHZ-DHIUTWEWSA-N 2 2 416.610 4.276 20 0 HIADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(Br)c1 ZINC000540597035 939315522 /nfs/dbraw/zinc/31/55/22/939315522.db2.gz JNJIUOOVHWFUSA-INIZCTEOSA-N 2 2 419.363 4.141 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000540756042 939361106 /nfs/dbraw/zinc/36/11/06/939361106.db2.gz AWDIEGDFSKVYFG-KXBFYZLASA-N 2 2 408.575 4.222 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541201659 939485458 /nfs/dbraw/zinc/48/54/58/939485458.db2.gz BCNZYOTVKOHLKZ-INIZCTEOSA-N 2 2 424.467 4.301 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccco1 ZINC000541396976 939504951 /nfs/dbraw/zinc/50/49/51/939504951.db2.gz ZQUHAJZHLSQORA-CTNGQTDRSA-N 2 2 412.578 4.286 20 0 HIADLP CCc1ccc([C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000541406709 939507450 /nfs/dbraw/zinc/50/74/50/939507450.db2.gz PBFSHVHMLZYSEN-UPVQGACJSA-N 2 2 422.617 4.475 20 0 HIADLP Fc1cccc(Cl)c1C[NH+]1CCC(Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000541901639 939650075 /nfs/dbraw/zinc/65/00/75/939650075.db2.gz DUAIJPWILHHKIZ-UHFFFAOYSA-N 2 2 417.956 4.388 20 0 HIADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542105667 939715445 /nfs/dbraw/zinc/71/54/45/939715445.db2.gz VECTXOKNQDXYPJ-UHFFFAOYSA-N 2 2 423.605 4.271 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000542352802 939806222 /nfs/dbraw/zinc/80/62/22/939806222.db2.gz SSADFLPRXRLKEJ-UHFFFAOYSA-N 2 2 410.521 4.434 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000542352802 939806224 /nfs/dbraw/zinc/80/62/24/939806224.db2.gz SSADFLPRXRLKEJ-UHFFFAOYSA-N 2 2 410.521 4.434 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000542466498 939828011 /nfs/dbraw/zinc/82/80/11/939828011.db2.gz MIVRIGXEZPMGKZ-RUZDIDTESA-N 3 2 401.558 4.064 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000542466498 939828014 /nfs/dbraw/zinc/82/80/14/939828014.db2.gz MIVRIGXEZPMGKZ-RUZDIDTESA-N 3 2 401.558 4.064 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000542466498 939828016 /nfs/dbraw/zinc/82/80/16/939828016.db2.gz MIVRIGXEZPMGKZ-RUZDIDTESA-N 3 2 401.558 4.064 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000542466498 939828018 /nfs/dbraw/zinc/82/80/18/939828018.db2.gz MIVRIGXEZPMGKZ-RUZDIDTESA-N 3 2 401.558 4.064 20 0 HIADLP Clc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000542667663 939852830 /nfs/dbraw/zinc/85/28/30/939852830.db2.gz UUAQZFYGLRWYEX-QHCPKHFHSA-N 2 2 400.950 4.218 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542936197 939881880 /nfs/dbraw/zinc/88/18/80/939881880.db2.gz MIXTXFLXFRQONW-FPOVZHCZSA-N 2 2 420.479 4.123 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542936197 939881881 /nfs/dbraw/zinc/88/18/81/939881881.db2.gz MIXTXFLXFRQONW-FPOVZHCZSA-N 2 2 420.479 4.123 20 0 HIADLP COC(=O)c1cccc(-c2nc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cs2)c1 ZINC000543061962 939915266 /nfs/dbraw/zinc/91/52/66/939915266.db2.gz VCQYPAFJSJRILC-UHFFFAOYSA-N 2 2 424.570 4.486 20 0 HIADLP Cc1cc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2cccnc2)ccc1F ZINC000543408460 940056196 /nfs/dbraw/zinc/05/61/96/940056196.db2.gz LVZXOPGABFICCE-VWLOTQADSA-N 2 2 405.517 4.241 20 0 HIADLP Cc1cc([C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c2cccnc2)ccc1F ZINC000543426870 940060845 /nfs/dbraw/zinc/06/08/45/940060845.db2.gz MPIGGVARNPIITA-XUZZJYLKSA-N 2 2 405.521 4.266 20 0 HIADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Br)c1OC ZINC000543459913 940070286 /nfs/dbraw/zinc/07/02/86/940070286.db2.gz GSSXXCKKQPYJMB-GDBMZVCRSA-N 2 2 411.384 4.209 20 0 HIADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Br)c1OC ZINC000543459913 940070287 /nfs/dbraw/zinc/07/02/87/940070287.db2.gz GSSXXCKKQPYJMB-GDBMZVCRSA-N 2 2 411.384 4.209 20 0 HIADLP C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543767535 940180137 /nfs/dbraw/zinc/18/01/37/940180137.db2.gz KNAPAMNSBYSJBB-RTBURBONSA-N 2 2 419.573 4.376 20 0 HIADLP C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543767535 940180141 /nfs/dbraw/zinc/18/01/41/940180141.db2.gz KNAPAMNSBYSJBB-RTBURBONSA-N 2 2 419.573 4.376 20 0 HIADLP CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1)c1ccccc1 ZINC000544177034 940344733 /nfs/dbraw/zinc/34/47/33/940344733.db2.gz NLBCAAGRLYZARW-QFIPXVFZSA-N 2 2 408.571 4.208 20 0 HIADLP O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000544181873 940345753 /nfs/dbraw/zinc/34/57/53/940345753.db2.gz RWKVFMOACTUSGQ-UHFFFAOYSA-N 2 2 409.559 4.360 20 0 HIADLP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544197927 940351708 /nfs/dbraw/zinc/35/17/08/940351708.db2.gz WTEVRCQNOBCQOD-LJQANCHMSA-N 2 2 410.562 4.202 20 0 HIADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000544386200 940408318 /nfs/dbraw/zinc/40/83/18/940408318.db2.gz RLDNCRYAZVEXET-NOZRDPDXSA-N 2 2 405.517 4.057 20 0 HIADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000544386200 940408319 /nfs/dbraw/zinc/40/83/19/940408319.db2.gz RLDNCRYAZVEXET-NOZRDPDXSA-N 2 2 405.517 4.057 20 0 HIADLP CC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nc(C)cs1 ZINC000544452749 940437140 /nfs/dbraw/zinc/43/71/40/940437140.db2.gz YGNDTCDZCOMPQT-RTBURBONSA-N 2 2 421.010 4.099 20 0 HIADLP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nc(C)cs1 ZINC000544452747 940437246 /nfs/dbraw/zinc/43/72/46/940437246.db2.gz YGNDTCDZCOMPQT-OALUTQOASA-N 2 2 421.010 4.099 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000544579227 940483623 /nfs/dbraw/zinc/48/36/23/940483623.db2.gz NRPQKPRVAYHJGT-RPWUZVMVSA-N 2 2 423.582 4.115 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)CC1 ZINC000545209222 940555932 /nfs/dbraw/zinc/55/59/32/940555932.db2.gz OYRGSVFHRSBFFO-ICSRJNTNSA-N 2 2 412.496 4.349 20 0 HIADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)c1O ZINC000545465909 940571116 /nfs/dbraw/zinc/57/11/16/940571116.db2.gz XKPRTQIPHTYDDS-CRAIPNDOSA-N 2 2 419.363 4.164 20 0 HIADLP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)c1O ZINC000545465909 940571117 /nfs/dbraw/zinc/57/11/17/940571117.db2.gz XKPRTQIPHTYDDS-CRAIPNDOSA-N 2 2 419.363 4.164 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000546619422 940861399 /nfs/dbraw/zinc/86/13/99/940861399.db2.gz YMTCZAPSWCFVSC-HXUWFJFHSA-N 2 2 400.485 4.410 20 0 HIADLP C[C@H](CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546667078 940867405 /nfs/dbraw/zinc/86/74/05/940867405.db2.gz CIORXFRKFXCKDP-FGCOXFRFSA-N 2 2 414.638 4.159 20 0 HIADLP C[C@H](CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546667078 940867406 /nfs/dbraw/zinc/86/74/06/940867406.db2.gz CIORXFRKFXCKDP-FGCOXFRFSA-N 2 2 414.638 4.159 20 0 HIADLP Cc1cccc(C)c1[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000546911799 940910481 /nfs/dbraw/zinc/91/04/81/940910481.db2.gz QBMKTAHNPJSHFT-PMVMPFDFSA-N 2 2 414.638 4.343 20 0 HIADLP Cc1cccc(C)c1[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000546911799 940910486 /nfs/dbraw/zinc/91/04/86/940910486.db2.gz QBMKTAHNPJSHFT-PMVMPFDFSA-N 2 2 414.638 4.343 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000547325474 941056261 /nfs/dbraw/zinc/05/62/61/941056261.db2.gz JEEJUCGVSHZFJF-HNNXBMFYSA-N 2 2 419.566 4.326 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)c2sccc2C)CC1 ZINC000547325146 941056319 /nfs/dbraw/zinc/05/63/19/941056319.db2.gz FHQUPUGLSHOPEK-OAQYLSRUSA-N 2 2 400.588 4.348 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000547508460 941066331 /nfs/dbraw/zinc/06/63/31/941066331.db2.gz IMLBTRYNXKRUDD-DNVCBOLYSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000547508460 941066333 /nfs/dbraw/zinc/06/63/33/941066333.db2.gz IMLBTRYNXKRUDD-DNVCBOLYSA-N 2 2 406.357 4.432 20 0 HIADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)CC1 ZINC000547829542 941077671 /nfs/dbraw/zinc/07/76/71/941077671.db2.gz VMRMAERFAKNFIP-QGZVFWFLSA-N 2 2 405.011 4.064 20 0 HIADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)CC1 ZINC000547829542 941077672 /nfs/dbraw/zinc/07/76/72/941077672.db2.gz VMRMAERFAKNFIP-QGZVFWFLSA-N 2 2 405.011 4.064 20 0 HIADLP CN(C(=O)c1coc(C2CCCCC2)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000547945452 941080137 /nfs/dbraw/zinc/08/01/37/941080137.db2.gz TVVHVUKSNUBEHW-VXKWHMMOSA-N 2 2 416.610 4.132 20 0 HIADLP CN(C(=O)c1coc(C2CCCCC2)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000547945452 941080138 /nfs/dbraw/zinc/08/01/38/941080138.db2.gz TVVHVUKSNUBEHW-VXKWHMMOSA-N 2 2 416.610 4.132 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000548889372 941127973 /nfs/dbraw/zinc/12/79/73/941127973.db2.gz CPKVOGTWAYOFBV-UHFFFAOYSA-N 2 2 413.565 4.277 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000548889372 941127975 /nfs/dbraw/zinc/12/79/75/941127975.db2.gz CPKVOGTWAYOFBV-UHFFFAOYSA-N 2 2 413.565 4.277 20 0 HIADLP CN(C(=O)Nc1nc(C(C)(C)C)cs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549537478 941198511 /nfs/dbraw/zinc/19/85/11/941198511.db2.gz RVVXFBJQKNEAIV-ZWKOTPCHSA-N 2 2 421.655 4.242 20 0 HIADLP CN(C(=O)Nc1nc(C(C)(C)C)cs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549537478 941198512 /nfs/dbraw/zinc/19/85/12/941198512.db2.gz RVVXFBJQKNEAIV-ZWKOTPCHSA-N 2 2 421.655 4.242 20 0 HIADLP CCC1(C[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000550699571 941355451 /nfs/dbraw/zinc/35/54/51/941355451.db2.gz JVHWHCXRZAETDV-QFIPXVFZSA-N 2 2 407.537 4.315 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@H]1c1ccccc1 ZINC000551085985 941406915 /nfs/dbraw/zinc/40/69/15/941406915.db2.gz KIUCIIQFJRUJHD-ZVDOUQERSA-N 2 2 417.475 4.236 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@H]1c1ccccc1 ZINC000551085985 941406918 /nfs/dbraw/zinc/40/69/18/941406918.db2.gz KIUCIIQFJRUJHD-ZVDOUQERSA-N 2 2 417.475 4.236 20 0 HIADLP COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CCN2C2CC2)c1 ZINC000551164301 941420714 /nfs/dbraw/zinc/42/07/14/941420714.db2.gz VWHGLIKQOXOEBR-JLZPKONASA-N 2 2 405.586 4.398 20 0 HIADLP COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CCN2C2CC2)c1 ZINC000551164301 941420717 /nfs/dbraw/zinc/42/07/17/941420717.db2.gz VWHGLIKQOXOEBR-JLZPKONASA-N 2 2 405.586 4.398 20 0 HIADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551704590 941529902 /nfs/dbraw/zinc/52/99/02/941529902.db2.gz AURZEKIDZGCUAE-ZEQRLZLVSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551704590 941529913 /nfs/dbraw/zinc/52/99/13/941529913.db2.gz AURZEKIDZGCUAE-ZEQRLZLVSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551704590 941529917 /nfs/dbraw/zinc/52/99/17/941529917.db2.gz AURZEKIDZGCUAE-ZEQRLZLVSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551704590 941529922 /nfs/dbraw/zinc/52/99/22/941529922.db2.gz AURZEKIDZGCUAE-ZEQRLZLVSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551704588 941530237 /nfs/dbraw/zinc/53/02/37/941530237.db2.gz AURZEKIDZGCUAE-DNQXCXABSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551704588 941530238 /nfs/dbraw/zinc/53/02/38/941530238.db2.gz AURZEKIDZGCUAE-DNQXCXABSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551704588 941530241 /nfs/dbraw/zinc/53/02/41/941530241.db2.gz AURZEKIDZGCUAE-DNQXCXABSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551704588 941530243 /nfs/dbraw/zinc/53/02/43/941530243.db2.gz AURZEKIDZGCUAE-DNQXCXABSA-N 2 2 418.585 4.100 20 0 HIADLP CSCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000553276141 941859624 /nfs/dbraw/zinc/85/96/24/941859624.db2.gz KGNPSCMZOLKSHT-FCHUYYIVSA-N 2 2 418.651 4.351 20 0 HIADLP CSCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000553276141 941859626 /nfs/dbraw/zinc/85/96/26/941859626.db2.gz KGNPSCMZOLKSHT-FCHUYYIVSA-N 2 2 418.651 4.351 20 0 HIADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553497733 941896070 /nfs/dbraw/zinc/89/60/70/941896070.db2.gz HGLFZSONWPWYKO-VWNXMTODSA-N 2 2 416.569 4.302 20 0 HIADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553497733 941896072 /nfs/dbraw/zinc/89/60/72/941896072.db2.gz HGLFZSONWPWYKO-VWNXMTODSA-N 2 2 416.569 4.302 20 0 HIADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554310182 942098480 /nfs/dbraw/zinc/09/84/80/942098480.db2.gz BYQBIUUWSHSONY-PGRDOPGGSA-N 2 2 411.615 4.300 20 0 HIADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554310182 942098486 /nfs/dbraw/zinc/09/84/86/942098486.db2.gz BYQBIUUWSHSONY-PGRDOPGGSA-N 2 2 411.615 4.300 20 0 HIADLP CCCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OCC ZINC000554889094 942309446 /nfs/dbraw/zinc/30/94/46/942309446.db2.gz FZVPSNLSPAHGKH-YJBOKZPZSA-N 2 2 413.400 4.409 20 0 HIADLP CCCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OCC ZINC000554889094 942309454 /nfs/dbraw/zinc/30/94/54/942309454.db2.gz FZVPSNLSPAHGKH-YJBOKZPZSA-N 2 2 413.400 4.409 20 0 HIADLP CCCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OCC ZINC000554889094 942309460 /nfs/dbraw/zinc/30/94/60/942309460.db2.gz FZVPSNLSPAHGKH-YJBOKZPZSA-N 2 2 413.400 4.409 20 0 HIADLP CCCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OCC ZINC000554889094 942309470 /nfs/dbraw/zinc/30/94/70/942309470.db2.gz FZVPSNLSPAHGKH-YJBOKZPZSA-N 2 2 413.400 4.409 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000555871196 942760415 /nfs/dbraw/zinc/76/04/15/942760415.db2.gz WCCKUDDXZYCMQT-WOJBJXKFSA-N 2 2 421.589 4.481 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1=O ZINC000556241787 942825271 /nfs/dbraw/zinc/82/52/71/942825271.db2.gz SBWNLXJNKRLGDD-LZQXYRQZSA-N 2 2 409.549 4.303 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1=O ZINC000556241787 942825273 /nfs/dbraw/zinc/82/52/73/942825273.db2.gz SBWNLXJNKRLGDD-LZQXYRQZSA-N 2 2 409.549 4.303 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000558975366 943779385 /nfs/dbraw/zinc/77/93/85/943779385.db2.gz PIRCPLBNAXWPKA-NQHRYMMQSA-N 2 2 422.569 4.049 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000558975366 943779396 /nfs/dbraw/zinc/77/93/96/943779396.db2.gz PIRCPLBNAXWPKA-NQHRYMMQSA-N 2 2 422.569 4.049 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3conc3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000559245200 943885389 /nfs/dbraw/zinc/88/53/89/943885389.db2.gz VDERHVMRGCBMOE-BGYRXZFFSA-N 2 2 405.542 4.164 20 0 HIADLP Cc1c2cccc(Cl)c2sc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000559303284 943893231 /nfs/dbraw/zinc/89/32/31/943893231.db2.gz OKESAHSKXLCRJB-MQVJKMGUSA-N 2 2 405.995 4.036 20 0 HIADLP Cc1c2cccc(Cl)c2sc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000559303284 943893234 /nfs/dbraw/zinc/89/32/34/943893234.db2.gz OKESAHSKXLCRJB-MQVJKMGUSA-N 2 2 405.995 4.036 20 0 HIADLP CC[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000560558701 944254594 /nfs/dbraw/zinc/25/45/94/944254594.db2.gz GCURTPNWMQWSKC-UHFFFAOYSA-N 2 2 411.500 4.488 20 0 HIADLP CC[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000560558701 944254599 /nfs/dbraw/zinc/25/45/99/944254599.db2.gz GCURTPNWMQWSKC-UHFFFAOYSA-N 2 2 411.500 4.488 20 0 HIADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccncc3OCc3ccccc3)CC2)cc1 ZINC000560571616 944258181 /nfs/dbraw/zinc/25/81/81/944258181.db2.gz ZFJRWBNTHVBFSI-UHFFFAOYSA-N 2 2 401.554 4.457 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561155227 944485206 /nfs/dbraw/zinc/48/52/06/944485206.db2.gz GUQODTSWVOJLDT-RDPSFJRHSA-N 2 2 416.569 4.480 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561155227 944485221 /nfs/dbraw/zinc/48/52/21/944485221.db2.gz GUQODTSWVOJLDT-RDPSFJRHSA-N 2 2 416.569 4.480 20 0 HIADLP CC[NH+](CC)Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000561746103 944775773 /nfs/dbraw/zinc/77/57/73/944775773.db2.gz NUTJMNCVROYCLP-UHFFFAOYSA-N 2 2 406.530 4.078 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000562061436 944918476 /nfs/dbraw/zinc/91/84/76/944918476.db2.gz MRKKEMKGKAHEOM-TYPHKJRUSA-N 2 2 409.599 4.189 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000562061436 944918480 /nfs/dbraw/zinc/91/84/80/944918480.db2.gz MRKKEMKGKAHEOM-TYPHKJRUSA-N 2 2 409.599 4.189 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000562061436 944918490 /nfs/dbraw/zinc/91/84/90/944918490.db2.gz MRKKEMKGKAHEOM-TYPHKJRUSA-N 2 2 409.599 4.189 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000562061436 944918503 /nfs/dbraw/zinc/91/85/03/944918503.db2.gz MRKKEMKGKAHEOM-TYPHKJRUSA-N 2 2 409.599 4.189 20 0 HIADLP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564743453 945744753 /nfs/dbraw/zinc/74/47/53/945744753.db2.gz RKNGDTQOUKHHIK-QUCCMNQESA-N 2 2 421.006 4.004 20 0 HIADLP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564743453 945744759 /nfs/dbraw/zinc/74/47/59/945744759.db2.gz RKNGDTQOUKHHIK-QUCCMNQESA-N 2 2 421.006 4.004 20 0 HIADLP C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564743451 945744979 /nfs/dbraw/zinc/74/49/79/945744979.db2.gz RKNGDTQOUKHHIK-AZUAARDMSA-N 2 2 421.006 4.004 20 0 HIADLP C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564743451 945744985 /nfs/dbraw/zinc/74/49/85/945744985.db2.gz RKNGDTQOUKHHIK-AZUAARDMSA-N 2 2 421.006 4.004 20 0 HIADLP CC[N@H+](Cc1nc(-c2ccco2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000565276419 945801721 /nfs/dbraw/zinc/80/17/21/945801721.db2.gz OMDFYLCGMSFYAL-UHFFFAOYSA-N 2 2 410.522 4.042 20 0 HIADLP CC[N@@H+](Cc1nc(-c2ccco2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000565276419 945801724 /nfs/dbraw/zinc/80/17/24/945801724.db2.gz OMDFYLCGMSFYAL-UHFFFAOYSA-N 2 2 410.522 4.042 20 0 HIADLP c1ccc(CCCO[C@@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958078 945939194 /nfs/dbraw/zinc/93/91/94/945939194.db2.gz ZBYLCHIBWODILJ-CLJLJLNGSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCCO[C@@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958078 945939212 /nfs/dbraw/zinc/93/92/12/945939212.db2.gz ZBYLCHIBWODILJ-CLJLJLNGSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCCO[C@@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958078 945939229 /nfs/dbraw/zinc/93/92/29/945939229.db2.gz ZBYLCHIBWODILJ-CLJLJLNGSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCCO[C@@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958078 945939239 /nfs/dbraw/zinc/93/92/39/945939239.db2.gz ZBYLCHIBWODILJ-CLJLJLNGSA-N 2 2 408.586 4.001 20 0 HIADLP O=C(CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000566657597 946067786 /nfs/dbraw/zinc/06/77/86/946067786.db2.gz ZYBHVGHFHZROGQ-UHFFFAOYSA-N 2 2 416.525 4.461 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567256969 946280375 /nfs/dbraw/zinc/28/03/75/946280375.db2.gz HXWZKNKCJJSVJV-UHFFFAOYSA-N 2 2 414.553 4.060 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567256969 946280394 /nfs/dbraw/zinc/28/03/94/946280394.db2.gz HXWZKNKCJJSVJV-UHFFFAOYSA-N 2 2 414.553 4.060 20 0 HIADLP C[C@H]1C[N@H+](CC(Cc2ccccc2)Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000570559602 947299700 /nfs/dbraw/zinc/29/97/00/947299700.db2.gz IZCYHWLTJZPRIA-HOFKKMOUSA-N 2 2 405.630 4.046 20 0 HIADLP C[C@H]1C[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000570559602 947299723 /nfs/dbraw/zinc/29/97/23/947299723.db2.gz IZCYHWLTJZPRIA-HOFKKMOUSA-N 2 2 405.630 4.046 20 0 HIADLP CC(C[NH+](C)C[C@@H]1OCCc2ccccc21)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000572523733 947928559 /nfs/dbraw/zinc/92/85/59/947928559.db2.gz OCJZCTJGSGQNBF-UIOOFZCWSA-N 2 2 408.586 4.114 20 0 HIADLP CC(C[NH+](C)C[C@@H]1OCCc2ccccc21)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000572523733 947928590 /nfs/dbraw/zinc/92/85/90/947928590.db2.gz OCJZCTJGSGQNBF-UIOOFZCWSA-N 2 2 408.586 4.114 20 0 HIADLP COC(=O)c1cc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cn1C ZINC000572763562 948004220 /nfs/dbraw/zinc/00/42/20/948004220.db2.gz PIUPCXLLXINDBO-UHFFFAOYSA-N 2 2 414.509 4.013 20 0 HIADLP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000572860110 948023036 /nfs/dbraw/zinc/02/30/36/948023036.db2.gz IGWSWHCPRMSQPP-ZRBLBEILSA-N 2 2 400.950 4.051 20 0 HIADLP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000572860110 948023044 /nfs/dbraw/zinc/02/30/44/948023044.db2.gz IGWSWHCPRMSQPP-ZRBLBEILSA-N 2 2 400.950 4.051 20 0 HIADLP Cc1cccn2cc(Cc3noc([C@@]45CCC[C@@H]4C[N@H+](Cc4ccccc4)C5)n3)[nH+]c12 ZINC000573101002 948077742 /nfs/dbraw/zinc/07/77/42/948077742.db2.gz LYQGFGCJOGIPFT-CJFMBICVSA-N 2 2 413.525 4.170 20 0 HIADLP Cc1cccn2cc(Cc3noc([C@@]45CCC[C@@H]4C[N@@H+](Cc4ccccc4)C5)n3)[nH+]c12 ZINC000573101002 948077756 /nfs/dbraw/zinc/07/77/56/948077756.db2.gz LYQGFGCJOGIPFT-CJFMBICVSA-N 2 2 413.525 4.170 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc2c(C)cc(Br)cn12 ZINC000573330116 948155864 /nfs/dbraw/zinc/15/58/64/948155864.db2.gz GDSDUNKUHJJYIT-UHFFFAOYSA-N 2 2 404.356 4.076 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc2c(C)cc(Br)cn12 ZINC000573330116 948155866 /nfs/dbraw/zinc/15/58/66/948155866.db2.gz GDSDUNKUHJJYIT-UHFFFAOYSA-N 2 2 404.356 4.076 20 0 HIADLP O=C(CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(Br)c1 ZINC000574434643 948439400 /nfs/dbraw/zinc/43/94/00/948439400.db2.gz XNPSKETXSYBPDN-FQEVSTJZSA-N 2 2 416.363 4.204 20 0 HIADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000574961166 948566393 /nfs/dbraw/zinc/56/63/93/948566393.db2.gz IKTWUYHQBNMVFS-UHFFFAOYSA-N 2 2 415.335 4.142 20 0 HIADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000574961166 948566401 /nfs/dbraw/zinc/56/64/01/948566401.db2.gz IKTWUYHQBNMVFS-UHFFFAOYSA-N 2 2 415.335 4.142 20 0 HIADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)c4ccc(C)c(C)c4[nH+]3)CC2)CC1 ZINC001164618607 719032566 /nfs/dbraw/zinc/03/25/66/719032566.db2.gz VOJRPDAQSILPHR-UHFFFAOYSA-N 2 2 409.574 4.404 20 0 HIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4ccc(C)cc43)C2)C1 ZINC001164779802 721349516 /nfs/dbraw/zinc/34/95/16/721349516.db2.gz WUBILIYBVXSQGJ-VWLOTQADSA-N 2 2 420.557 4.267 20 0 HIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4ccc(C)cc43)C2)C1 ZINC001164779802 721349518 /nfs/dbraw/zinc/34/95/18/721349518.db2.gz WUBILIYBVXSQGJ-VWLOTQADSA-N 2 2 420.557 4.267 20 0 HIADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3c(C)cccc31)CC2 ZINC001164787587 721459924 /nfs/dbraw/zinc/45/99/24/721459924.db2.gz ROJNDOMARSRCMS-JOCHJYFZSA-N 2 2 423.601 4.277 20 0 HIADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc3c(C)cccc31)CC2 ZINC001164787587 721459928 /nfs/dbraw/zinc/45/99/28/721459928.db2.gz ROJNDOMARSRCMS-JOCHJYFZSA-N 2 2 423.601 4.277 20 0 HIADLP Cc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc(C(C)C)[nH+]1 ZINC001164907451 721585744 /nfs/dbraw/zinc/58/57/44/721585744.db2.gz SZNJXAUPJLNXFB-NRFANRHFSA-N 2 2 401.505 4.041 20 0 HIADLP Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(C(C)C)[nH+]1 ZINC001164907451 721585747 /nfs/dbraw/zinc/58/57/47/721585747.db2.gz SZNJXAUPJLNXFB-NRFANRHFSA-N 2 2 401.505 4.041 20 0 HIADLP Clc1ccc(-n2c(C[NH+]3CCCC3)nnc2SCCC[NH+]2CCCC2)cc1 ZINC000436135927 861426387 /nfs/dbraw/zinc/42/63/87/861426387.db2.gz QFUGYHCMPVGMJK-UHFFFAOYSA-N 2 2 405.999 4.095 20 0 HIADLP CC1CC[NH+]([C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)c2cccs2)CC1 ZINC000044867795 848611054 /nfs/dbraw/zinc/61/10/54/848611054.db2.gz QZXJPNHHHYGGBF-OAQYLSRUSA-N 2 2 408.571 4.196 20 0 HIADLP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047295549 849021964 /nfs/dbraw/zinc/02/19/64/849021964.db2.gz GGCKAUVSHOZAFR-QFIPXVFZSA-N 2 2 408.933 4.152 20 0 HIADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254420 851517642 /nfs/dbraw/zinc/51/76/42/851517642.db2.gz SJRRTTFTLLCNLV-ZDUSSCGKSA-N 2 2 411.859 4.475 20 0 HIADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000065304207 852102745 /nfs/dbraw/zinc/10/27/45/852102745.db2.gz WSADWMXQQYPXNO-ROUUACIJSA-N 2 2 424.589 4.184 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000066007474 852353684 /nfs/dbraw/zinc/35/36/84/852353684.db2.gz LWOJTWPCCRVEGR-UHFFFAOYSA-N 2 2 412.603 4.134 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000066007474 852353698 /nfs/dbraw/zinc/35/36/98/852353698.db2.gz LWOJTWPCCRVEGR-UHFFFAOYSA-N 2 2 412.603 4.134 20 0 HIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000071961459 852448467 /nfs/dbraw/zinc/44/84/67/852448467.db2.gz NLBGQNXYFTVXTQ-SFTDATJTSA-N 2 2 416.569 4.339 20 0 HIADLP CCCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000116590665 853318015 /nfs/dbraw/zinc/31/80/15/853318015.db2.gz PLKGNFCEVLCDQG-RUZDIDTESA-N 2 2 416.569 4.448 20 0 HIADLP CCCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000116590665 853318021 /nfs/dbraw/zinc/31/80/21/853318021.db2.gz PLKGNFCEVLCDQG-RUZDIDTESA-N 2 2 416.569 4.448 20 0 HIADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000236600939 853901468 /nfs/dbraw/zinc/90/14/68/853901468.db2.gz RWXNYNAMHISTEY-UHFFFAOYSA-N 2 2 418.379 4.386 20 0 HIADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236649383 853906963 /nfs/dbraw/zinc/90/69/63/853906963.db2.gz UBWVBNPZCQNLIM-LJQANCHMSA-N 2 2 421.566 4.193 20 0 HIADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236649383 853906969 /nfs/dbraw/zinc/90/69/69/853906969.db2.gz UBWVBNPZCQNLIM-LJQANCHMSA-N 2 2 421.566 4.193 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000236851947 853929178 /nfs/dbraw/zinc/92/91/78/853929178.db2.gz BXGCXJWXLKSAOC-GOSISDBHSA-N 2 2 408.521 4.473 20 0 HIADLP CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236924863 853938514 /nfs/dbraw/zinc/93/85/14/853938514.db2.gz WMIJVVSMZLFGAI-XMMPIXPASA-N 2 2 417.557 4.370 20 0 HIADLP CC(=O)N(c1nc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cs1)c1ccc(F)cc1 ZINC000237068737 853960082 /nfs/dbraw/zinc/96/00/82/853960082.db2.gz VWRPSUSJKVFKNX-UHFFFAOYSA-N 2 2 412.534 4.318 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000301118473 854301746 /nfs/dbraw/zinc/30/17/46/854301746.db2.gz PMSKKQXWCWYLTN-MOPGFXCFSA-N 2 2 407.587 4.459 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000301118473 854301760 /nfs/dbraw/zinc/30/17/60/854301760.db2.gz PMSKKQXWCWYLTN-MOPGFXCFSA-N 2 2 407.587 4.459 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2ccc(Oc3ccccc3)cc2)([NH+]2CCCCC2)CC1 ZINC000303947838 855311341 /nfs/dbraw/zinc/31/13/41/855311341.db2.gz HHFBWCNXTLOSPG-UHFFFAOYSA-N 2 2 407.558 4.159 20 0 HIADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Br)cs1 ZINC000390846812 855457445 /nfs/dbraw/zinc/45/74/45/855457445.db2.gz FRLRWUIAYKWQHE-MAUKXSAKSA-N 2 2 409.393 4.452 20 0 HIADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Br)cs1 ZINC000390846812 855457448 /nfs/dbraw/zinc/45/74/48/855457448.db2.gz FRLRWUIAYKWQHE-MAUKXSAKSA-N 2 2 409.393 4.452 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000398003121 855473840 /nfs/dbraw/zinc/47/38/40/855473840.db2.gz XQDUREVMXVSEHN-BEFAXECRSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000398003121 855473841 /nfs/dbraw/zinc/47/38/41/855473841.db2.gz XQDUREVMXVSEHN-BEFAXECRSA-N 2 2 406.357 4.432 20 0 HIADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410293894 855910421 /nfs/dbraw/zinc/91/04/21/855910421.db2.gz WWASRHVZCOMIRP-JOCHJYFZSA-N 2 2 408.590 4.471 20 0 HIADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410293894 855910425 /nfs/dbraw/zinc/91/04/25/855910425.db2.gz WWASRHVZCOMIRP-JOCHJYFZSA-N 2 2 408.590 4.471 20 0 HIADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410293896 855910693 /nfs/dbraw/zinc/91/06/93/855910693.db2.gz WWASRHVZCOMIRP-QFIPXVFZSA-N 2 2 408.590 4.471 20 0 HIADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000410293896 855910702 /nfs/dbraw/zinc/91/07/02/855910702.db2.gz WWASRHVZCOMIRP-QFIPXVFZSA-N 2 2 408.590 4.471 20 0 HIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ncc(Br)cc1F ZINC000427716803 856921081 /nfs/dbraw/zinc/92/10/81/856921081.db2.gz BKSMNKRVHCAPFN-RDJZCZTQSA-N 2 2 406.343 4.198 20 0 HIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ncc(Br)cc1F ZINC000427716803 856921086 /nfs/dbraw/zinc/92/10/86/856921086.db2.gz BKSMNKRVHCAPFN-RDJZCZTQSA-N 2 2 406.343 4.198 20 0 HIADLP CSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000428970703 857440158 /nfs/dbraw/zinc/44/01/58/857440158.db2.gz UVNJPOZEOHQIOU-MRXNPFEDSA-N 2 2 418.632 4.386 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000429244816 857571299 /nfs/dbraw/zinc/57/12/99/857571299.db2.gz HWFYKCJFAXGZOX-UHFFFAOYSA-N 2 2 416.875 4.468 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000429244816 857571306 /nfs/dbraw/zinc/57/13/06/857571306.db2.gz HWFYKCJFAXGZOX-UHFFFAOYSA-N 2 2 416.875 4.468 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000429263269 857581704 /nfs/dbraw/zinc/58/17/04/857581704.db2.gz XSHJFJUGJKHYSG-VWLOTQADSA-N 2 2 402.391 4.272 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000429263269 857581710 /nfs/dbraw/zinc/58/17/10/857581710.db2.gz XSHJFJUGJKHYSG-VWLOTQADSA-N 2 2 402.391 4.272 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000429799729 857889736 /nfs/dbraw/zinc/88/97/36/857889736.db2.gz GJHBGOWMAPQCJK-XPGWFJOJSA-N 2 2 412.405 4.319 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000429799729 857889738 /nfs/dbraw/zinc/88/97/38/857889738.db2.gz GJHBGOWMAPQCJK-XPGWFJOJSA-N 2 2 412.405 4.319 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000429799729 857889740 /nfs/dbraw/zinc/88/97/40/857889740.db2.gz GJHBGOWMAPQCJK-XPGWFJOJSA-N 2 2 412.405 4.319 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000429799729 857889743 /nfs/dbraw/zinc/88/97/43/857889743.db2.gz GJHBGOWMAPQCJK-XPGWFJOJSA-N 2 2 412.405 4.319 20 0 HIADLP C[N@H+](CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)Cc1ccccc1 ZINC000430098867 858031816 /nfs/dbraw/zinc/03/18/16/858031816.db2.gz XBOUOEHWSGCROD-UHFFFAOYSA-N 2 2 407.587 4.087 20 0 HIADLP C[N@@H+](CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)Cc1ccccc1 ZINC000430098867 858031820 /nfs/dbraw/zinc/03/18/20/858031820.db2.gz XBOUOEHWSGCROD-UHFFFAOYSA-N 2 2 407.587 4.087 20 0 HIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000430122496 858041064 /nfs/dbraw/zinc/04/10/64/858041064.db2.gz IBQKRMUWOKFVMV-UAOJZALGSA-N 2 2 413.375 4.254 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cn2c1 ZINC000430675427 858264555 /nfs/dbraw/zinc/26/45/55/858264555.db2.gz MLRJYFNMNDMORJ-PZJWPPBQSA-N 2 2 422.598 4.045 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cn2c1 ZINC000430675427 858264562 /nfs/dbraw/zinc/26/45/62/858264562.db2.gz MLRJYFNMNDMORJ-PZJWPPBQSA-N 2 2 422.598 4.045 20 0 HIADLP CC[N@@H+](Cc1ccnn1-c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000430764138 858295009 /nfs/dbraw/zinc/29/50/09/858295009.db2.gz RPORVUSKOHSWDL-UHFFFAOYSA-N 2 2 405.546 4.014 20 0 HIADLP CC[N@H+](Cc1ccnn1-c1ccccc1OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000430764138 858295013 /nfs/dbraw/zinc/29/50/13/858295013.db2.gz RPORVUSKOHSWDL-UHFFFAOYSA-N 2 2 405.546 4.014 20 0 HIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000431215997 858509134 /nfs/dbraw/zinc/50/91/34/858509134.db2.gz KKINMTYOKUWCGH-UNWVZKJWSA-N 2 2 416.610 4.102 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000433174388 859553895 /nfs/dbraw/zinc/55/38/95/859553895.db2.gz IZZBLSMOCHQYLW-HXUWFJFHSA-N 2 2 421.585 4.393 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000433174388 859553905 /nfs/dbraw/zinc/55/39/05/859553905.db2.gz IZZBLSMOCHQYLW-HXUWFJFHSA-N 2 2 421.585 4.393 20 0 HIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433406498 859681479 /nfs/dbraw/zinc/68/14/79/859681479.db2.gz PNIBYEYMHBIAIS-YLJYHZDGSA-N 2 2 401.526 4.200 20 0 HIADLP CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000434396419 860332825 /nfs/dbraw/zinc/33/28/25/860332825.db2.gz BPEUYCZUUQSUGX-JOCHJYFZSA-N 2 2 418.601 4.115 20 0 HIADLP Cc1cc(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)n1Cc1ccco1 ZINC000434672778 860453710 /nfs/dbraw/zinc/45/37/10/860453710.db2.gz ANXDHKWKZGYGBI-UHFFFAOYSA-N 2 2 420.557 4.341 20 0 HIADLP Fc1cc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)cc(F)c1F ZINC000434686655 860460880 /nfs/dbraw/zinc/46/08/80/860460880.db2.gz APYRUTXOLCIPIL-UHFFFAOYSA-N 2 2 417.435 4.066 20 0 HIADLP Cc1cc(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)n1CC(F)(F)F ZINC000434691839 860464439 /nfs/dbraw/zinc/46/44/39/860464439.db2.gz UVWKDAWGLKOBGH-UHFFFAOYSA-N 2 2 422.495 4.262 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434692423 860464842 /nfs/dbraw/zinc/46/48/42/860464842.db2.gz XSRQEPTYXNKWFR-OAHLLOKOSA-N 2 2 418.488 4.027 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000440787635 865912834 /nfs/dbraw/zinc/91/28/34/865912834.db2.gz WMLIGHWQTFSXFG-CYFREDJKSA-N 2 2 400.526 4.230 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000440787635 865912860 /nfs/dbraw/zinc/91/28/60/865912860.db2.gz WMLIGHWQTFSXFG-CYFREDJKSA-N 2 2 400.526 4.230 20 0 HIADLP Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000441322607 866392301 /nfs/dbraw/zinc/39/23/01/866392301.db2.gz KBTDJLBTMHTIMH-RPBOFIJWSA-N 2 2 421.585 4.034 20 0 HIADLP Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000441322607 866392317 /nfs/dbraw/zinc/39/23/17/866392317.db2.gz KBTDJLBTMHTIMH-RPBOFIJWSA-N 2 2 421.585 4.034 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N(C)Cc2ccccc2C)c(C)c1 ZINC000441385277 866458056 /nfs/dbraw/zinc/45/80/56/866458056.db2.gz NHYIMFRIFKRLJQ-ZJSXRUAMSA-N 2 2 404.558 4.186 20 0 HIADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441387665 866459326 /nfs/dbraw/zinc/45/93/26/866459326.db2.gz QORJAKOPZWSDBM-SXWKCWPCSA-N 2 2 420.557 4.105 20 0 HIADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441911324 866977652 /nfs/dbraw/zinc/97/76/52/866977652.db2.gz QLMMJFLCJFEMNI-LJQANCHMSA-N 2 2 403.368 4.212 20 0 HIADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441911324 866977668 /nfs/dbraw/zinc/97/76/68/866977668.db2.gz QLMMJFLCJFEMNI-LJQANCHMSA-N 2 2 403.368 4.212 20 0 HIADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441911324 866977678 /nfs/dbraw/zinc/97/76/78/866977678.db2.gz QLMMJFLCJFEMNI-LJQANCHMSA-N 2 2 403.368 4.212 20 0 HIADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441911324 866977690 /nfs/dbraw/zinc/97/76/90/866977690.db2.gz QLMMJFLCJFEMNI-LJQANCHMSA-N 2 2 403.368 4.212 20 0 HIADLP C[N@@H+]1CCN(CC[NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1(C)C ZINC000442874814 867709986 /nfs/dbraw/zinc/70/99/86/867709986.db2.gz NYOUOMHUWCBPOY-OAQYLSRUSA-N 2 2 407.936 4.323 20 0 HIADLP C[N@H+]1CCN(CC[NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1(C)C ZINC000442874814 867709996 /nfs/dbraw/zinc/70/99/96/867709996.db2.gz NYOUOMHUWCBPOY-OAQYLSRUSA-N 2 2 407.936 4.323 20 0 HIADLP Cc1ccc(Oc2ccccc2)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000444848195 869051749 /nfs/dbraw/zinc/05/17/49/869051749.db2.gz KYBZBUFTQWUVMF-UHFFFAOYSA-N 2 2 422.573 4.467 20 0 HIADLP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000468397389 882340051 /nfs/dbraw/zinc/34/00/51/882340051.db2.gz LTAPUIRLGOEIEK-UHFFFAOYSA-N 2 2 419.573 4.082 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2C)cc1 ZINC000468395860 882339397 /nfs/dbraw/zinc/33/93/97/882339397.db2.gz RYKOJKNIAJZFHV-PXDATVDWSA-N 2 2 408.590 4.006 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2C)cc1 ZINC000468395860 882339411 /nfs/dbraw/zinc/33/94/11/882339411.db2.gz RYKOJKNIAJZFHV-PXDATVDWSA-N 2 2 408.590 4.006 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2C)cc1 ZINC000468395860 882339425 /nfs/dbraw/zinc/33/94/25/882339425.db2.gz RYKOJKNIAJZFHV-PXDATVDWSA-N 2 2 408.590 4.006 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2C)cc1 ZINC000468395860 882339438 /nfs/dbraw/zinc/33/94/38/882339438.db2.gz RYKOJKNIAJZFHV-PXDATVDWSA-N 2 2 408.590 4.006 20 0 HIADLP CN(C(=O)N[C@H]1CCCc2sccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000468471942 882427541 /nfs/dbraw/zinc/42/75/41/882427541.db2.gz WMNQERXATQFSBK-PWRODBHTSA-N 2 2 418.651 4.104 20 0 HIADLP CN(C(=O)N[C@H]1CCCc2sccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468471942 882427551 /nfs/dbraw/zinc/42/75/51/882427551.db2.gz WMNQERXATQFSBK-PWRODBHTSA-N 2 2 418.651 4.104 20 0 HIADLP CC1(C)C[NH+](CC(O)C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC[C@H]1C(F)(F)F ZINC000447325788 871218565 /nfs/dbraw/zinc/21/85/65/871218565.db2.gz RJCZBRJNCUTMNQ-HUUCEWRRSA-N 2 2 418.466 4.168 20 0 HIADLP CC1(C)C[NH+](CC(O)C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC[C@H]1C(F)(F)F ZINC000447325788 871218587 /nfs/dbraw/zinc/21/85/87/871218587.db2.gz RJCZBRJNCUTMNQ-HUUCEWRRSA-N 2 2 418.466 4.168 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2cccc(OC3CCCCC3)c2)([NH+]2CCCCC2)CC1 ZINC000460482707 873169347 /nfs/dbraw/zinc/16/93/47/873169347.db2.gz IACWJEFBNYZVKR-UHFFFAOYSA-N 2 2 413.606 4.078 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000460484535 873171064 /nfs/dbraw/zinc/17/10/64/873171064.db2.gz GDQJYNBGHBYBPR-BJKOFHAPSA-N 2 2 405.586 4.010 20 0 HIADLP COc1cccc(Cn2c3ccccc3[nH+]c2NCc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000460664768 873409067 /nfs/dbraw/zinc/40/90/67/873409067.db2.gz SQLIVHWSBGBHQQ-UHFFFAOYSA-N 2 2 424.508 4.594 20 0 HIADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(Cl)c1F ZINC000461104516 874023033 /nfs/dbraw/zinc/02/30/33/874023033.db2.gz XJMQZRUTKGKAQX-FQEVSTJZSA-N 2 2 406.929 4.431 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000461310365 874317413 /nfs/dbraw/zinc/31/74/13/874317413.db2.gz XNPMOMVKPWNNAZ-UHFFFAOYSA-N 2 2 421.010 4.077 20 0 HIADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000462530929 875649752 /nfs/dbraw/zinc/64/97/52/875649752.db2.gz KXUINANRYJSVNB-QGZVFWFLSA-N 2 2 423.964 4.006 20 0 HIADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000462530929 875649759 /nfs/dbraw/zinc/64/97/59/875649759.db2.gz KXUINANRYJSVNB-QGZVFWFLSA-N 2 2 423.964 4.006 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000462785955 875839777 /nfs/dbraw/zinc/83/97/77/875839777.db2.gz UANJINSTSSFHOB-JOCHJYFZSA-N 2 2 415.965 4.026 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1csc(-c2ccccc2F)n1 ZINC000462800882 875849988 /nfs/dbraw/zinc/84/99/88/875849988.db2.gz GMMWRWGVIJETLN-QFBILLFUSA-N 2 2 411.546 4.367 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1csc(-c2ccccc2F)n1 ZINC000462800882 875849989 /nfs/dbraw/zinc/84/99/89/875849989.db2.gz GMMWRWGVIJETLN-QFBILLFUSA-N 2 2 411.546 4.367 20 0 HIADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2csc(-c3ccccc3F)n2)nc[nH+]1 ZINC000462817194 875859086 /nfs/dbraw/zinc/85/90/86/875859086.db2.gz NBICUBOAFPLIGE-GJZGRUSLSA-N 2 2 412.538 4.101 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]Cc2cn3cc(Br)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000463074040 876106033 /nfs/dbraw/zinc/10/60/33/876106033.db2.gz NVFMCZAVLFSPGV-VQIMIIECSA-N 2 2 413.363 4.240 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]Cc2cn3cc(Br)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000463074040 876106039 /nfs/dbraw/zinc/10/60/39/876106039.db2.gz NVFMCZAVLFSPGV-VQIMIIECSA-N 2 2 413.363 4.240 20 0 HIADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc4ccc(Br)cc4o3)C2)[nH+]1 ZINC000463090332 876122888 /nfs/dbraw/zinc/12/28/88/876122888.db2.gz GKQXKLQNAHJRJO-CQSZACIVSA-N 2 2 401.308 4.228 20 0 HIADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc4ccc(Br)cc4o3)C2)[nH+]1 ZINC000463090332 876122898 /nfs/dbraw/zinc/12/28/98/876122898.db2.gz GKQXKLQNAHJRJO-CQSZACIVSA-N 2 2 401.308 4.228 20 0 HIADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(N4CCCCCC4)nc3)CC2)cc1 ZINC000463130269 876175993 /nfs/dbraw/zinc/17/59/93/876175993.db2.gz GHZKWAFBMZHBFI-UHFFFAOYSA-N 2 2 410.581 4.398 20 0 HIADLP Brc1ccc2nc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)oc2c1 ZINC000463153935 876206454 /nfs/dbraw/zinc/20/64/54/876206454.db2.gz XNJSLXJJMAZUIE-UHFFFAOYSA-N 2 2 403.324 4.479 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463238025 876293351 /nfs/dbraw/zinc/29/33/51/876293351.db2.gz NDLQFDPXDBPBDG-JTVPTGRASA-N 2 2 409.540 4.434 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463238025 876293364 /nfs/dbraw/zinc/29/33/64/876293364.db2.gz NDLQFDPXDBPBDG-JTVPTGRASA-N 2 2 409.540 4.434 20 0 HIADLP COc1cccc([C@@H]2[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CCN2C2CC2)c1 ZINC000463280357 876337424 /nfs/dbraw/zinc/33/74/24/876337424.db2.gz LNIYIHUFYOPNFH-KAYWLYCHSA-N 2 2 419.613 4.270 20 0 HIADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000463287794 876346175 /nfs/dbraw/zinc/34/61/75/876346175.db2.gz YAYKJSSUJALMBL-UHFFFAOYSA-N 2 2 404.274 4.437 20 0 HIADLP C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)C2)CC1 ZINC000463705956 876825362 /nfs/dbraw/zinc/82/53/62/876825362.db2.gz RBXKPEXPPFPBCE-FQEVSTJZSA-N 2 2 407.562 4.082 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000463817940 876932797 /nfs/dbraw/zinc/93/27/97/876932797.db2.gz NFNDJIPJUXWTLT-UHFFFAOYSA-N 2 2 411.590 4.342 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000463817940 876932807 /nfs/dbraw/zinc/93/28/07/876932807.db2.gz NFNDJIPJUXWTLT-UHFFFAOYSA-N 2 2 411.590 4.342 20 0 HIADLP CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803764 878045562 /nfs/dbraw/zinc/04/55/62/878045562.db2.gz ACGFCOLDMOPGNO-NRFANRHFSA-N 2 2 408.590 4.114 20 0 HIADLP CC[N@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803764 878045585 /nfs/dbraw/zinc/04/55/85/878045585.db2.gz ACGFCOLDMOPGNO-NRFANRHFSA-N 2 2 408.590 4.114 20 0 HIADLP CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804454 878047527 /nfs/dbraw/zinc/04/75/27/878047527.db2.gz GJMIQFUIUPJNFA-SFHVURJKSA-N 2 2 414.981 4.151 20 0 HIADLP CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804454 878047550 /nfs/dbraw/zinc/04/75/50/878047550.db2.gz GJMIQFUIUPJNFA-SFHVURJKSA-N 2 2 414.981 4.151 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464848701 878124897 /nfs/dbraw/zinc/12/48/97/878124897.db2.gz XHGZUSRBRPMRQB-PZJWPPBQSA-N 2 2 413.993 4.313 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464848701 878124911 /nfs/dbraw/zinc/12/49/11/878124911.db2.gz XHGZUSRBRPMRQB-PZJWPPBQSA-N 2 2 413.993 4.313 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464848701 878124925 /nfs/dbraw/zinc/12/49/25/878124925.db2.gz XHGZUSRBRPMRQB-PZJWPPBQSA-N 2 2 413.993 4.313 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464848701 878124932 /nfs/dbraw/zinc/12/49/32/878124932.db2.gz XHGZUSRBRPMRQB-PZJWPPBQSA-N 2 2 413.993 4.313 20 0 HIADLP O=C(NCc1ccco1)c1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503369299 912346629 /nfs/dbraw/zinc/34/66/29/912346629.db2.gz BVVXLEYDZNGIHL-OAQYLSRUSA-N 2 2 418.541 4.122 20 0 HIADLP O=C(NCc1ccco1)c1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503369299 912346649 /nfs/dbraw/zinc/34/66/49/912346649.db2.gz BVVXLEYDZNGIHL-OAQYLSRUSA-N 2 2 418.541 4.122 20 0 HIADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503373508 912355289 /nfs/dbraw/zinc/35/52/89/912355289.db2.gz HWMNOBVKMINTNU-ZVDOUQERSA-N 2 2 406.574 4.155 20 0 HIADLP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503373508 912355307 /nfs/dbraw/zinc/35/53/07/912355307.db2.gz HWMNOBVKMINTNU-ZVDOUQERSA-N 2 2 406.574 4.155 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381636 912366061 /nfs/dbraw/zinc/36/60/61/912366061.db2.gz DFCBBJBJPZRFRJ-QFIPXVFZSA-N 2 2 408.590 4.146 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381636 912366083 /nfs/dbraw/zinc/36/60/83/912366083.db2.gz DFCBBJBJPZRFRJ-QFIPXVFZSA-N 2 2 408.590 4.146 20 0 HIADLP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000503412473 912396003 /nfs/dbraw/zinc/39/60/03/912396003.db2.gz VCFQDAZYYOUGBJ-MRXNPFEDSA-N 2 2 416.953 4.090 20 0 HIADLP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000503412473 912396026 /nfs/dbraw/zinc/39/60/26/912396026.db2.gz VCFQDAZYYOUGBJ-MRXNPFEDSA-N 2 2 416.953 4.090 20 0 HIADLP C[NH+]1CCC(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)([NH+]2CCCCC2)CC1 ZINC000465469322 878904763 /nfs/dbraw/zinc/90/47/63/878904763.db2.gz DPZVXLXKLCGWGI-OAQYLSRUSA-N 2 2 419.013 4.041 20 0 HIADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503416600 912402341 /nfs/dbraw/zinc/40/23/41/912402341.db2.gz RKTWALIPNSWAMA-MAUKXSAKSA-N 2 2 424.372 4.146 20 0 HIADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503416600 912402363 /nfs/dbraw/zinc/40/23/63/912402363.db2.gz RKTWALIPNSWAMA-MAUKXSAKSA-N 2 2 424.372 4.146 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503427564 912421760 /nfs/dbraw/zinc/42/17/60/912421760.db2.gz DFWPAJVVIIDBLP-YQVWRLOYSA-N 2 2 414.981 4.318 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503427564 912421768 /nfs/dbraw/zinc/42/17/68/912421768.db2.gz DFWPAJVVIIDBLP-YQVWRLOYSA-N 2 2 414.981 4.318 20 0 HIADLP CCN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@H](C)c1ccc(F)cc1 ZINC000503430284 912428763 /nfs/dbraw/zinc/42/87/63/912428763.db2.gz KMGUMNLTJBTDRU-UYAOXDASSA-N 2 2 412.553 4.148 20 0 HIADLP CCN(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@H](C)c1ccc(F)cc1 ZINC000503430284 912428778 /nfs/dbraw/zinc/42/87/78/912428778.db2.gz KMGUMNLTJBTDRU-UYAOXDASSA-N 2 2 412.553 4.148 20 0 HIADLP CCCOc1c(Br)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000512370343 921111666 /nfs/dbraw/zinc/11/16/66/921111666.db2.gz PJPPCBZUSLZXOM-UHFFFAOYSA-N 2 2 408.340 4.349 20 0 HIADLP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000465932594 879597040 /nfs/dbraw/zinc/59/70/40/879597040.db2.gz NJZVYTPKHPSXHN-MRXNPFEDSA-N 2 2 413.031 4.102 20 0 HIADLP CC(C)CCOc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466142958 879852339 /nfs/dbraw/zinc/85/23/39/879852339.db2.gz IHWLDDRYBHJEEN-UHFFFAOYSA-N 2 2 416.610 4.183 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)([NH+]2CCCCC2)CC1 ZINC000466149705 879857418 /nfs/dbraw/zinc/85/74/18/879857418.db2.gz UVKRCTGGORYQES-UHFFFAOYSA-N 2 2 418.585 4.330 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000503565605 912643468 /nfs/dbraw/zinc/64/34/68/912643468.db2.gz RCDNWQYVAIPDMZ-LJQANCHMSA-N 2 2 424.536 4.041 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000503565605 912643500 /nfs/dbraw/zinc/64/35/00/912643500.db2.gz RCDNWQYVAIPDMZ-LJQANCHMSA-N 2 2 424.536 4.041 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000503565604 912645002 /nfs/dbraw/zinc/64/50/02/912645002.db2.gz RCDNWQYVAIPDMZ-IBGZPJMESA-N 2 2 424.536 4.041 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000503565604 912645019 /nfs/dbraw/zinc/64/50/19/912645019.db2.gz RCDNWQYVAIPDMZ-IBGZPJMESA-N 2 2 424.536 4.041 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587507 883825271 /nfs/dbraw/zinc/82/52/71/883825271.db2.gz UJDBJZZGJAQWIR-MSYCTHLASA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587507 883825272 /nfs/dbraw/zinc/82/52/72/883825272.db2.gz UJDBJZZGJAQWIR-MSYCTHLASA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587507 883825273 /nfs/dbraw/zinc/82/52/73/883825273.db2.gz UJDBJZZGJAQWIR-MSYCTHLASA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587507 883825274 /nfs/dbraw/zinc/82/52/74/883825274.db2.gz UJDBJZZGJAQWIR-MSYCTHLASA-N 2 2 419.560 4.042 20 0 HIADLP C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000469726813 883887720 /nfs/dbraw/zinc/88/77/20/883887720.db2.gz CJJQSIPYGXVJFA-HXUWFJFHSA-N 2 2 408.594 4.227 20 0 HIADLP C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000469726813 883887721 /nfs/dbraw/zinc/88/77/21/883887721.db2.gz CJJQSIPYGXVJFA-HXUWFJFHSA-N 2 2 408.594 4.227 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469865266 884053584 /nfs/dbraw/zinc/05/35/84/884053584.db2.gz VDVQKKQGWCTGEP-ZRCGQRJVSA-N 2 2 409.578 4.050 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469865266 884053602 /nfs/dbraw/zinc/05/36/02/884053602.db2.gz VDVQKKQGWCTGEP-ZRCGQRJVSA-N 2 2 409.578 4.050 20 0 HIADLP Cc1cc(C)n(-c2ccc(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cc2)n1 ZINC000471172767 885731759 /nfs/dbraw/zinc/73/17/59/885731759.db2.gz MPKIGNTZWRISTC-UHFFFAOYSA-N 2 2 403.574 4.023 20 0 HIADLP Cc1cc(C)n(-c2ccc(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cc2)n1 ZINC000471172767 885731775 /nfs/dbraw/zinc/73/17/75/885731775.db2.gz MPKIGNTZWRISTC-UHFFFAOYSA-N 2 2 403.574 4.023 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471175402 885736807 /nfs/dbraw/zinc/73/68/07/885736807.db2.gz DMMADFBURSKFHB-SIKLNZKXSA-N 2 2 404.514 4.368 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471175402 885736815 /nfs/dbraw/zinc/73/68/15/885736815.db2.gz DMMADFBURSKFHB-SIKLNZKXSA-N 2 2 404.514 4.368 20 0 HIADLP Cc1[nH]nc2ncc(C[NH2+]Cc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)cc12 ZINC000504164602 913054556 /nfs/dbraw/zinc/05/45/56/913054556.db2.gz YFVVPESADZTFCL-UHFFFAOYSA-N 2 2 408.509 4.468 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C(F)(F)F)o1 ZINC000472002255 886827165 /nfs/dbraw/zinc/82/71/65/886827165.db2.gz LGQAADLCXYKWQP-MSOLQXFVSA-N 2 2 415.500 4.016 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C(F)(F)F)o1 ZINC000472002255 886827166 /nfs/dbraw/zinc/82/71/66/886827166.db2.gz LGQAADLCXYKWQP-MSOLQXFVSA-N 2 2 415.500 4.016 20 0 HIADLP Cc1cc2occ(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2cc1C ZINC000472002083 886827330 /nfs/dbraw/zinc/82/73/30/886827330.db2.gz KONQWAZNOMPWPE-GOTSBHOMSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1cc2occ(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2cc1C ZINC000472002083 886827335 /nfs/dbraw/zinc/82/73/35/886827335.db2.gz KONQWAZNOMPWPE-GOTSBHOMSA-N 2 2 411.590 4.459 20 0 HIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465938 887326543 /nfs/dbraw/zinc/32/65/43/887326543.db2.gz UHNWEXOGTBEMIG-QPPBQGQZSA-N 2 2 411.634 4.311 20 0 HIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465938 887326558 /nfs/dbraw/zinc/32/65/58/887326558.db2.gz UHNWEXOGTBEMIG-QPPBQGQZSA-N 2 2 411.634 4.311 20 0 HIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465938 887326577 /nfs/dbraw/zinc/32/65/77/887326577.db2.gz UHNWEXOGTBEMIG-QPPBQGQZSA-N 2 2 411.634 4.311 20 0 HIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465938 887326590 /nfs/dbraw/zinc/32/65/90/887326590.db2.gz UHNWEXOGTBEMIG-QPPBQGQZSA-N 2 2 411.634 4.311 20 0 HIADLP CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000473050692 887872507 /nfs/dbraw/zinc/87/25/07/887872507.db2.gz PBTJEOQRKMMVDW-UHFFFAOYSA-N 2 2 424.980 4.269 20 0 HIADLP CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000473050692 887872508 /nfs/dbraw/zinc/87/25/08/887872508.db2.gz PBTJEOQRKMMVDW-UHFFFAOYSA-N 2 2 424.980 4.269 20 0 HIADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473873966 888736305 /nfs/dbraw/zinc/73/63/05/888736305.db2.gz HTQFHCUPTVFMJS-NFBKMPQASA-N 2 2 421.589 4.049 20 0 HIADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473873966 888736332 /nfs/dbraw/zinc/73/63/32/888736332.db2.gz HTQFHCUPTVFMJS-NFBKMPQASA-N 2 2 421.589 4.049 20 0 HIADLP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473945228 888821375 /nfs/dbraw/zinc/82/13/75/888821375.db2.gz OKAALGTWSHBQAN-OFNKIYASSA-N 2 2 417.557 4.239 20 0 HIADLP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473945228 888821377 /nfs/dbraw/zinc/82/13/77/888821377.db2.gz OKAALGTWSHBQAN-OFNKIYASSA-N 2 2 417.557 4.239 20 0 HIADLP COc1ccc2nc(C[NH2+]Cc3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)sc2c1 ZINC000474353207 889230553 /nfs/dbraw/zinc/23/05/53/889230553.db2.gz NMRFJRSKWIJUBR-IAGOWNOFSA-N 2 2 411.571 4.204 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C1CCC(C(F)(F)F)CC1 ZINC000474606878 889473863 /nfs/dbraw/zinc/47/38/63/889473863.db2.gz WTYPBXKIFXRSID-ZJRDLVKKSA-N 2 2 414.512 4.244 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[N@@H+]3CCC[C@H](C)C3)cc1)C2 ZINC000474905316 889764181 /nfs/dbraw/zinc/76/41/81/889764181.db2.gz KEEDYOPTDLAIRK-GHTZIAJQSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[N@H+]3CCC[C@H](C)C3)cc1)C2 ZINC000474905316 889764184 /nfs/dbraw/zinc/76/41/84/889764184.db2.gz KEEDYOPTDLAIRK-GHTZIAJQSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[N@@H+]3CCC[C@H](C)C3)cc1)CC2 ZINC000474905316 889764195 /nfs/dbraw/zinc/76/41/95/889764195.db2.gz KEEDYOPTDLAIRK-GHTZIAJQSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[N@H+]3CCC[C@H](C)C3)cc1)CC2 ZINC000474905316 889764201 /nfs/dbraw/zinc/76/42/01/889764201.db2.gz KEEDYOPTDLAIRK-GHTZIAJQSA-N 2 2 408.590 4.186 20 0 HIADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1C ZINC000475352599 890275214 /nfs/dbraw/zinc/27/52/14/890275214.db2.gz DPYXKWUOPWQBOE-MNNVXMFVSA-N 2 2 411.512 4.415 20 0 HIADLP COc1ccc(C[C@@H](C)C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1F ZINC000475358405 890283599 /nfs/dbraw/zinc/28/35/99/890283599.db2.gz NKBLVUHOLJSVMG-RWBZWWBESA-N 2 2 402.476 4.408 20 0 HIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000475561651 890490878 /nfs/dbraw/zinc/49/08/78/890490878.db2.gz LVSYWTHQBUGCCS-LZQZEXGQSA-N 2 2 400.485 4.251 20 0 HIADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475725256 890663556 /nfs/dbraw/zinc/66/35/56/890663556.db2.gz BPPVEQDDHFPGIY-CPJSRVTESA-N 2 2 423.626 4.009 20 0 HIADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475725256 890663561 /nfs/dbraw/zinc/66/35/61/890663561.db2.gz BPPVEQDDHFPGIY-CPJSRVTESA-N 2 2 423.626 4.009 20 0 HIADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475725256 890663564 /nfs/dbraw/zinc/66/35/64/890663564.db2.gz BPPVEQDDHFPGIY-CPJSRVTESA-N 2 2 423.626 4.009 20 0 HIADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475725256 890663568 /nfs/dbraw/zinc/66/35/68/890663568.db2.gz BPPVEQDDHFPGIY-CPJSRVTESA-N 2 2 423.626 4.009 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c3ccccc3)CCCC1)C2 ZINC000476040648 890972246 /nfs/dbraw/zinc/97/22/46/890972246.db2.gz JMHORQVWFABAFK-AZUAARDMSA-N 2 2 408.590 4.418 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1([NH2+][C@@H](C)c3ccccc3)CCCC1)CC2 ZINC000476040648 890972253 /nfs/dbraw/zinc/97/22/53/890972253.db2.gz JMHORQVWFABAFK-AZUAARDMSA-N 2 2 408.590 4.418 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1([NH2+][C@H](C)c3ccccc3)CCCC1)C2 ZINC000476040657 890972837 /nfs/dbraw/zinc/97/28/37/890972837.db2.gz JMHORQVWFABAFK-UYAOXDASSA-N 2 2 408.590 4.418 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1([NH2+][C@H](C)c3ccccc3)CCCC1)CC2 ZINC000476040657 890972851 /nfs/dbraw/zinc/97/28/51/890972851.db2.gz JMHORQVWFABAFK-UYAOXDASSA-N 2 2 408.590 4.418 20 0 HIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000477937773 893027672 /nfs/dbraw/zinc/02/76/72/893027672.db2.gz NDWCOTACWCIQOB-ATIYNZHBSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000477937773 893027694 /nfs/dbraw/zinc/02/76/94/893027694.db2.gz NDWCOTACWCIQOB-ATIYNZHBSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479523529 894833112 /nfs/dbraw/zinc/83/31/12/894833112.db2.gz QFTZMXPDGBGQGO-LAUBAEHRSA-N 2 2 407.480 4.065 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479523529 894833118 /nfs/dbraw/zinc/83/31/18/894833118.db2.gz QFTZMXPDGBGQGO-LAUBAEHRSA-N 2 2 407.480 4.065 20 0 HIADLP CN(C(=O)NCc1ccc(C2CC2)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000479592783 894875313 /nfs/dbraw/zinc/87/53/13/894875313.db2.gz NYPGQACSRNFYPJ-RPWUZVMVSA-N 2 2 412.622 4.043 20 0 HIADLP CN(C(=O)NCc1ccc(C2CC2)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000479592783 894875316 /nfs/dbraw/zinc/87/53/16/894875316.db2.gz NYPGQACSRNFYPJ-RPWUZVMVSA-N 2 2 412.622 4.043 20 0 HIADLP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cnn1-c1cc(C)ccc1C ZINC000479888989 895235413 /nfs/dbraw/zinc/23/54/13/895235413.db2.gz UXGLVZDCLPPOQV-NRFANRHFSA-N 2 2 418.585 4.481 20 0 HIADLP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cnn1-c1ccc(F)cc1 ZINC000479900779 895247714 /nfs/dbraw/zinc/24/77/14/895247714.db2.gz LBIFAYMVNBKKNB-SFHVURJKSA-N 2 2 408.521 4.003 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCSc4c(Cl)cccc43)cc2)CC1 ZINC000480603304 895967689 /nfs/dbraw/zinc/96/76/89/895967689.db2.gz CAKIVIVKNQCSSS-HXUWFJFHSA-N 2 2 415.990 4.054 20 0 HIADLP Clc1sc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1Br ZINC000480675786 896038837 /nfs/dbraw/zinc/03/88/37/896038837.db2.gz XYIIHAFWHGZAPY-UHFFFAOYSA-N 2 2 415.784 4.286 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccccc3OC(F)F)cc2)CC1 ZINC000480693313 896056345 /nfs/dbraw/zinc/05/63/45/896056345.db2.gz MHHLTLNSLKAHKQ-GOSISDBHSA-N 2 2 403.517 4.276 20 0 HIADLP C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000481037594 896363562 /nfs/dbraw/zinc/36/35/62/896363562.db2.gz KXDHSALOGCCQER-CVDCTZTESA-N 2 2 415.603 4.182 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481167871 896501676 /nfs/dbraw/zinc/50/16/76/896501676.db2.gz ANTCQYCCHDEBNI-HWBMXIPRSA-N 2 2 407.602 4.312 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481167871 896501693 /nfs/dbraw/zinc/50/16/93/896501693.db2.gz ANTCQYCCHDEBNI-HWBMXIPRSA-N 2 2 407.602 4.312 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481167872 896502420 /nfs/dbraw/zinc/50/24/20/896502420.db2.gz ANTCQYCCHDEBNI-OTNCWRBYSA-N 2 2 407.602 4.312 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481167872 896502439 /nfs/dbraw/zinc/50/24/39/896502439.db2.gz ANTCQYCCHDEBNI-OTNCWRBYSA-N 2 2 407.602 4.312 20 0 HIADLP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000481181388 896521378 /nfs/dbraw/zinc/52/13/78/896521378.db2.gz ZJWDSWRHGFXZJO-SDUSCBPUSA-N 2 2 422.617 4.117 20 0 HIADLP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000481181388 896521398 /nfs/dbraw/zinc/52/13/98/896521398.db2.gz ZJWDSWRHGFXZJO-SDUSCBPUSA-N 2 2 422.617 4.117 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cccc2ncccc21 ZINC000481185130 896529403 /nfs/dbraw/zinc/52/94/03/896529403.db2.gz DIWZUUXCLUBRBH-CNNODRBYSA-N 2 2 402.542 4.062 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cccc2ncccc21 ZINC000481185130 896529419 /nfs/dbraw/zinc/52/94/19/896529419.db2.gz DIWZUUXCLUBRBH-CNNODRBYSA-N 2 2 402.542 4.062 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000481186055 896532432 /nfs/dbraw/zinc/53/24/32/896532432.db2.gz HIKOASCPYRHZPL-SJBKTWHCSA-N 2 2 423.626 4.404 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000481186055 896532444 /nfs/dbraw/zinc/53/24/44/896532444.db2.gz HIKOASCPYRHZPL-SJBKTWHCSA-N 2 2 423.626 4.404 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ccsc2S1 ZINC000481188644 896536265 /nfs/dbraw/zinc/53/62/65/896536265.db2.gz JGTBBDSNXBEBIG-QFBILLFUSA-N 2 2 404.601 4.174 20 0 HIADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1Br ZINC000481312414 896660023 /nfs/dbraw/zinc/66/00/23/896660023.db2.gz IHFRNSAUXWGSIG-MRXNPFEDSA-N 2 2 419.363 4.141 20 0 HIADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481412711 896817299 /nfs/dbraw/zinc/81/72/99/896817299.db2.gz JZXADDVFVAUYEP-QFIPXVFZSA-N 2 2 416.949 4.055 20 0 HIADLP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000481729724 897123573 /nfs/dbraw/zinc/12/35/73/897123573.db2.gz XWZUDAUMUKGPEU-LAUBAEHRSA-N 2 2 402.380 4.461 20 0 HIADLP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000481729724 897123579 /nfs/dbraw/zinc/12/35/79/897123579.db2.gz XWZUDAUMUKGPEU-LAUBAEHRSA-N 2 2 402.380 4.461 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000482114665 897566691 /nfs/dbraw/zinc/56/66/91/897566691.db2.gz OKLGMCZTANKROP-JPYJTQIMSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000482114665 897566703 /nfs/dbraw/zinc/56/67/03/897566703.db2.gz OKLGMCZTANKROP-JPYJTQIMSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000482578048 898173787 /nfs/dbraw/zinc/17/37/87/898173787.db2.gz HCRWWLQEOWJNJK-SFHVURJKSA-N 2 2 421.520 4.436 20 0 HIADLP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000482578048 898173803 /nfs/dbraw/zinc/17/38/03/898173803.db2.gz HCRWWLQEOWJNJK-SFHVURJKSA-N 2 2 421.520 4.436 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn(-c3ccc(Br)cc3)nc1C)CCC2 ZINC000482786997 898395499 /nfs/dbraw/zinc/39/54/99/898395499.db2.gz ITLWHWPKUFKNON-INIZCTEOSA-N 2 2 414.351 4.115 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000483953942 899603633 /nfs/dbraw/zinc/60/36/33/899603633.db2.gz WYRMNKVGTVBNMU-SFHVURJKSA-N 2 2 409.921 4.080 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000483953942 899603640 /nfs/dbraw/zinc/60/36/40/899603640.db2.gz WYRMNKVGTVBNMU-SFHVURJKSA-N 2 2 409.921 4.080 20 0 HIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000484058618 899692123 /nfs/dbraw/zinc/69/21/23/899692123.db2.gz NFEWZAVDPFCWLB-UHFFFAOYSA-N 2 2 420.479 4.025 20 0 HIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000484058618 899692134 /nfs/dbraw/zinc/69/21/34/899692134.db2.gz NFEWZAVDPFCWLB-UHFFFAOYSA-N 2 2 420.479 4.025 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000484068541 899701605 /nfs/dbraw/zinc/70/16/05/899701605.db2.gz BYESJGMTBAQCBR-HXUWFJFHSA-N 3 2 421.564 4.313 20 0 HIADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000484130486 899751351 /nfs/dbraw/zinc/75/13/51/899751351.db2.gz MSLUFDZYQLPHFY-RTBURBONSA-N 2 2 415.603 4.372 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)c(Br)c1 ZINC000484138512 899759392 /nfs/dbraw/zinc/75/93/92/899759392.db2.gz WECFDTGDBRDMER-KLHJMIIUSA-N 2 2 421.354 4.122 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)c(Br)c1 ZINC000484138512 899759399 /nfs/dbraw/zinc/75/93/99/899759399.db2.gz WECFDTGDBRDMER-KLHJMIIUSA-N 2 2 421.354 4.122 20 0 HIADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000484153782 899775356 /nfs/dbraw/zinc/77/53/56/899775356.db2.gz APXOOBKOXRTCRZ-NTKDMRAZSA-N 2 2 418.541 4.278 20 0 HIADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000484153782 899775364 /nfs/dbraw/zinc/77/53/64/899775364.db2.gz APXOOBKOXRTCRZ-NTKDMRAZSA-N 2 2 418.541 4.278 20 0 HIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484156493 899777324 /nfs/dbraw/zinc/77/73/24/899777324.db2.gz GDZBPRAFLFZNEC-DBVUQKKJSA-N 2 2 401.620 4.283 20 0 HIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484156493 899777331 /nfs/dbraw/zinc/77/73/31/899777331.db2.gz GDZBPRAFLFZNEC-DBVUQKKJSA-N 2 2 401.620 4.283 20 0 HIADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484168063 899787775 /nfs/dbraw/zinc/78/77/75/899787775.db2.gz AAEJRRFBNLMUGN-KBMIEXCESA-N 2 2 421.610 4.330 20 0 HIADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484168063 899787787 /nfs/dbraw/zinc/78/77/87/899787787.db2.gz AAEJRRFBNLMUGN-KBMIEXCESA-N 2 2 421.610 4.330 20 0 HIADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cs2)cs1 ZINC000484171735 899790435 /nfs/dbraw/zinc/79/04/35/899790435.db2.gz GXSXFVFRJQHNFJ-OPAMFIHVSA-N 2 2 413.612 4.468 20 0 HIADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cs2)cs1 ZINC000484171735 899790443 /nfs/dbraw/zinc/79/04/43/899790443.db2.gz GXSXFVFRJQHNFJ-OPAMFIHVSA-N 2 2 413.612 4.468 20 0 HIADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC2CCCC2)c1 ZINC000484472754 899966460 /nfs/dbraw/zinc/96/64/60/899966460.db2.gz HJJZLSGTLUUSHP-NTKDMRAZSA-N 2 2 409.574 4.412 20 0 HIADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC2CCCC2)c1 ZINC000484472754 899966468 /nfs/dbraw/zinc/96/64/68/899966468.db2.gz HJJZLSGTLUUSHP-NTKDMRAZSA-N 2 2 409.574 4.412 20 0 HIADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000484472752 899966797 /nfs/dbraw/zinc/96/67/97/899966797.db2.gz HJJZLSGTLUUSHP-CYFREDJKSA-N 2 2 409.574 4.412 20 0 HIADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000484472752 899966801 /nfs/dbraw/zinc/96/68/01/899966801.db2.gz HJJZLSGTLUUSHP-CYFREDJKSA-N 2 2 409.574 4.412 20 0 HIADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486158372 901346610 /nfs/dbraw/zinc/34/66/10/901346610.db2.gz NEOVLHLTZKTAMY-NCXUSEDFSA-N 2 2 424.054 4.301 20 0 HIADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486158372 901346626 /nfs/dbraw/zinc/34/66/26/901346626.db2.gz NEOVLHLTZKTAMY-NCXUSEDFSA-N 2 2 424.054 4.301 20 0 HIADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489294560 903314552 /nfs/dbraw/zinc/31/45/52/903314552.db2.gz OMZDUWGNQVKBIP-NRFANRHFSA-N 2 2 408.590 4.057 20 0 HIADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489294560 903314563 /nfs/dbraw/zinc/31/45/63/903314563.db2.gz OMZDUWGNQVKBIP-NRFANRHFSA-N 2 2 408.590 4.057 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489300463 903318961 /nfs/dbraw/zinc/31/89/61/903318961.db2.gz ZFDAXXRHIDYCTH-IBGZPJMESA-N 2 2 410.562 4.046 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489300463 903318975 /nfs/dbraw/zinc/31/89/75/903318975.db2.gz ZFDAXXRHIDYCTH-IBGZPJMESA-N 2 2 410.562 4.046 20 0 HIADLP c1sc(COc2ccccc2)nc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506036219 914723255 /nfs/dbraw/zinc/72/32/55/914723255.db2.gz MEXFKZCQNNDFGV-UHFFFAOYSA-N 2 2 415.603 4.047 20 0 HIADLP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000490032549 903735601 /nfs/dbraw/zinc/73/56/01/903735601.db2.gz RDMXWEMGEIQQRI-XMMPIXPASA-N 2 2 422.573 4.051 20 0 HIADLP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000490032549 903735615 /nfs/dbraw/zinc/73/56/15/903735615.db2.gz RDMXWEMGEIQQRI-XMMPIXPASA-N 2 2 422.573 4.051 20 0 HIADLP c1ccc(C([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2ccccc2)cc1 ZINC000490156750 903798409 /nfs/dbraw/zinc/79/84/09/903798409.db2.gz JYHZIJHRPWQYLU-UHFFFAOYSA-N 2 2 402.538 4.277 20 0 HIADLP C[C@@H](C[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F)CN1CC[NH+](C)CC1 ZINC000491061569 904405484 /nfs/dbraw/zinc/40/54/84/904405484.db2.gz RQYOBUWMOZTAIS-KSFYIVLOSA-N 2 2 407.936 4.181 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000491922304 904735162 /nfs/dbraw/zinc/73/51/62/904735162.db2.gz YUARPWRRVLVSQF-LJQANCHMSA-N 2 2 418.545 4.023 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000491922304 904735177 /nfs/dbraw/zinc/73/51/77/904735177.db2.gz YUARPWRRVLVSQF-LJQANCHMSA-N 2 2 418.545 4.023 20 0 HIADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000493989280 905330679 /nfs/dbraw/zinc/33/06/79/905330679.db2.gz KMFBMOBPIGGWOD-XZOQPEGZSA-N 2 2 400.513 4.412 20 0 HIADLP Clc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494401996 905694535 /nfs/dbraw/zinc/69/45/35/905694535.db2.gz CMXUKNHBYDFHCL-HXUWFJFHSA-N 2 2 403.917 4.494 20 0 HIADLP Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n2)c1 ZINC000494421863 905707367 /nfs/dbraw/zinc/70/73/67/905707367.db2.gz AKFAQIAWSSAJOV-AYWYSENESA-N 2 2 402.546 4.021 20 0 HIADLP Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2)c1 ZINC000494421863 905707376 /nfs/dbraw/zinc/70/73/76/905707376.db2.gz AKFAQIAWSSAJOV-AYWYSENESA-N 2 2 402.546 4.021 20 0 HIADLP CC(C)c1cnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000494915051 906088439 /nfs/dbraw/zinc/08/84/39/906088439.db2.gz ALJMSJDZYJZLBO-ZWKOTPCHSA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)c1cnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000494915051 906088452 /nfs/dbraw/zinc/08/84/52/906088452.db2.gz ALJMSJDZYJZLBO-ZWKOTPCHSA-N 2 2 407.628 4.067 20 0 HIADLP CCCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)Nc1cc(C)on1 ZINC000495722851 906530724 /nfs/dbraw/zinc/53/07/24/906530724.db2.gz CWVCHEYKXRSMQH-PKOBYXMFSA-N 2 2 404.580 4.044 20 0 HIADLP CCCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)Nc1cc(C)on1 ZINC000495722851 906530739 /nfs/dbraw/zinc/53/07/39/906530739.db2.gz CWVCHEYKXRSMQH-PKOBYXMFSA-N 2 2 404.580 4.044 20 0 HIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2)c[nH+]1 ZINC000512648529 921274044 /nfs/dbraw/zinc/27/40/44/921274044.db2.gz NZFPGTZPFHKNBP-JIMJEQGWSA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2)c[nH+]1 ZINC000512648529 921274049 /nfs/dbraw/zinc/27/40/49/921274049.db2.gz NZFPGTZPFHKNBP-JIMJEQGWSA-N 3 2 400.570 4.322 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000498414851 907890156 /nfs/dbraw/zinc/89/01/56/907890156.db2.gz MQLMWSBTWJVJGO-UHFFFAOYSA-N 2 2 406.014 4.026 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000498414851 907890160 /nfs/dbraw/zinc/89/01/60/907890160.db2.gz MQLMWSBTWJVJGO-UHFFFAOYSA-N 2 2 406.014 4.026 20 0 HIADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(C(=O)NCc4ccco4)c3)C2)CC1 ZINC000498887297 908288560 /nfs/dbraw/zinc/28/85/60/908288560.db2.gz BZVYFMFWNVOFPL-QFIPXVFZSA-N 2 2 409.574 4.154 20 0 HIADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(C(=O)NCc4ccco4)c3)C2)CC1 ZINC000498887297 908288573 /nfs/dbraw/zinc/28/85/73/908288573.db2.gz BZVYFMFWNVOFPL-QFIPXVFZSA-N 2 2 409.574 4.154 20 0 HIADLP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000499213650 908570042 /nfs/dbraw/zinc/57/00/42/908570042.db2.gz ALLNGSKOJDLZAT-CWKRKGSWSA-N 2 2 409.961 4.231 20 0 HIADLP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000499213650 908570055 /nfs/dbraw/zinc/57/00/55/908570055.db2.gz ALLNGSKOJDLZAT-CWKRKGSWSA-N 2 2 409.961 4.231 20 0 HIADLP FC(F)(F)c1ccc(C[C@]2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCOC2)cc1 ZINC000513027868 921488609 /nfs/dbraw/zinc/48/86/09/921488609.db2.gz QJJTVSIFYTZTAJ-LJQANCHMSA-N 2 2 407.461 4.444 20 0 HIADLP CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000513057539 921514127 /nfs/dbraw/zinc/51/41/27/921514127.db2.gz MIBWSJIERNVTMJ-HSZRJFAPSA-N 2 2 421.589 4.048 20 0 HIADLP C[NH+](C)Cc1cccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000501033724 910249076 /nfs/dbraw/zinc/24/90/76/910249076.db2.gz VDQVEDNVJDGDGT-HXUWFJFHSA-N 2 2 418.944 4.499 20 0 HIADLP CC(=O)N(c1nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cs1)c1ccccc1 ZINC000501779579 910834982 /nfs/dbraw/zinc/83/49/82/910834982.db2.gz XFSFBGONJOADBR-UHFFFAOYSA-N 2 2 400.592 4.382 20 0 HIADLP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000501788240 910841015 /nfs/dbraw/zinc/84/10/15/910841015.db2.gz DSBGBJSDWPVFIF-MRXNPFEDSA-N 2 2 420.623 4.145 20 0 HIADLP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000501788240 910841023 /nfs/dbraw/zinc/84/10/23/910841023.db2.gz DSBGBJSDWPVFIF-MRXNPFEDSA-N 2 2 420.623 4.145 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC000502858212 911866247 /nfs/dbraw/zinc/86/62/47/911866247.db2.gz HUYSAGVZOHCWAC-NJDAHSKKSA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC000502858212 911866252 /nfs/dbraw/zinc/86/62/52/911866252.db2.gz HUYSAGVZOHCWAC-NJDAHSKKSA-N 2 2 416.610 4.072 20 0 HIADLP CCC(CC)(CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000502923461 911908154 /nfs/dbraw/zinc/90/81/54/911908154.db2.gz CGJMJMJUCUIPFQ-HXUWFJFHSA-N 2 2 423.605 4.259 20 0 HIADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503075603 912046054 /nfs/dbraw/zinc/04/60/54/912046054.db2.gz OEKLIUSCSKYCTE-NMMYMHLASA-N 2 2 402.542 4.384 20 0 HIADLP C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503075603 912046073 /nfs/dbraw/zinc/04/60/73/912046073.db2.gz OEKLIUSCSKYCTE-NMMYMHLASA-N 2 2 402.542 4.384 20 0 HIADLP Cc1cccn2cc(COc3ccc(C[NH+]4CCC([NH+]5CCCC5)CC4)cc3)nc12 ZINC000506500362 915119711 /nfs/dbraw/zinc/11/97/11/915119711.db2.gz UCIPKPYMNMEXGH-UHFFFAOYSA-N 2 2 404.558 4.282 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000507896708 916756405 /nfs/dbraw/zinc/75/64/05/916756405.db2.gz SPCONDDOYSKFGY-NZQKXSOJSA-N 2 2 402.542 4.014 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000507896708 916756444 /nfs/dbraw/zinc/75/64/44/916756444.db2.gz SPCONDDOYSKFGY-NZQKXSOJSA-N 2 2 402.542 4.014 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000508065016 916889111 /nfs/dbraw/zinc/88/91/11/916889111.db2.gz RSARNPSWEGHIHC-IBGZPJMESA-N 2 2 424.372 4.286 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000508065016 916889115 /nfs/dbraw/zinc/88/91/15/916889115.db2.gz RSARNPSWEGHIHC-IBGZPJMESA-N 2 2 424.372 4.286 20 0 HIADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+](C)C ZINC000508896176 917650742 /nfs/dbraw/zinc/65/07/42/917650742.db2.gz HVKBYSQADOKGIT-XXBNENTESA-N 2 2 423.605 4.108 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCc4ccc(Br)cc43)[nH+]c2)CC1 ZINC000510716913 919158892 /nfs/dbraw/zinc/15/88/92/919158892.db2.gz QNXNGJHHGZENQR-HXUWFJFHSA-N 2 2 415.379 4.474 20 0 HIADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000512007196 920778672 /nfs/dbraw/zinc/77/86/72/920778672.db2.gz IRHVMNCLDXNBHW-YVEFUNNKSA-N 2 2 423.932 4.103 20 0 HIADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000512023837 920799721 /nfs/dbraw/zinc/79/97/21/920799721.db2.gz LDCYNNKVSHRDQL-QFSBIZTOSA-N 2 2 403.876 4.148 20 0 HIADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000512023837 920799743 /nfs/dbraw/zinc/79/97/43/920799743.db2.gz LDCYNNKVSHRDQL-QFSBIZTOSA-N 2 2 403.876 4.148 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cscc3Br)cc2)C[C@@H](C)O1 ZINC000512088948 920853130 /nfs/dbraw/zinc/85/31/30/920853130.db2.gz PXAKANIWIUSIJL-HUUCEWRRSA-N 2 2 409.393 4.410 20 0 HIADLP COc1ccc(C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)c2ccccc2)cc1OC ZINC000512138182 920883870 /nfs/dbraw/zinc/88/38/70/920883870.db2.gz XZURRESKLMGYLI-HXUWFJFHSA-N 2 2 411.571 4.296 20 0 HIADLP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)CC1 ZINC000512279616 921034359 /nfs/dbraw/zinc/03/43/59/921034359.db2.gz GBWXKPHYKMGZPQ-QGZVFWFLSA-N 2 2 413.562 4.406 20 0 HIADLP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)CC1 ZINC000512279616 921034373 /nfs/dbraw/zinc/03/43/73/921034373.db2.gz GBWXKPHYKMGZPQ-QGZVFWFLSA-N 2 2 413.562 4.406 20 0 HIADLP C[N@H+](Cc1ccc(OCc2cccnc2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512354348 921099233 /nfs/dbraw/zinc/09/92/33/921099233.db2.gz AYJURDURVDCVAS-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512354348 921099244 /nfs/dbraw/zinc/09/92/44/921099244.db2.gz AYJURDURVDCVAS-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)cc2)CC1 ZINC000515081123 922897413 /nfs/dbraw/zinc/89/74/13/922897413.db2.gz SNNDKKDGJDGWPU-XMMPIXPASA-N 2 2 416.569 4.480 20 0 HIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1cc2c(C)nn(C)c2s1)c1ccccc1 ZINC000515688700 923272511 /nfs/dbraw/zinc/27/25/11/923272511.db2.gz WIUKTWAESKQEEJ-XLIONFOSSA-N 2 2 400.592 4.303 20 0 HIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1cc2c(C)nn(C)c2s1)c1ccccc1 ZINC000515688700 923272529 /nfs/dbraw/zinc/27/25/29/923272529.db2.gz WIUKTWAESKQEEJ-XLIONFOSSA-N 2 2 400.592 4.303 20 0 HIADLP CC1CC[NH+]([C@H](CNC(=O)NCCCCNc2cccc[nH+]2)c2cccs2)CC1 ZINC000517103063 923999175 /nfs/dbraw/zinc/99/91/75/923999175.db2.gz APDKBXVCNZCYBR-LJQANCHMSA-N 2 2 415.607 4.108 20 0 HIADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000517149730 924026153 /nfs/dbraw/zinc/02/61/53/924026153.db2.gz YYYYJQWHSLARRW-HXUWFJFHSA-N 2 2 415.969 4.063 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000517912038 926888135 /nfs/dbraw/zinc/88/81/35/926888135.db2.gz MIBMNMYDQMIPSZ-FQEVSTJZSA-N 2 2 409.578 4.148 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000517912038 926888139 /nfs/dbraw/zinc/88/81/39/926888139.db2.gz MIBMNMYDQMIPSZ-FQEVSTJZSA-N 2 2 409.578 4.148 20 0 HIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000518623183 927384590 /nfs/dbraw/zinc/38/45/90/927384590.db2.gz XISFYRBEPHGDKR-MRXNPFEDSA-N 2 2 413.363 4.412 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668529 928043092 /nfs/dbraw/zinc/04/30/92/928043092.db2.gz JPAQAHTWYYUUBV-HKUYNNGSSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668529 928043109 /nfs/dbraw/zinc/04/31/09/928043109.db2.gz JPAQAHTWYYUUBV-HKUYNNGSSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668529 928043118 /nfs/dbraw/zinc/04/31/18/928043118.db2.gz JPAQAHTWYYUUBV-HKUYNNGSSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668529 928043138 /nfs/dbraw/zinc/04/31/38/928043138.db2.gz JPAQAHTWYYUUBV-HKUYNNGSSA-N 2 2 420.022 4.169 20 0 HIADLP CCOc1c(Cl)cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000520951871 928886499 /nfs/dbraw/zinc/88/64/99/928886499.db2.gz QPRMLRTXEWLMFI-UHFFFAOYSA-N 2 2 417.981 4.049 20 0 HIADLP COCCC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2Br)C(C)C)CC1 ZINC000521695097 929370443 /nfs/dbraw/zinc/37/04/43/929370443.db2.gz FRKLTYJUDHZNHV-HXUWFJFHSA-N 2 2 413.400 4.245 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000530578606 930756809 /nfs/dbraw/zinc/75/68/09/930756809.db2.gz SVLPLNLPLYWVHR-SFHVURJKSA-N 2 2 408.468 4.218 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000531429796 931053303 /nfs/dbraw/zinc/05/33/03/931053303.db2.gz WUDGZHRPOLNBJG-UHFFFAOYSA-N 3 2 414.569 4.109 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000531429796 931053308 /nfs/dbraw/zinc/05/33/08/931053308.db2.gz WUDGZHRPOLNBJG-UHFFFAOYSA-N 3 2 414.569 4.109 20 0 HIADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000531651981 931140452 /nfs/dbraw/zinc/14/04/52/931140452.db2.gz JROPDVJVEDDJCT-UZLBHIALSA-N 2 2 410.389 4.075 20 0 HIADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000531651981 931140457 /nfs/dbraw/zinc/14/04/57/931140457.db2.gz JROPDVJVEDDJCT-UZLBHIALSA-N 2 2 410.389 4.075 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)cc2)CC1 ZINC000531682134 931150522 /nfs/dbraw/zinc/15/05/22/931150522.db2.gz YUQRYTURDRCROU-OAQYLSRUSA-N 3 2 417.601 4.169 20 0 HIADLP CSCC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1nnc2ccccn21 ZINC000531690407 931155397 /nfs/dbraw/zinc/15/53/97/931155397.db2.gz KLLPYVIAEBFMJD-OXQOHEQNSA-N 2 2 406.559 4.368 20 0 HIADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc(Br)ccc1F ZINC000531703584 931164716 /nfs/dbraw/zinc/16/47/16/931164716.db2.gz MAVXPXVMJKIETJ-IERDGZPVSA-N 2 2 420.370 4.228 20 0 HIADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1sccc1Br ZINC000531965610 931268596 /nfs/dbraw/zinc/26/85/96/931268596.db2.gz FBBAZDYNXWETSN-YJBOKZPZSA-N 2 2 408.409 4.150 20 0 HIADLP Cc1ccc(CNC(=O)c2cccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)c2)cc1 ZINC000532202993 931348481 /nfs/dbraw/zinc/34/84/81/931348481.db2.gz YHVSTQJJWJBHSN-UHFFFAOYSA-N 2 2 414.553 4.079 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1cccc(C(F)(F)F)c1 ZINC000532345685 931402284 /nfs/dbraw/zinc/40/22/84/931402284.db2.gz IFVAUICLZPFFAV-AHRSYUTCSA-N 2 2 422.495 4.395 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000532468712 931449262 /nfs/dbraw/zinc/44/92/62/931449262.db2.gz HKZPLWVLFKSHSJ-KRWDZBQOSA-N 2 2 408.464 4.267 20 0 HIADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCCn1cc[nH+]c1 ZINC000532479768 931454941 /nfs/dbraw/zinc/45/49/41/931454941.db2.gz LRLSMNMNXPRUPX-CYBMUJFWSA-N 2 2 402.848 4.342 20 0 HIADLP CC[N@H+](Cc1nc(C(C)(C)C)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073446 931763211 /nfs/dbraw/zinc/76/32/11/931763211.db2.gz PYDXMYAIMLYQIW-UHFFFAOYSA-N 2 2 400.571 4.080 20 0 HIADLP CC[N@@H+](Cc1nc(C(C)(C)C)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073446 931763215 /nfs/dbraw/zinc/76/32/15/931763215.db2.gz PYDXMYAIMLYQIW-UHFFFAOYSA-N 2 2 400.571 4.080 20 0 HIADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000533290004 931829178 /nfs/dbraw/zinc/82/91/78/931829178.db2.gz KNHCAJRMFITOIY-VWNXMTODSA-N 2 2 413.606 4.089 20 0 HIADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000533290004 931829182 /nfs/dbraw/zinc/82/91/82/931829182.db2.gz KNHCAJRMFITOIY-VWNXMTODSA-N 2 2 413.606 4.089 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533289589 931829286 /nfs/dbraw/zinc/82/92/86/931829286.db2.gz RIDDLDQYZQTYMU-XUZZJYLKSA-N 2 2 405.586 4.231 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533289589 931829287 /nfs/dbraw/zinc/82/92/87/931829287.db2.gz RIDDLDQYZQTYMU-XUZZJYLKSA-N 2 2 405.586 4.231 20 0 HIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000533307224 931834937 /nfs/dbraw/zinc/83/49/37/931834937.db2.gz NTYKVKLZEZUGHV-MRXNPFEDSA-N 2 2 405.384 4.297 20 0 HIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000533307224 931834939 /nfs/dbraw/zinc/83/49/39/931834939.db2.gz NTYKVKLZEZUGHV-MRXNPFEDSA-N 2 2 405.384 4.297 20 0 HIADLP CN(C(=O)[C@@H]1CCSc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646849 931942905 /nfs/dbraw/zinc/94/29/05/931942905.db2.gz DOEGDCGDMBVQJI-YPAWHYETSA-N 2 2 415.647 4.062 20 0 HIADLP CN(C(=O)[C@@H]1CCSc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646849 931942913 /nfs/dbraw/zinc/94/29/13/931942913.db2.gz DOEGDCGDMBVQJI-YPAWHYETSA-N 2 2 415.647 4.062 20 0 HIADLP CC(C)COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533646496 931943721 /nfs/dbraw/zinc/94/37/21/931943721.db2.gz AUEKNRIVTHDDDT-DNQXCXABSA-N 2 2 415.622 4.131 20 0 HIADLP CC(C)COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533646496 931943724 /nfs/dbraw/zinc/94/37/24/931943724.db2.gz AUEKNRIVTHDDDT-DNQXCXABSA-N 2 2 415.622 4.131 20 0 HIADLP CN(C(=O)CCSc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648492 931944055 /nfs/dbraw/zinc/94/40/55/931944055.db2.gz OPTKVUVZYDLHLE-VXKWHMMOSA-N 2 2 421.626 4.104 20 0 HIADLP CN(C(=O)CCSc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648492 931944064 /nfs/dbraw/zinc/94/40/64/931944064.db2.gz OPTKVUVZYDLHLE-VXKWHMMOSA-N 2 2 421.626 4.104 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682658 931968333 /nfs/dbraw/zinc/96/83/33/931968333.db2.gz KWDYLXYOKRWHNL-FCHUYYIVSA-N 2 2 415.940 4.250 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682658 931968336 /nfs/dbraw/zinc/96/83/36/931968336.db2.gz KWDYLXYOKRWHNL-FCHUYYIVSA-N 2 2 415.940 4.250 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000533840730 932054877 /nfs/dbraw/zinc/05/48/77/932054877.db2.gz GKQHKUCDSUSDTG-UHFFFAOYSA-N 2 2 412.537 4.453 20 0 HIADLP CN(C(=O)c1cncc(-c2ccccc2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357662 932391708 /nfs/dbraw/zinc/39/17/08/932391708.db2.gz DBKXCIMTIPWUHX-LOSJGSFVSA-N 2 2 420.601 4.158 20 0 HIADLP CN(C(=O)c1cncc(-c2ccccc2)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357662 932391712 /nfs/dbraw/zinc/39/17/12/932391712.db2.gz DBKXCIMTIPWUHX-LOSJGSFVSA-N 2 2 420.601 4.158 20 0 HIADLP Cc1ccsc1CCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360675 932394280 /nfs/dbraw/zinc/39/42/80/932394280.db2.gz OTXLYGYEJBVILG-RTWAWAEBSA-N 2 2 405.652 4.175 20 0 HIADLP Cc1ccsc1CCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360675 932394285 /nfs/dbraw/zinc/39/42/85/932394285.db2.gz OTXLYGYEJBVILG-RTWAWAEBSA-N 2 2 405.652 4.175 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534932321 932844268 /nfs/dbraw/zinc/84/42/68/932844268.db2.gz YDNQCZPVWJVBBQ-VQTJNVASSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534932321 932844273 /nfs/dbraw/zinc/84/42/73/932844273.db2.gz YDNQCZPVWJVBBQ-VQTJNVASSA-N 2 2 410.965 4.280 20 0 HIADLP CCn1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000535094233 932906993 /nfs/dbraw/zinc/90/69/93/932906993.db2.gz JGGUUOJENQHLAM-RPWUZVMVSA-N 2 2 410.606 4.070 20 0 HIADLP CCn1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000535094233 932907004 /nfs/dbraw/zinc/90/70/04/932907004.db2.gz JGGUUOJENQHLAM-RPWUZVMVSA-N 2 2 410.606 4.070 20 0 HIADLP CSc1ccc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535094959 932908922 /nfs/dbraw/zinc/90/89/22/932908922.db2.gz IAAMTLNQTKOTTQ-VXKWHMMOSA-N 2 2 403.636 4.126 20 0 HIADLP CSc1ccc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535094959 932908926 /nfs/dbraw/zinc/90/89/26/932908926.db2.gz IAAMTLNQTKOTTQ-VXKWHMMOSA-N 2 2 403.636 4.126 20 0 HIADLP Cc1cc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000535109077 932926322 /nfs/dbraw/zinc/92/63/22/932926322.db2.gz CDFNBEWKDXELJG-HSQYWUDLSA-N 2 2 420.667 4.405 20 0 HIADLP Cc1cc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000535109077 932926331 /nfs/dbraw/zinc/92/63/31/932926331.db2.gz CDFNBEWKDXELJG-HSQYWUDLSA-N 2 2 420.667 4.405 20 0 HIADLP Cc1cccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535112657 932928763 /nfs/dbraw/zinc/92/87/63/932928763.db2.gz RUKQJNUVFCFCJZ-NKKJXINNSA-N 2 2 414.638 4.343 20 0 HIADLP Cc1cccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535112657 932928771 /nfs/dbraw/zinc/92/87/71/932928771.db2.gz RUKQJNUVFCFCJZ-NKKJXINNSA-N 2 2 414.638 4.343 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000535287855 933051345 /nfs/dbraw/zinc/05/13/45/933051345.db2.gz IGPHJYSLWHLVLL-QFIPXVFZSA-N 2 2 412.537 4.453 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000535287855 933051350 /nfs/dbraw/zinc/05/13/50/933051350.db2.gz IGPHJYSLWHLVLL-QFIPXVFZSA-N 2 2 412.537 4.453 20 0 HIADLP CCOc1cc(C)ccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535643557 933284683 /nfs/dbraw/zinc/28/46/83/933284683.db2.gz ZSQZKKNZMJESQF-VXKWHMMOSA-N 2 2 416.610 4.195 20 0 HIADLP CCOc1cc(C)ccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535643557 933284688 /nfs/dbraw/zinc/28/46/88/933284688.db2.gz ZSQZKKNZMJESQF-VXKWHMMOSA-N 2 2 416.610 4.195 20 0 HIADLP CC(C)Oc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535645136 933285133 /nfs/dbraw/zinc/28/51/33/933285133.db2.gz WFRSQQRKBZTMCB-PKTZIBPZSA-N 2 2 416.610 4.275 20 0 HIADLP CC(C)Oc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535645136 933285140 /nfs/dbraw/zinc/28/51/40/933285140.db2.gz WFRSQQRKBZTMCB-PKTZIBPZSA-N 2 2 416.610 4.275 20 0 HIADLP CN(C(=O)Nc1cccc(Cl)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535647050 933287978 /nfs/dbraw/zinc/28/79/78/933287978.db2.gz OBCWJWMGEODWNH-MOPGFXCFSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cccc(Cl)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535647050 933288003 /nfs/dbraw/zinc/28/80/03/933288003.db2.gz OBCWJWMGEODWNH-MOPGFXCFSA-N 2 2 410.965 4.280 20 0 HIADLP CCc1cccc(C)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535663174 933308635 /nfs/dbraw/zinc/30/86/35/933308635.db2.gz YWFBBUQOFMQESY-FCHUYYIVSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1cccc(C)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535663174 933308648 /nfs/dbraw/zinc/30/86/48/933308648.db2.gz YWFBBUQOFMQESY-FCHUYYIVSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1cccc(C)c1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535663184 933308792 /nfs/dbraw/zinc/30/87/92/933308792.db2.gz YWFBBUQOFMQESY-YADHBBJMSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1cccc(C)c1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535663184 933308806 /nfs/dbraw/zinc/30/88/06/933308806.db2.gz YWFBBUQOFMQESY-YADHBBJMSA-N 2 2 400.611 4.358 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1C ZINC000535674457 933323134 /nfs/dbraw/zinc/32/31/34/933323134.db2.gz FIJHVCGODZHCTB-HXUWFJFHSA-N 2 2 421.585 4.393 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1C ZINC000535674457 933323149 /nfs/dbraw/zinc/32/31/49/933323149.db2.gz FIJHVCGODZHCTB-HXUWFJFHSA-N 2 2 421.585 4.393 20 0 HIADLP Fc1ccc([C@H]2C[NH+](CCCC[N@@H+]3CCO[C@@H](c4ccc(F)cc4)C3)CCO2)cc1 ZINC000535722909 933369084 /nfs/dbraw/zinc/36/90/84/933369084.db2.gz NTRZABYLTFZGOK-DNQXCXABSA-N 2 2 416.512 4.192 20 0 HIADLP Fc1ccc([C@H]2C[NH+](CCCC[N@H+]3CCO[C@@H](c4ccc(F)cc4)C3)CCO2)cc1 ZINC000535722909 933369094 /nfs/dbraw/zinc/36/90/94/933369094.db2.gz NTRZABYLTFZGOK-DNQXCXABSA-N 2 2 416.512 4.192 20 0 HIADLP CN(C(=O)CCSc1ccccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851994 933435647 /nfs/dbraw/zinc/43/56/47/933435647.db2.gz ZZVSKNHDRCHJED-SFTDATJTSA-N 2 2 421.626 4.104 20 0 HIADLP CN(C(=O)CCSc1ccccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851994 933435651 /nfs/dbraw/zinc/43/56/51/933435651.db2.gz ZZVSKNHDRCHJED-SFTDATJTSA-N 2 2 421.626 4.104 20 0 HIADLP Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855524 933439409 /nfs/dbraw/zinc/43/94/09/933439409.db2.gz MIMFMJYNJVAMFW-PKTZIBPZSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855524 933439414 /nfs/dbraw/zinc/43/94/14/933439414.db2.gz MIMFMJYNJVAMFW-PKTZIBPZSA-N 2 2 410.606 4.194 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ncc(Br)s1 ZINC000535987401 933547392 /nfs/dbraw/zinc/54/73/92/933547392.db2.gz NFGQSKLABIDHRJ-KFWWJZLASA-N 2 2 424.408 4.366 20 0 HIADLP COc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)c[nH+]2)cc1C[NH+]1CCCCC1 ZINC000537393695 933754952 /nfs/dbraw/zinc/75/49/52/933754952.db2.gz FYWVBEHWRMXZQD-LJQANCHMSA-N 2 2 410.562 4.086 20 0 HIADLP COC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000537456791 933781514 /nfs/dbraw/zinc/78/15/14/933781514.db2.gz YDRAJKWGPUPKGG-MOPGFXCFSA-N 2 2 408.468 4.040 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1Cl ZINC000562591779 945104050 /nfs/dbraw/zinc/10/40/50/945104050.db2.gz BUZCACMJIPKUNG-MOPGFXCFSA-N 2 2 409.977 4.197 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1Cl ZINC000562591779 945104058 /nfs/dbraw/zinc/10/40/58/945104058.db2.gz BUZCACMJIPKUNG-MOPGFXCFSA-N 2 2 409.977 4.197 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000537950730 938429762 /nfs/dbraw/zinc/42/97/62/938429762.db2.gz KBVMIKNMUMOLIV-QZTJIDSGSA-N 2 2 407.562 4.242 20 0 HIADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000537986151 938448740 /nfs/dbraw/zinc/44/87/40/938448740.db2.gz GFIJJNFBFKLODT-VWLOTQADSA-N 2 2 405.586 4.257 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1F ZINC000538276742 938581703 /nfs/dbraw/zinc/58/17/03/938581703.db2.gz REWGNVUOQLLIIC-JOCHJYFZSA-N 3 2 420.532 4.398 20 0 HIADLP CSCc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538353600 938601922 /nfs/dbraw/zinc/60/19/22/938601922.db2.gz DJZBHJDRBJJVLM-FGZHOGPDSA-N 2 2 418.651 4.351 20 0 HIADLP CSCc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538353600 938601925 /nfs/dbraw/zinc/60/19/25/938601925.db2.gz DJZBHJDRBJJVLM-FGZHOGPDSA-N 2 2 418.651 4.351 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000538354760 938602345 /nfs/dbraw/zinc/60/23/45/938602345.db2.gz WUFGPQCQHXYWRO-FCHUYYIVSA-N 2 2 404.574 4.189 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000538354760 938602348 /nfs/dbraw/zinc/60/23/48/938602348.db2.gz WUFGPQCQHXYWRO-FCHUYYIVSA-N 2 2 404.574 4.189 20 0 HIADLP Clc1ccc([C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000539200659 938818495 /nfs/dbraw/zinc/81/84/95/938818495.db2.gz UMSQFRIFXUDAQH-HSZRJFAPSA-N 2 2 400.950 4.292 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc(C(F)(F)F)cs2)CC1 ZINC000539313866 938839526 /nfs/dbraw/zinc/83/95/26/938839526.db2.gz RICAMDPKYHTOBU-CYBMUJFWSA-N 2 2 416.488 4.294 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000539818387 938941835 /nfs/dbraw/zinc/94/18/35/938941835.db2.gz YVJQSCBPQOYIOD-APWZRJJASA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000539818387 938941845 /nfs/dbraw/zinc/94/18/45/938941845.db2.gz YVJQSCBPQOYIOD-APWZRJJASA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000539818387 938941848 /nfs/dbraw/zinc/94/18/48/938941848.db2.gz YVJQSCBPQOYIOD-APWZRJJASA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000539818387 938941858 /nfs/dbraw/zinc/94/18/58/938941858.db2.gz YVJQSCBPQOYIOD-APWZRJJASA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000539818388 938942722 /nfs/dbraw/zinc/94/27/22/938942722.db2.gz YVJQSCBPQOYIOD-LPHOPBHVSA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000539818388 938942723 /nfs/dbraw/zinc/94/27/23/938942723.db2.gz YVJQSCBPQOYIOD-LPHOPBHVSA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000539818388 938942724 /nfs/dbraw/zinc/94/27/24/938942724.db2.gz YVJQSCBPQOYIOD-LPHOPBHVSA-N 2 2 413.400 4.027 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000539818388 938942725 /nfs/dbraw/zinc/94/27/25/938942725.db2.gz YVJQSCBPQOYIOD-LPHOPBHVSA-N 2 2 413.400 4.027 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(C(F)(F)F)ccc1F ZINC000539822693 938945257 /nfs/dbraw/zinc/94/52/57/938945257.db2.gz RERWRGBCUJUZLP-UHFFFAOYSA-N 3 2 415.519 4.473 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(C(F)(F)F)ccc1F ZINC000539822693 938945270 /nfs/dbraw/zinc/94/52/70/938945270.db2.gz RERWRGBCUJUZLP-UHFFFAOYSA-N 3 2 415.519 4.473 20 0 HIADLP COc1ccc(-c2ccccc2)cc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000539963325 938981847 /nfs/dbraw/zinc/98/18/47/938981847.db2.gz SHNJRXUERBXWIC-SANMLTNESA-N 2 2 415.581 4.441 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000540147792 939091245 /nfs/dbraw/zinc/09/12/45/939091245.db2.gz ZFAPNAWOFMUFGI-DYESRHJHSA-N 2 2 407.480 4.161 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000540147792 939091250 /nfs/dbraw/zinc/09/12/50/939091250.db2.gz ZFAPNAWOFMUFGI-DYESRHJHSA-N 2 2 407.480 4.161 20 0 HIADLP CSC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540987615 939425700 /nfs/dbraw/zinc/42/57/00/939425700.db2.gz UXLAIHLONLPWRF-IBGZPJMESA-N 2 2 424.536 4.046 20 0 HIADLP CC(C)[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1F ZINC000540988569 939425754 /nfs/dbraw/zinc/42/57/54/939425754.db2.gz FYLALFXFXKZAIP-NRFANRHFSA-N 2 2 424.992 4.034 20 0 HIADLP CSC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000540991712 939426764 /nfs/dbraw/zinc/42/67/64/939426764.db2.gz KELYQTULOFWOTA-RTWAWAEBSA-N 2 2 424.532 4.336 20 0 HIADLP CSC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000540991712 939426767 /nfs/dbraw/zinc/42/67/67/939426767.db2.gz KELYQTULOFWOTA-RTWAWAEBSA-N 2 2 424.532 4.336 20 0 HIADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000540991904 939427166 /nfs/dbraw/zinc/42/71/66/939427166.db2.gz OPWMPZPWUVAONX-BVAGGSTKSA-N 2 2 413.521 4.274 20 0 HIADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000540991904 939427168 /nfs/dbraw/zinc/42/71/68/939427168.db2.gz OPWMPZPWUVAONX-BVAGGSTKSA-N 2 2 413.521 4.274 20 0 HIADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000540991909 939427205 /nfs/dbraw/zinc/42/72/05/939427205.db2.gz OPWMPZPWUVAONX-ZEQKJWHPSA-N 2 2 413.521 4.274 20 0 HIADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000540991909 939427206 /nfs/dbraw/zinc/42/72/06/939427206.db2.gz OPWMPZPWUVAONX-ZEQKJWHPSA-N 2 2 413.521 4.274 20 0 HIADLP CN(C(=O)Nc1ccc(-c2ccc[nH]2)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541449932 939519358 /nfs/dbraw/zinc/51/93/58/939519358.db2.gz PFOGUCZJDRMAPG-BJKOFHAPSA-N 2 2 423.605 4.483 20 0 HIADLP CN(C(=O)Nc1ccc(-c2ccc[nH]2)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541449932 939519359 /nfs/dbraw/zinc/51/93/59/939519359.db2.gz PFOGUCZJDRMAPG-BJKOFHAPSA-N 2 2 423.605 4.483 20 0 HIADLP COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)c1 ZINC000541601581 939565333 /nfs/dbraw/zinc/56/53/33/939565333.db2.gz IPRVQNVJBGNHHM-LPHOPBHVSA-N 2 2 413.587 4.339 20 0 HIADLP COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)c1 ZINC000541601581 939565336 /nfs/dbraw/zinc/56/53/36/939565336.db2.gz IPRVQNVJBGNHHM-LPHOPBHVSA-N 2 2 413.587 4.339 20 0 HIADLP O=C1[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCN1c1ccccc1Cl ZINC000542135396 939725139 /nfs/dbraw/zinc/72/51/39/939725139.db2.gz SOWZIHSTOHUNNR-OAQYLSRUSA-N 2 2 400.954 4.224 20 0 HIADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542328825 939801315 /nfs/dbraw/zinc/80/13/15/939801315.db2.gz MJIGJKPXGFDTGT-GOTSBHOMSA-N 2 2 420.601 4.274 20 0 HIADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542328825 939801318 /nfs/dbraw/zinc/80/13/18/939801318.db2.gz MJIGJKPXGFDTGT-GOTSBHOMSA-N 2 2 420.601 4.274 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000542353795 939806093 /nfs/dbraw/zinc/80/60/93/939806093.db2.gz JWWNFLVEMXUXFS-RBBKRZOGSA-N 2 2 424.589 4.348 20 0 HIADLP C[C@H]([NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529071 939837655 /nfs/dbraw/zinc/83/76/55/939837655.db2.gz LUKYSPUMCNIUBJ-OPHFCASCSA-N 2 2 405.586 4.287 20 0 HIADLP C[C@H]([NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529071 939837656 /nfs/dbraw/zinc/83/76/56/939837656.db2.gz LUKYSPUMCNIUBJ-OPHFCASCSA-N 2 2 405.586 4.287 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000543036060 939899644 /nfs/dbraw/zinc/89/96/44/939899644.db2.gz MDROYYJPQQRMOP-HSZRJFAPSA-N 2 2 411.594 4.168 20 0 HIADLP C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543059859 939913713 /nfs/dbraw/zinc/91/37/13/939913713.db2.gz KDNOQUVFPWNYTL-HNNXBMFYSA-N 2 2 415.538 4.151 20 0 HIADLP CCN(C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000543060850 939914317 /nfs/dbraw/zinc/91/43/17/939914317.db2.gz NIOUSMVAHLWBPD-LJQANCHMSA-N 2 2 400.542 4.124 20 0 HIADLP O=C1[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000543061596 939916312 /nfs/dbraw/zinc/91/63/12/939916312.db2.gz USVBKIFXJGEOJK-HXUWFJFHSA-N 2 2 420.479 4.200 20 0 HIADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543268081 940013094 /nfs/dbraw/zinc/01/30/94/940013094.db2.gz MWNODGJRESGFAL-ISKFKSNPSA-N 2 2 420.601 4.447 20 0 HIADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC1 ZINC000543423799 940060126 /nfs/dbraw/zinc/06/01/26/940060126.db2.gz ABZRUXGZMYIFQV-NXCFDTQHSA-N 2 2 419.544 4.431 20 0 HIADLP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000543965923 940274843 /nfs/dbraw/zinc/27/48/43/940274843.db2.gz ROYJMRCTXMHKQD-UHFFFAOYSA-N 2 2 423.605 4.058 20 0 HIADLP Nc1nc(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nc2sc3c(c21)CCCC3 ZINC000543990123 940286070 /nfs/dbraw/zinc/28/60/70/940286070.db2.gz PWHWBQUUEOIVDO-UHFFFAOYSA-N 2 2 424.618 4.084 20 0 HIADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC000544183044 940346641 /nfs/dbraw/zinc/34/66/41/940346641.db2.gz DCYMNHWJZVJNTC-UHFFFAOYSA-N 2 2 404.345 4.316 20 0 HIADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC000544183044 940346646 /nfs/dbraw/zinc/34/66/46/940346646.db2.gz DCYMNHWJZVJNTC-UHFFFAOYSA-N 2 2 404.345 4.316 20 0 HIADLP CC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1OCC(=O)N1CCCC1 ZINC000544189169 940348357 /nfs/dbraw/zinc/34/83/57/940348357.db2.gz LLGCGBMSULGJQO-NRFANRHFSA-N 2 2 424.570 4.176 20 0 HIADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000544287533 940380087 /nfs/dbraw/zinc/38/00/87/940380087.db2.gz WKIIQAFJBMUQGV-PTUXOGIPSA-N 2 2 420.601 4.272 20 0 HIADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000544287533 940380092 /nfs/dbraw/zinc/38/00/92/940380092.db2.gz WKIIQAFJBMUQGV-PTUXOGIPSA-N 2 2 420.601 4.272 20 0 HIADLP CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+](C)C)cc1 ZINC000564030240 945358161 /nfs/dbraw/zinc/35/81/61/945358161.db2.gz VJCNIHBGHNAWDJ-OFNKIYASSA-N 2 2 410.606 4.256 20 0 HIADLP CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+](C)C)cc1 ZINC000564030240 945358176 /nfs/dbraw/zinc/35/81/76/945358176.db2.gz VJCNIHBGHNAWDJ-OFNKIYASSA-N 2 2 410.606 4.256 20 0 HIADLP C[C@H]1C[NH+](Cc2ccc(-c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)cc2)C[C@H](C)O1 ZINC000547109961 941000312 /nfs/dbraw/zinc/00/03/12/941000312.db2.gz RCWWEUYVGBYZOY-ROUUACIJSA-N 2 2 415.497 4.199 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548931711 941130239 /nfs/dbraw/zinc/13/02/39/941130239.db2.gz YFAZDMYBWIHCRA-WMZHIEFXSA-N 2 2 411.565 4.235 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548931711 941130240 /nfs/dbraw/zinc/13/02/40/941130240.db2.gz YFAZDMYBWIHCRA-WMZHIEFXSA-N 2 2 411.565 4.235 20 0 HIADLP c1[nH]c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)nc1-c1ccccc1 ZINC000550262408 941305372 /nfs/dbraw/zinc/30/53/72/941305372.db2.gz GBIVSSZKGGZJLH-QHCPKHFHSA-N 2 2 416.569 4.095 20 0 HIADLP c1[nH]c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)nc1-c1ccccc1 ZINC000550262408 941305374 /nfs/dbraw/zinc/30/53/74/941305374.db2.gz GBIVSSZKGGZJLH-QHCPKHFHSA-N 2 2 416.569 4.095 20 0 HIADLP CC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc(C(=O)OC)cc1 ZINC000551051611 941401365 /nfs/dbraw/zinc/40/13/65/941401365.db2.gz SLXYVEIFJLQZMQ-XXBNENTESA-N 2 2 410.558 4.414 20 0 HIADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000552047298 941573327 /nfs/dbraw/zinc/57/33/27/941573327.db2.gz HFBQVOVPGOGQHT-HSZRJFAPSA-N 2 2 402.473 4.489 20 0 HIADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1OC1CCCC1 ZINC000552536525 941700978 /nfs/dbraw/zinc/70/09/78/941700978.db2.gz IGXSXSSAHBNHKE-XXBNENTESA-N 2 2 409.574 4.412 20 0 HIADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1OC1CCCC1 ZINC000552536525 941700980 /nfs/dbraw/zinc/70/09/80/941700980.db2.gz IGXSXSSAHBNHKE-XXBNENTESA-N 2 2 409.574 4.412 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000553004147 941814229 /nfs/dbraw/zinc/81/42/29/941814229.db2.gz KVALWYDJQOINFH-WTOYTKOKSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000553004147 941814233 /nfs/dbraw/zinc/81/42/33/941814233.db2.gz KVALWYDJQOINFH-WTOYTKOKSA-N 2 2 421.029 4.380 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(Cl)cc1 ZINC000553027003 941819639 /nfs/dbraw/zinc/81/96/39/941819639.db2.gz LEYGOZOGBCFQSB-LAUBAEHRSA-N 2 2 416.997 4.491 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(Cl)cc1 ZINC000553027003 941819642 /nfs/dbraw/zinc/81/96/42/941819642.db2.gz LEYGOZOGBCFQSB-LAUBAEHRSA-N 2 2 416.997 4.491 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(Cl)cc1 ZINC000553027003 941819643 /nfs/dbraw/zinc/81/96/43/941819643.db2.gz LEYGOZOGBCFQSB-LAUBAEHRSA-N 2 2 416.997 4.491 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(Cl)cc1 ZINC000553027003 941819646 /nfs/dbraw/zinc/81/96/46/941819646.db2.gz LEYGOZOGBCFQSB-LAUBAEHRSA-N 2 2 416.997 4.491 20 0 HIADLP Cc1ccc2cccc(NC(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000553614977 941921397 /nfs/dbraw/zinc/92/13/97/941921397.db2.gz DCUIWWKIWIWZBL-DHIUTWEWSA-N 2 2 423.605 4.344 20 0 HIADLP Cc1ccc2cccc(NC(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000553614977 941921401 /nfs/dbraw/zinc/92/14/01/941921401.db2.gz DCUIWWKIWIWZBL-DHIUTWEWSA-N 2 2 423.605 4.344 20 0 HIADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(Br)c1 ZINC000553737360 941955685 /nfs/dbraw/zinc/95/56/85/941955685.db2.gz BQSJJPNCZTYUSV-INIZCTEOSA-N 2 2 419.363 4.141 20 0 HIADLP Cc1cc(OC[C@@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C(C)C)cc1Cl ZINC000554862669 942295255 /nfs/dbraw/zinc/29/52/55/942295255.db2.gz KHLZRPZHCIJQED-IBGZPJMESA-N 2 2 417.981 4.165 20 0 HIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2cnc(SC3CCCC3)nc2)CC1 ZINC000555637338 942683211 /nfs/dbraw/zinc/68/32/11/942683211.db2.gz FCWXMPPAAGAGAF-UHFFFAOYSA-N 2 2 402.530 4.060 20 0 HIADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000555713528 942709846 /nfs/dbraw/zinc/70/98/46/942709846.db2.gz WUFIVMXXRWGJNZ-DXIQSLLYSA-N 2 2 400.588 4.184 20 0 HIADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000555713528 942709859 /nfs/dbraw/zinc/70/98/59/942709859.db2.gz WUFIVMXXRWGJNZ-DXIQSLLYSA-N 2 2 400.588 4.184 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1=O ZINC000556224625 942821462 /nfs/dbraw/zinc/82/14/62/942821462.db2.gz OVHJBTUNTZDUQG-REVPJUDFSA-N 2 2 409.549 4.303 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1=O ZINC000556224625 942821464 /nfs/dbraw/zinc/82/14/64/942821464.db2.gz OVHJBTUNTZDUQG-REVPJUDFSA-N 2 2 409.549 4.303 20 0 HIADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000556240618 942824911 /nfs/dbraw/zinc/82/49/11/942824911.db2.gz PAFDIIKPHYTOSZ-RCSZBHJWSA-N 3 2 421.629 4.310 20 0 HIADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000556240618 942824912 /nfs/dbraw/zinc/82/49/12/942824912.db2.gz PAFDIIKPHYTOSZ-RCSZBHJWSA-N 3 2 421.629 4.310 20 0 HIADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000556240618 942824916 /nfs/dbraw/zinc/82/49/16/942824916.db2.gz PAFDIIKPHYTOSZ-RCSZBHJWSA-N 3 2 421.629 4.310 20 0 HIADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000556240618 942824918 /nfs/dbraw/zinc/82/49/18/942824918.db2.gz PAFDIIKPHYTOSZ-RCSZBHJWSA-N 3 2 421.629 4.310 20 0 HIADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000556499152 942885553 /nfs/dbraw/zinc/88/55/53/942885553.db2.gz AARMUDJQAQHXAT-UBFVSLLYSA-N 2 2 412.549 4.269 20 0 HIADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000556499152 942885561 /nfs/dbraw/zinc/88/55/61/942885561.db2.gz AARMUDJQAQHXAT-UBFVSLLYSA-N 2 2 412.549 4.269 20 0 HIADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000556499152 942885563 /nfs/dbraw/zinc/88/55/63/942885563.db2.gz AARMUDJQAQHXAT-UBFVSLLYSA-N 2 2 412.549 4.269 20 0 HIADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000556499152 942885568 /nfs/dbraw/zinc/88/55/68/942885568.db2.gz AARMUDJQAQHXAT-UBFVSLLYSA-N 2 2 412.549 4.269 20 0 HIADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000556601674 942911323 /nfs/dbraw/zinc/91/13/23/942911323.db2.gz RSGLILFVYBAIGT-LJQANCHMSA-N 2 2 405.011 4.065 20 0 HIADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000556601674 942911325 /nfs/dbraw/zinc/91/13/25/942911325.db2.gz RSGLILFVYBAIGT-LJQANCHMSA-N 2 2 405.011 4.065 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000556914635 942963938 /nfs/dbraw/zinc/96/39/38/942963938.db2.gz LTRIOFOWZKDADL-YKSBVNFPSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000556914635 942963947 /nfs/dbraw/zinc/96/39/47/942963947.db2.gz LTRIOFOWZKDADL-YKSBVNFPSA-N 2 2 402.542 4.056 20 0 HIADLP Fc1cccc([C@H]2CC[N@H+](CC3(C[NH+]4CC[C@@H](c5cccc(F)c5)C4)COC3)C2)c1 ZINC000557940387 943335517 /nfs/dbraw/zinc/33/55/17/943335517.db2.gz NGCGFESFEJTZRJ-SZPZYZBQSA-N 2 2 412.524 4.260 20 0 HIADLP Fc1cccc([C@H]2CC[N@@H+](CC3(C[NH+]4CC[C@@H](c5cccc(F)c5)C4)COC3)C2)c1 ZINC000557940387 943335519 /nfs/dbraw/zinc/33/55/19/943335519.db2.gz NGCGFESFEJTZRJ-SZPZYZBQSA-N 2 2 412.524 4.260 20 0 HIADLP Fc1cccc([C@H]2CC[NH+](CC3(C[N@@H+]4CC[C@@H](c5cccc(F)c5)C4)COC3)C2)c1 ZINC000557940387 943335520 /nfs/dbraw/zinc/33/55/20/943335520.db2.gz NGCGFESFEJTZRJ-SZPZYZBQSA-N 2 2 412.524 4.260 20 0 HIADLP Fc1cccc([C@H]2CC[NH+](CC3(C[N@H+]4CC[C@@H](c5cccc(F)c5)C4)COC3)C2)c1 ZINC000557940387 943335523 /nfs/dbraw/zinc/33/55/23/943335523.db2.gz NGCGFESFEJTZRJ-SZPZYZBQSA-N 2 2 412.524 4.260 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ncc(CSC)s2)CC1 ZINC000559260346 943886716 /nfs/dbraw/zinc/88/67/16/943886716.db2.gz YRHPCAQFCZWKQP-OAHLLOKOSA-N 2 2 408.612 4.138 20 0 HIADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[C@H](C)O1 ZINC000564733127 945742192 /nfs/dbraw/zinc/74/21/92/945742192.db2.gz LVGNPRMYOFYJAZ-IYBDPMFKSA-N 2 2 401.378 4.084 20 0 HIADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[C@H](C)O1 ZINC000564733127 945742200 /nfs/dbraw/zinc/74/22/00/945742200.db2.gz LVGNPRMYOFYJAZ-IYBDPMFKSA-N 2 2 401.378 4.084 20 0 HIADLP CCCOc1c(Br)cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OCC ZINC000567282089 946290596 /nfs/dbraw/zinc/29/05/96/946290596.db2.gz CKPCYYWGWZRBQF-INIZCTEOSA-N 2 2 422.367 4.360 20 0 HIADLP CCCOc1c(Br)cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OCC ZINC000567282089 946290612 /nfs/dbraw/zinc/29/06/12/946290612.db2.gz CKPCYYWGWZRBQF-INIZCTEOSA-N 2 2 422.367 4.360 20 0 HIADLP O[C@]1(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000569993200 947064021 /nfs/dbraw/zinc/06/40/21/947064021.db2.gz DMSMIFGWWVXGRP-QFIPXVFZSA-N 2 2 413.974 4.190 20 0 HIADLP O[C@]1(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000569993200 947064028 /nfs/dbraw/zinc/06/40/28/947064028.db2.gz DMSMIFGWWVXGRP-QFIPXVFZSA-N 2 2 413.974 4.190 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000571329649 947599256 /nfs/dbraw/zinc/59/92/56/947599256.db2.gz CUZCHFHESSQFNJ-ZDUSSCGKSA-N 2 2 412.481 4.047 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000571930217 947814858 /nfs/dbraw/zinc/81/48/58/947814858.db2.gz NNFDBSKWSWPFNT-LPHOPBHVSA-N 2 2 413.363 4.240 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CC[N@H+]1Cc1ccccc1 ZINC000571930217 947814862 /nfs/dbraw/zinc/81/48/62/947814862.db2.gz NNFDBSKWSWPFNT-LPHOPBHVSA-N 2 2 413.363 4.240 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2c(F)cccc2OC(F)F)CC1 ZINC000575452667 948669244 /nfs/dbraw/zinc/66/92/44/948669244.db2.gz NDVIOYFTBYOXBM-UHFFFAOYSA-N 2 2 413.871 4.122 20 0 HIADLP COc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)[nH+]c2ccccc21 ZINC001164670297 719517332 /nfs/dbraw/zinc/51/73/32/719517332.db2.gz CRXHBKMVDAIMNU-UHFFFAOYSA-N 2 2 421.516 4.254 20 0 HIADLP COc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)[nH+]c2ccccc21 ZINC001164670297 719517335 /nfs/dbraw/zinc/51/73/35/719517335.db2.gz CRXHBKMVDAIMNU-UHFFFAOYSA-N 2 2 421.516 4.254 20 0 HIADLP COc1ccc2c(cc[nH+]c2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164694629 719888997 /nfs/dbraw/zinc/88/89/97/719888997.db2.gz BGPBBYVMAVESMM-UHFFFAOYSA-N 2 2 409.555 4.176 20 0 HIADLP COc1ccc2c(cc[nH+]c2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164694629 719888998 /nfs/dbraw/zinc/88/89/98/719888998.db2.gz BGPBBYVMAVESMM-UHFFFAOYSA-N 2 2 409.555 4.176 20 0 HIADLP COc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH+]c2ccccc21 ZINC001164696956 719896384 /nfs/dbraw/zinc/89/63/84/719896384.db2.gz IPYMJOLNANNBFK-UHFFFAOYSA-N 2 2 409.555 4.176 20 0 HIADLP COc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]c2ccccc21 ZINC001164696956 719896386 /nfs/dbraw/zinc/89/63/86/719896386.db2.gz IPYMJOLNANNBFK-UHFFFAOYSA-N 2 2 409.555 4.176 20 0 HIADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH+]c2c1 ZINC001164834683 720565307 /nfs/dbraw/zinc/56/53/07/720565307.db2.gz FRKKJKWSSUPHBZ-YOSAUDMPSA-N 2 2 419.573 4.126 20 0 HIADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH+]c2c1 ZINC001164834683 720565329 /nfs/dbraw/zinc/56/53/29/720565329.db2.gz FRKKJKWSSUPHBZ-YOSAUDMPSA-N 2 2 419.573 4.126 20 0 HIADLP CC(C)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c1 ZINC001164757447 720893438 /nfs/dbraw/zinc/89/34/38/720893438.db2.gz UTGUZOYVDNPHFY-AHWVRZQESA-N 2 2 420.601 4.355 20 0 HIADLP CC(C)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)[nH+]c1 ZINC001164757447 720893439 /nfs/dbraw/zinc/89/34/39/720893439.db2.gz UTGUZOYVDNPHFY-AHWVRZQESA-N 2 2 420.601 4.355 20 0 HIADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]c(C)cc(Cl)c1C)CC2 ZINC001164785712 721461374 /nfs/dbraw/zinc/46/13/74/721461374.db2.gz NACADXBGYQIXQY-HXUWFJFHSA-N 2 2 422.013 4.086 20 0 HIADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]c(C)cc(Cl)c1C)CC2 ZINC001164785712 721461376 /nfs/dbraw/zinc/46/13/76/721461376.db2.gz NACADXBGYQIXQY-HXUWFJFHSA-N 2 2 422.013 4.086 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000030556018 847735189 /nfs/dbraw/zinc/73/51/89/847735189.db2.gz IJEDLLIVQTVARN-QGZVFWFLSA-N 2 2 400.592 4.469 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000030556018 847735197 /nfs/dbraw/zinc/73/51/97/847735197.db2.gz IJEDLLIVQTVARN-QGZVFWFLSA-N 2 2 400.592 4.469 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000030558131 847736287 /nfs/dbraw/zinc/73/62/87/847736287.db2.gz KNDGWCGXOHHYRO-UHFFFAOYSA-N 2 2 400.592 4.469 20 0 HIADLP COc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1OCc1cccnc1 ZINC000030901856 847795448 /nfs/dbraw/zinc/79/54/48/847795448.db2.gz KHFKTYCKBYMSIN-UHFFFAOYSA-N 2 2 414.509 4.204 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+]C1CC[NH+](CC)CC1 ZINC000037976750 848175189 /nfs/dbraw/zinc/17/51/89/848175189.db2.gz OJTNLRLMWSKXOU-UHFFFAOYSA-N 2 2 420.189 4.184 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000046343268 848827767 /nfs/dbraw/zinc/82/77/67/848827767.db2.gz CZPFXKKWGHZWOW-WOJBJXKFSA-N 2 2 409.574 4.390 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2csc(-c3ccccn3)n2)C[C@H](C)O1 ZINC000048816806 849270602 /nfs/dbraw/zinc/27/06/02/849270602.db2.gz RMPLBROQCVVFFS-HDICACEKSA-N 2 2 408.571 4.104 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2csc(-c3ccccn3)n2)C[C@H](C)O1 ZINC000048816806 849270606 /nfs/dbraw/zinc/27/06/06/849270606.db2.gz RMPLBROQCVVFFS-HDICACEKSA-N 2 2 408.571 4.104 20 0 HIADLP Cc1ccc(Nc2ccccc2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050800395 849411809 /nfs/dbraw/zinc/41/18/09/849411809.db2.gz SIEREFOLKBKFKQ-UHFFFAOYSA-N 2 2 406.574 4.027 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(Nc3nc4ccccc4c(-c4ccccc4)n3)CC2)CC1 ZINC000050954525 849421845 /nfs/dbraw/zinc/42/18/45/849421845.db2.gz DUIWCCLQVHXROX-UHFFFAOYSA-N 2 2 401.558 4.267 20 0 HIADLP CCCCCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759519 849513528 /nfs/dbraw/zinc/51/35/28/849513528.db2.gz FFKSQUWKSJWDQX-UHFFFAOYSA-N 2 2 418.601 4.086 20 0 HIADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056764311 850471905 /nfs/dbraw/zinc/47/19/05/850471905.db2.gz NNBWAGQLULYAJV-UHFFFAOYSA-N 2 2 407.562 4.032 20 0 HIADLP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058804417 850932745 /nfs/dbraw/zinc/93/27/45/850932745.db2.gz HUYZIWWMGDVWJF-QHCPKHFHSA-N 2 2 409.599 4.401 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(Cl)ccc3OC(F)F)cc2)CC1 ZINC000061070037 851287538 /nfs/dbraw/zinc/28/75/38/851287538.db2.gz LMYDCVGRKHIOOZ-UHFFFAOYSA-N 2 2 423.935 4.369 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Br)cc3F)cc2)CC1 ZINC000061070176 851287705 /nfs/dbraw/zinc/28/77/05/851287705.db2.gz HVKQWXDGDSBYMF-UHFFFAOYSA-N 2 2 420.370 4.016 20 0 HIADLP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000066048004 852365558 /nfs/dbraw/zinc/36/55/58/852365558.db2.gz VQBZGKDUTSOEHW-OAQYLSRUSA-N 2 2 419.491 4.089 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000071960461 852447145 /nfs/dbraw/zinc/44/71/45/852447145.db2.gz IAWJXTBSPCUARP-OYRHEFFESA-N 2 2 416.569 4.339 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000071960461 852447152 /nfs/dbraw/zinc/44/71/52/852447152.db2.gz IAWJXTBSPCUARP-OYRHEFFESA-N 2 2 416.569 4.339 20 0 HIADLP CC(=O)N(c1nc(C[NH2+]CCCn2cc[nH+]c2)cs1)c1ccc(C(F)(F)F)cc1 ZINC000236727228 853916524 /nfs/dbraw/zinc/91/65/24/853916524.db2.gz GVIBBPVVIHFFRI-UHFFFAOYSA-N 2 2 423.464 4.223 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)[nH+]1 ZINC000236748754 853918535 /nfs/dbraw/zinc/91/85/35/853918535.db2.gz RSVWLBSQKWPJFE-UHFFFAOYSA-N 2 2 418.522 4.116 20 0 HIADLP CCOc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1OCC(F)(F)F ZINC000236869935 853931057 /nfs/dbraw/zinc/93/10/57/853931057.db2.gz LPZKQWJDPNDLSP-UHFFFAOYSA-N 2 2 420.435 4.205 20 0 HIADLP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1)c1ccccc1 ZINC000236964157 853943163 /nfs/dbraw/zinc/94/31/63/853943163.db2.gz WJNDYKUFDWNGBQ-XMMPIXPASA-N 2 2 402.542 4.147 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000236984206 853947617 /nfs/dbraw/zinc/94/76/17/853947617.db2.gz ZEOIZOKJJSEVDL-HNNXBMFYSA-N 2 2 420.916 4.380 20 0 HIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000237063637 853958676 /nfs/dbraw/zinc/95/86/76/853958676.db2.gz JVAAZHYBUCCQCZ-UHFFFAOYSA-N 2 2 400.929 4.384 20 0 HIADLP CCOc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OCC(F)(F)F ZINC000237082354 853962287 /nfs/dbraw/zinc/96/22/87/853962287.db2.gz PLFFMAMLHKHSHF-UHFFFAOYSA-N 2 2 409.452 4.180 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000237403797 854024633 /nfs/dbraw/zinc/02/46/33/854024633.db2.gz VRFKOHMHIQXIEM-LJQANCHMSA-N 2 2 401.514 4.170 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)CC2)CC1 ZINC000303016680 854725252 /nfs/dbraw/zinc/72/52/52/854725252.db2.gz KUAHRTJWERSVKR-XMMPIXPASA-N 2 2 423.626 4.195 20 0 HIADLP COc1cc2c(cc1NC(=O)C[NH+]1CCC(C[NH+]3CCCC3)CC1)oc1ccccc12 ZINC000303217053 854821309 /nfs/dbraw/zinc/82/13/09/854821309.db2.gz UAVBTJMNZDBKNX-UHFFFAOYSA-N 2 2 421.541 4.341 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303495058 854984047 /nfs/dbraw/zinc/98/40/47/854984047.db2.gz QMYSODQOQSQQHB-LJQANCHMSA-N 2 2 402.542 4.440 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303495058 854984053 /nfs/dbraw/zinc/98/40/53/854984053.db2.gz QMYSODQOQSQQHB-LJQANCHMSA-N 2 2 402.542 4.440 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)([NH+]2CCCCC2)CC1 ZINC000303979940 855333930 /nfs/dbraw/zinc/33/39/30/855333930.db2.gz XAGGUOAZHCUSFB-MSOLQXFVSA-N 2 2 424.416 4.163 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379654762 855425806 /nfs/dbraw/zinc/42/58/06/855425806.db2.gz JMVVKDCKZIEQJL-VQIMIIECSA-N 2 2 416.363 4.030 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)CC[N@H+]1Cc1ccccc1 ZINC000379654762 855425808 /nfs/dbraw/zinc/42/58/08/855425808.db2.gz JMVVKDCKZIEQJL-VQIMIIECSA-N 2 2 416.363 4.030 20 0 HIADLP COc1ccc(Br)c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000381350728 855430535 /nfs/dbraw/zinc/43/05/35/855430535.db2.gz MPKRXXPMHJBNJC-FUHWJXTLSA-N 2 2 403.364 4.458 20 0 HIADLP COc1ccc(Br)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381350728 855430538 /nfs/dbraw/zinc/43/05/38/855430538.db2.gz MPKRXXPMHJBNJC-FUHWJXTLSA-N 2 2 403.364 4.458 20 0 HIADLP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1Br ZINC000390860899 855457616 /nfs/dbraw/zinc/45/76/16/855457616.db2.gz LGVYNVBHDYDXOD-FQEVSTJZSA-N 2 2 403.364 4.138 20 0 HIADLP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1Br ZINC000390860899 855457621 /nfs/dbraw/zinc/45/76/21/855457621.db2.gz LGVYNVBHDYDXOD-FQEVSTJZSA-N 2 2 403.364 4.138 20 0 HIADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1SC ZINC000429445420 857673660 /nfs/dbraw/zinc/67/36/60/857673660.db2.gz PKFQNTBOOKHNGS-RXVVDRJESA-N 2 2 400.588 4.359 20 0 HIADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1SC ZINC000429445420 857673668 /nfs/dbraw/zinc/67/36/68/857673668.db2.gz PKFQNTBOOKHNGS-RXVVDRJESA-N 2 2 400.588 4.359 20 0 HIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1SC ZINC000429445414 857673847 /nfs/dbraw/zinc/67/38/47/857673847.db2.gz PKFQNTBOOKHNGS-GHTZIAJQSA-N 2 2 400.588 4.359 20 0 HIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1SC ZINC000429445414 857673850 /nfs/dbraw/zinc/67/38/50/857673850.db2.gz PKFQNTBOOKHNGS-GHTZIAJQSA-N 2 2 400.588 4.359 20 0 HIADLP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429528366 857720792 /nfs/dbraw/zinc/72/07/92/857720792.db2.gz MIAVYGDMKUARRY-XMMPIXPASA-N 2 2 423.601 4.030 20 0 HIADLP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429528366 857720804 /nfs/dbraw/zinc/72/08/04/857720804.db2.gz MIAVYGDMKUARRY-XMMPIXPASA-N 2 2 423.601 4.030 20 0 HIADLP c1ccc(C[N@H+](CC2CCOCC2)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000429681731 857832683 /nfs/dbraw/zinc/83/26/83/857832683.db2.gz LFTBGAQMTSPBPN-AREMUKBSSA-N 2 2 408.586 4.206 20 0 HIADLP c1ccc(C[N@@H+](CC2CCOCC2)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000429681731 857832684 /nfs/dbraw/zinc/83/26/84/857832684.db2.gz LFTBGAQMTSPBPN-AREMUKBSSA-N 2 2 408.586 4.206 20 0 HIADLP c1ccc(C[NH+](CC2CCOCC2)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429681731 857832687 /nfs/dbraw/zinc/83/26/87/857832687.db2.gz LFTBGAQMTSPBPN-AREMUKBSSA-N 2 2 408.586 4.206 20 0 HIADLP c1ccc(C[NH+](CC2CCOCC2)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429681731 857832692 /nfs/dbraw/zinc/83/26/92/857832692.db2.gz LFTBGAQMTSPBPN-AREMUKBSSA-N 2 2 408.586 4.206 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)[C@H](C)C1 ZINC000429816751 857894929 /nfs/dbraw/zinc/89/49/29/857894929.db2.gz HEBUZPFULOLDFV-OUOWLKGYSA-N 2 2 413.993 4.208 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)[C@H](C)C1 ZINC000429816751 857894933 /nfs/dbraw/zinc/89/49/33/857894933.db2.gz HEBUZPFULOLDFV-OUOWLKGYSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)[C@H](C)C1 ZINC000429816751 857894936 /nfs/dbraw/zinc/89/49/36/857894936.db2.gz HEBUZPFULOLDFV-OUOWLKGYSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)[C@H](C)C1 ZINC000429816751 857894941 /nfs/dbraw/zinc/89/49/41/857894941.db2.gz HEBUZPFULOLDFV-OUOWLKGYSA-N 2 2 413.993 4.208 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)[C@H](C)C1 ZINC000429816752 857896187 /nfs/dbraw/zinc/89/61/87/857896187.db2.gz HEBUZPFULOLDFV-RVSNTGDXSA-N 2 2 413.993 4.208 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)[C@H](C)C1 ZINC000429816752 857896191 /nfs/dbraw/zinc/89/61/91/857896191.db2.gz HEBUZPFULOLDFV-RVSNTGDXSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)[C@H](C)C1 ZINC000429816752 857896195 /nfs/dbraw/zinc/89/61/95/857896195.db2.gz HEBUZPFULOLDFV-RVSNTGDXSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)[C@H](C)C1 ZINC000429816752 857896203 /nfs/dbraw/zinc/89/62/03/857896203.db2.gz HEBUZPFULOLDFV-RVSNTGDXSA-N 2 2 413.993 4.208 20 0 HIADLP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000431910840 858866577 /nfs/dbraw/zinc/86/65/77/858866577.db2.gz WTAQUMOAWLIMRH-NHCUHLMSSA-N 2 2 414.619 4.014 20 0 HIADLP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000431910840 858866583 /nfs/dbraw/zinc/86/65/83/858866583.db2.gz WTAQUMOAWLIMRH-NHCUHLMSSA-N 2 2 414.619 4.014 20 0 HIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433371905 859661932 /nfs/dbraw/zinc/66/19/32/859661932.db2.gz CIYQFWYAOVJMSG-NQIIRXRSSA-N 2 2 413.537 4.488 20 0 HIADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000433610639 859809162 /nfs/dbraw/zinc/80/91/62/859809162.db2.gz TXGJZGMGYMKAKV-UXHICEINSA-N 2 2 423.001 4.150 20 0 HIADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000433610639 859809170 /nfs/dbraw/zinc/80/91/70/859809170.db2.gz TXGJZGMGYMKAKV-UXHICEINSA-N 2 2 423.001 4.150 20 0 HIADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000434288583 860254750 /nfs/dbraw/zinc/25/47/50/860254750.db2.gz RIQSDLRHYHSJOX-HSZRJFAPSA-N 2 2 410.562 4.067 20 0 HIADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000434288583 860254758 /nfs/dbraw/zinc/25/47/58/860254758.db2.gz RIQSDLRHYHSJOX-HSZRJFAPSA-N 2 2 410.562 4.067 20 0 HIADLP CC[C@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(Cl)cc1 ZINC000434755856 860483255 /nfs/dbraw/zinc/48/32/55/860483255.db2.gz XYXPOBYXAVEZPK-NRFANRHFSA-N 2 2 414.981 4.320 20 0 HIADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000438999958 864455017 /nfs/dbraw/zinc/45/50/17/864455017.db2.gz MVOILEKGPUUURG-GIMINZRKSA-N 2 2 401.576 4.449 20 0 HIADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000438999958 864455021 /nfs/dbraw/zinc/45/50/21/864455021.db2.gz MVOILEKGPUUURG-GIMINZRKSA-N 2 2 401.576 4.449 20 0 HIADLP C[NH+](C)Cc1cccc(CNC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000439049368 864500228 /nfs/dbraw/zinc/50/02/28/864500228.db2.gz DKEAELUKDFFRCE-UHFFFAOYSA-N 2 2 403.530 4.270 20 0 HIADLP CC(C)C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[NH2+][C@H](C)c1ccccc1 ZINC000468030955 881863645 /nfs/dbraw/zinc/86/36/45/881863645.db2.gz STIXLJHDVQGEIM-NFBKMPQASA-N 2 2 423.605 4.247 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000440787637 865911473 /nfs/dbraw/zinc/91/14/73/865911473.db2.gz WMLIGHWQTFSXFG-NTKDMRAZSA-N 2 2 400.526 4.230 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000440787637 865911504 /nfs/dbraw/zinc/91/15/04/865911504.db2.gz WMLIGHWQTFSXFG-NTKDMRAZSA-N 2 2 400.526 4.230 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000440815231 865932714 /nfs/dbraw/zinc/93/27/14/865932714.db2.gz HSVCAJLRSPONQL-JTHBVZDNSA-N 2 2 411.594 4.195 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000440815231 865932716 /nfs/dbraw/zinc/93/27/16/865932716.db2.gz HSVCAJLRSPONQL-JTHBVZDNSA-N 2 2 411.594 4.195 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)c(C)c1 ZINC000441364838 866434062 /nfs/dbraw/zinc/43/40/62/866434062.db2.gz NRHOZAREEGXIIS-DVECYGJZSA-N 2 2 413.525 4.406 20 0 HIADLP CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441374941 866442986 /nfs/dbraw/zinc/44/29/86/866442986.db2.gz IJNLYUITHMKUPZ-XXBNENTESA-N 2 2 406.530 4.257 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCc2ccc(Cl)cc2)c(C)c1 ZINC000441382039 866454265 /nfs/dbraw/zinc/45/42/65/866454265.db2.gz JQJVKFWMFZCUGX-PGRDOPGGSA-N 2 2 410.949 4.189 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC000441499410 866581433 /nfs/dbraw/zinc/58/14/33/866581433.db2.gz MMGIBOUCVBYFCH-DEOSSOPVSA-N 2 2 423.605 4.338 20 0 HIADLP COc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(OCc2cccnc2)c1 ZINC000443965479 868498039 /nfs/dbraw/zinc/49/80/39/868498039.db2.gz AIELGCUSMIDRIS-UHFFFAOYSA-N 2 2 400.482 4.145 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444795079 869011957 /nfs/dbraw/zinc/01/19/57/869011957.db2.gz LRWUNTZZHIMELE-NFBKMPQASA-N 2 2 418.541 4.378 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444795079 869011965 /nfs/dbraw/zinc/01/19/65/869011965.db2.gz LRWUNTZZHIMELE-NFBKMPQASA-N 2 2 418.541 4.378 20 0 HIADLP CC(C)N(C)c1ccccc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000445767795 869811692 /nfs/dbraw/zinc/81/16/92/869811692.db2.gz UAAGUPSFRQYMGW-UHFFFAOYSA-N 2 2 400.998 4.226 20 0 HIADLP CCCCOc1ccccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000468411143 882354287 /nfs/dbraw/zinc/35/42/87/882354287.db2.gz GJOFSSNUJHHYCU-UHFFFAOYSA-N 3 2 401.639 4.494 20 0 HIADLP CCCCOc1ccccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000468411143 882354306 /nfs/dbraw/zinc/35/43/06/882354306.db2.gz GJOFSSNUJHHYCU-UHFFFAOYSA-N 3 2 401.639 4.494 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)cc1F ZINC000446757132 870667622 /nfs/dbraw/zinc/66/76/22/870667622.db2.gz QXDQRVGNJXHPEM-HNNXBMFYSA-N 2 2 407.327 4.271 20 0 HIADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000446837643 870754865 /nfs/dbraw/zinc/75/48/65/870754865.db2.gz YVZKGCGYLCFEKG-QFIPXVFZSA-N 2 2 413.635 4.059 20 0 HIADLP CC1(C)C[NH+](CC(O)C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC[C@@H]1C(F)(F)F ZINC000447325785 871218422 /nfs/dbraw/zinc/21/84/22/871218422.db2.gz RJCZBRJNCUTMNQ-GJZGRUSLSA-N 2 2 418.466 4.168 20 0 HIADLP CC1(C)C[NH+](CC(O)C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC[C@@H]1C(F)(F)F ZINC000447325785 871218457 /nfs/dbraw/zinc/21/84/57/871218457.db2.gz RJCZBRJNCUTMNQ-GJZGRUSLSA-N 2 2 418.466 4.168 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447683791 871616133 /nfs/dbraw/zinc/61/61/33/871616133.db2.gz TZHIRPNHFMAQQL-UHFFFAOYSA-N 2 2 406.530 4.047 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1 ZINC000460484073 873171366 /nfs/dbraw/zinc/17/13/66/873171366.db2.gz VRSXIDCKCURJOY-SFHVURJKSA-N 2 2 418.545 4.045 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000460486056 873172760 /nfs/dbraw/zinc/17/27/60/873172760.db2.gz FLLQOKJTVILKAC-VQTJNVASSA-N 2 2 424.416 4.163 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000460485494 873172867 /nfs/dbraw/zinc/17/28/67/873172867.db2.gz BCLIJCIDVZJPOL-ZEQRLZLVSA-N 2 2 405.586 4.010 20 0 HIADLP CN(c1ccccc1C[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000468673925 882803667 /nfs/dbraw/zinc/80/36/67/882803667.db2.gz HRYLROLLEYUYBL-DEOSSOPVSA-N 2 2 413.993 4.444 20 0 HIADLP CN(c1ccccc1C[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1)C1CC[NH+](C)CC1 ZINC000468673925 882803668 /nfs/dbraw/zinc/80/36/68/882803668.db2.gz HRYLROLLEYUYBL-DEOSSOPVSA-N 2 2 413.993 4.444 20 0 HIADLP Cc1c([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cnn1C(C)(C)C ZINC000468828196 882879721 /nfs/dbraw/zinc/87/97/21/882879721.db2.gz FBVFLEGINIVPSM-OAQYLSRUSA-N 2 2 411.638 4.195 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(OC(C)(C)C)cc1 ZINC000463006507 876022191 /nfs/dbraw/zinc/02/21/91/876022191.db2.gz DXXMKVGYYDVUEW-FQEVSTJZSA-N 2 2 412.574 4.426 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N2CCCC2)c1 ZINC000463139454 876190421 /nfs/dbraw/zinc/19/04/21/876190421.db2.gz GYDRXIFBMYBQIX-QQSVUBKYSA-N 2 2 407.602 4.475 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N2CCCC2)c1 ZINC000463139454 876190431 /nfs/dbraw/zinc/19/04/31/876190431.db2.gz GYDRXIFBMYBQIX-QQSVUBKYSA-N 2 2 407.602 4.475 20 0 HIADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(OC[C@H]2CCOC2)c1 ZINC000463190618 876250088 /nfs/dbraw/zinc/25/00/88/876250088.db2.gz JPTQXSSYMVXGSM-QHCPKHFHSA-N 2 2 408.586 4.207 20 0 HIADLP C[NH+](C)C[C@@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc(F)cc1 ZINC000463708943 876828302 /nfs/dbraw/zinc/82/83/02/876828302.db2.gz CPURCDKWSAMITK-JOCHJYFZSA-N 2 2 421.520 4.450 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000463714771 876834814 /nfs/dbraw/zinc/83/48/14/876834814.db2.gz LWCMFIOSMCNLAO-OAQYLSRUSA-N 2 2 407.562 4.272 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000463714771 876834816 /nfs/dbraw/zinc/83/48/16/876834816.db2.gz LWCMFIOSMCNLAO-OAQYLSRUSA-N 2 2 407.562 4.272 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809206 878057940 /nfs/dbraw/zinc/05/79/40/878057940.db2.gz ZGLAYVVJOWNTHI-UHFFFAOYSA-N 2 2 404.917 4.051 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809206 878057960 /nfs/dbraw/zinc/05/79/60/878057960.db2.gz ZGLAYVVJOWNTHI-UHFFFAOYSA-N 2 2 404.917 4.051 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464857827 878138872 /nfs/dbraw/zinc/13/88/72/878138872.db2.gz WDAGNCOIPXMQPU-HJNYFJLDSA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464857827 878138878 /nfs/dbraw/zinc/13/88/78/878138878.db2.gz WDAGNCOIPXMQPU-HJNYFJLDSA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464857827 878138884 /nfs/dbraw/zinc/13/88/84/878138884.db2.gz WDAGNCOIPXMQPU-HJNYFJLDSA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464857827 878138893 /nfs/dbraw/zinc/13/88/93/878138893.db2.gz WDAGNCOIPXMQPU-HJNYFJLDSA-N 2 2 411.615 4.254 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000464990237 878342192 /nfs/dbraw/zinc/34/21/92/878342192.db2.gz XFJLGBIYAQRFRF-UHFFFAOYSA-N 2 2 408.590 4.302 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503372879 912351990 /nfs/dbraw/zinc/35/19/90/912351990.db2.gz HPLFJCWNVOBKFZ-FUHWJXTLSA-N 2 2 407.518 4.219 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503372879 912352008 /nfs/dbraw/zinc/35/20/08/912352008.db2.gz HPLFJCWNVOBKFZ-FUHWJXTLSA-N 2 2 407.518 4.219 20 0 HIADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1cccc(C(F)(F)F)c1 ZINC000503402574 912382784 /nfs/dbraw/zinc/38/27/84/912382784.db2.gz AWILSZYWGHCYLG-INIZCTEOSA-N 2 2 420.479 4.446 20 0 HIADLP O=C(CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1cccc(C(F)(F)F)c1 ZINC000503402574 912382803 /nfs/dbraw/zinc/38/28/03/912382803.db2.gz AWILSZYWGHCYLG-INIZCTEOSA-N 2 2 420.479 4.446 20 0 HIADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccccc1C(F)(F)F ZINC000503410288 912390503 /nfs/dbraw/zinc/39/05/03/912390503.db2.gz MIUZXMLZXRSFJA-INIZCTEOSA-N 2 2 420.479 4.446 20 0 HIADLP O=C(CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccccc1C(F)(F)F ZINC000503410288 912390524 /nfs/dbraw/zinc/39/05/24/912390524.db2.gz MIUZXMLZXRSFJA-INIZCTEOSA-N 2 2 420.479 4.446 20 0 HIADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000465419361 878849574 /nfs/dbraw/zinc/84/95/74/878849574.db2.gz ARNKPWYETJPDCC-FQEVSTJZSA-N 2 2 408.590 4.150 20 0 HIADLP C[NH+]1CCC(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000465550651 879014420 /nfs/dbraw/zinc/01/44/20/879014420.db2.gz VALVNHBWHMTFBC-NRFANRHFSA-N 2 2 400.611 4.023 20 0 HIADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000503441673 912458393 /nfs/dbraw/zinc/45/83/93/912458393.db2.gz HWADZAQTEIBZHJ-UHFFFAOYSA-N 2 2 417.557 4.158 20 0 HIADLP CCN(Cc1ccc2ccccc2c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466136976 879847941 /nfs/dbraw/zinc/84/79/41/879847941.db2.gz GJPISCPUEHQZAC-UHFFFAOYSA-N 2 2 422.617 4.322 20 0 HIADLP Fc1cncc([C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C2CC2)c1 ZINC000467344994 881098406 /nfs/dbraw/zinc/09/84/06/881098406.db2.gz RQWLFWRAXAPKDQ-QFIPXVFZSA-N 2 2 402.945 4.127 20 0 HIADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000469518057 883782845 /nfs/dbraw/zinc/78/28/45/883782845.db2.gz YQGCCLNBTHPITG-HXUWFJFHSA-N 2 2 411.512 4.221 20 0 HIADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000469518057 883782854 /nfs/dbraw/zinc/78/28/54/883782854.db2.gz YQGCCLNBTHPITG-HXUWFJFHSA-N 2 2 411.512 4.221 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000469723658 883887208 /nfs/dbraw/zinc/88/72/08/883887208.db2.gz WVCNCHBJCVNIPC-UHFFFAOYSA-N 2 2 406.574 4.056 20 0 HIADLP CCC(CC)(CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000469763539 883931487 /nfs/dbraw/zinc/93/14/87/883931487.db2.gz IQBZITFAPPHDQY-KNQAVFIVSA-N 2 2 410.562 4.154 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCCC1)c1ccccc1 ZINC000469765192 883933406 /nfs/dbraw/zinc/93/34/06/883933406.db2.gz SBZLHZTYAWDYLK-JAXLGGSGSA-N 2 2 409.578 4.139 20 0 HIADLP C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469764661 883934591 /nfs/dbraw/zinc/93/45/91/883934591.db2.gz QKOVLUVTUYTHKG-NZQKXSOJSA-N 2 2 409.578 4.052 20 0 HIADLP CCC(CC)(CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000469765418 883935374 /nfs/dbraw/zinc/93/53/74/883935374.db2.gz SNCYDTOQVFNTCN-VWPQPMDRSA-N 2 2 411.594 4.385 20 0 HIADLP C[C@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469778094 883953401 /nfs/dbraw/zinc/95/34/01/883953401.db2.gz YPPXUZQBBZMEII-YWZLYKJASA-N 2 2 414.431 4.347 20 0 HIADLP C[C@@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469778093 883953613 /nfs/dbraw/zinc/95/36/13/883953613.db2.gz YPPXUZQBBZMEII-QRWLVFNGSA-N 2 2 414.431 4.347 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000469858783 884045739 /nfs/dbraw/zinc/04/57/39/884045739.db2.gz JBDHGDWYBUIHKF-WHLIWEHUSA-N 2 2 423.605 4.154 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000469858783 884045752 /nfs/dbraw/zinc/04/57/52/884045752.db2.gz JBDHGDWYBUIHKF-WHLIWEHUSA-N 2 2 423.605 4.154 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000469946993 884145439 /nfs/dbraw/zinc/14/54/39/884145439.db2.gz GXDJCDCPLSFRPZ-NRFANRHFSA-N 2 2 410.606 4.027 20 0 HIADLP C[C@@H](N(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000470060126 884310088 /nfs/dbraw/zinc/31/00/88/884310088.db2.gz YPNINZUGISCGBB-HXUWFJFHSA-N 2 2 414.638 4.191 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c1 ZINC000470118783 884379162 /nfs/dbraw/zinc/37/91/62/884379162.db2.gz CAQFSZJIASCOMK-LJQANCHMSA-N 2 2 404.514 4.154 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)c1 ZINC000470118783 884379176 /nfs/dbraw/zinc/37/91/76/884379176.db2.gz CAQFSZJIASCOMK-LJQANCHMSA-N 2 2 404.514 4.154 20 0 HIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465939 887325482 /nfs/dbraw/zinc/32/54/82/887325482.db2.gz UHNWEXOGTBEMIG-URXFXBBRSA-N 2 2 411.634 4.311 20 0 HIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465939 887325499 /nfs/dbraw/zinc/32/54/99/887325499.db2.gz UHNWEXOGTBEMIG-URXFXBBRSA-N 2 2 411.634 4.311 20 0 HIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465939 887325514 /nfs/dbraw/zinc/32/55/14/887325514.db2.gz UHNWEXOGTBEMIG-URXFXBBRSA-N 2 2 411.634 4.311 20 0 HIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465939 887325528 /nfs/dbraw/zinc/32/55/28/887325528.db2.gz UHNWEXOGTBEMIG-URXFXBBRSA-N 2 2 411.634 4.311 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000472776174 887622172 /nfs/dbraw/zinc/62/21/72/887622172.db2.gz WKOBKPXWUGEEAQ-NBHGPNQESA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000472776174 887622175 /nfs/dbraw/zinc/62/21/75/887622175.db2.gz WKOBKPXWUGEEAQ-NBHGPNQESA-N 2 2 408.464 4.119 20 0 HIADLP CCOC(=O)c1coc(C[N@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000474265291 889127653 /nfs/dbraw/zinc/12/76/53/889127653.db2.gz GRQJYMDVAUNMLA-UHFFFAOYSA-N 2 2 414.550 4.169 20 0 HIADLP CCOC(=O)c1coc(C[N@@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000474265291 889127662 /nfs/dbraw/zinc/12/76/62/889127662.db2.gz GRQJYMDVAUNMLA-UHFFFAOYSA-N 2 2 414.550 4.169 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000474510296 889373788 /nfs/dbraw/zinc/37/37/88/889373788.db2.gz JXJDPQUZVUXFSR-OALUTQOASA-N 2 2 424.589 4.005 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000474904221 889764431 /nfs/dbraw/zinc/76/44/31/889764431.db2.gz ARAVVMXIRWQLLP-ZCNNSNEGSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000474904221 889764439 /nfs/dbraw/zinc/76/44/39/889764439.db2.gz ARAVVMXIRWQLLP-ZCNNSNEGSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000474904221 889764447 /nfs/dbraw/zinc/76/44/47/889764447.db2.gz ARAVVMXIRWQLLP-ZCNNSNEGSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000474904221 889764458 /nfs/dbraw/zinc/76/44/58/889764458.db2.gz ARAVVMXIRWQLLP-ZCNNSNEGSA-N 2 2 422.617 4.432 20 0 HIADLP Fc1ccc(N2CCC([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)CC2)c(F)c1 ZINC000475348860 890272739 /nfs/dbraw/zinc/27/27/39/890272739.db2.gz FNGGIUNSDJIPNL-UHFFFAOYSA-N 2 2 417.466 4.329 20 0 HIADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475350055 890274413 /nfs/dbraw/zinc/27/44/13/890274413.db2.gz BLUIKQPVFIYFEC-VIQWUECVSA-N 2 2 414.512 4.420 20 0 HIADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)c1 ZINC000475357613 890283460 /nfs/dbraw/zinc/28/34/60/890283460.db2.gz VRJAXSMFRRJJKH-IVMQYODDSA-N 2 2 411.512 4.415 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[NH+]3CCCCCC3)cc1)C2 ZINC000475387961 890314242 /nfs/dbraw/zinc/31/42/42/890314242.db2.gz GZXWLQOSNHPAMW-OAQYLSRUSA-N 2 2 408.590 4.330 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[NH+]3CCCCCC3)cc1)CC2 ZINC000475387961 890314260 /nfs/dbraw/zinc/31/42/60/890314260.db2.gz GZXWLQOSNHPAMW-OAQYLSRUSA-N 2 2 408.590 4.330 20 0 HIADLP Brc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Br ZINC000475576678 890506575 /nfs/dbraw/zinc/50/65/75/890506575.db2.gz AZVXHGCYOPBQPV-UHFFFAOYSA-N 2 2 402.174 4.318 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@@H]3C)CC1)C2 ZINC000476310252 891219140 /nfs/dbraw/zinc/21/91/40/891219140.db2.gz CLXPPXWWGMGWOS-ICSRJNTNSA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)C2 ZINC000476310252 891219158 /nfs/dbraw/zinc/21/91/58/891219158.db2.gz CLXPPXWWGMGWOS-ICSRJNTNSA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@@H]3C)CC1)CC2 ZINC000476310252 891219174 /nfs/dbraw/zinc/21/91/74/891219174.db2.gz CLXPPXWWGMGWOS-ICSRJNTNSA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)CC2 ZINC000476310252 891219192 /nfs/dbraw/zinc/21/91/92/891219192.db2.gz CLXPPXWWGMGWOS-ICSRJNTNSA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)OC(=O)Cc1nc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cs1 ZINC000476972952 891900110 /nfs/dbraw/zinc/90/01/10/891900110.db2.gz MROHXXPXVPQKAE-GOSISDBHSA-N 2 2 407.624 4.114 20 0 HIADLP CC(C)OC(=O)Cc1nc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cs1 ZINC000476972952 891900123 /nfs/dbraw/zinc/90/01/23/891900123.db2.gz MROHXXPXVPQKAE-GOSISDBHSA-N 2 2 407.624 4.114 20 0 HIADLP COCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000478314696 893543096 /nfs/dbraw/zinc/54/30/96/893543096.db2.gz NYRXSZNTKRGFJJ-UHFFFAOYSA-N 2 2 404.986 4.024 20 0 HIADLP COCCc1nc(C)c([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000479472482 894794272 /nfs/dbraw/zinc/79/42/72/894794272.db2.gz CJHOFJIEEOJGRA-UWTIGNOOSA-N 2 2 405.530 4.096 20 0 HIADLP COCCOc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000479505163 894820859 /nfs/dbraw/zinc/82/08/59/894820859.db2.gz RKCYOOXONXDFDQ-MNNVXMFVSA-N 2 2 400.485 4.168 20 0 HIADLP C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000480217811 895620493 /nfs/dbraw/zinc/62/04/93/895620493.db2.gz BBXDNHBPOPMCAO-VGSWGCGISA-N 2 2 412.965 4.454 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000480363273 895768899 /nfs/dbraw/zinc/76/88/99/895768899.db2.gz LWICBIHQBVXXIM-UTKZUKDTSA-N 2 2 407.480 4.161 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000480363273 895768917 /nfs/dbraw/zinc/76/89/17/895768917.db2.gz LWICBIHQBVXXIM-UTKZUKDTSA-N 2 2 407.480 4.161 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](Cc4ccccn4)C[C@@H]3C)cc2)C1 ZINC000480603858 895967747 /nfs/dbraw/zinc/96/77/47/895967747.db2.gz CLBIAALPNGHHAI-UFPGJGBJSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](Cc4ccccn4)C[C@@H]3C)cc2)C1 ZINC000480603858 895967751 /nfs/dbraw/zinc/96/77/51/895967751.db2.gz CLBIAALPNGHHAI-UFPGJGBJSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)C1 ZINC000480603858 895967753 /nfs/dbraw/zinc/96/77/53/895967753.db2.gz CLBIAALPNGHHAI-UFPGJGBJSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)C1 ZINC000480603858 895967758 /nfs/dbraw/zinc/96/77/58/895967758.db2.gz CLBIAALPNGHHAI-UFPGJGBJSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccn4)C[C@H]3C)cc2)C1 ZINC000480603861 895967954 /nfs/dbraw/zinc/96/79/54/895967954.db2.gz CLBIAALPNGHHAI-XLGIIRLISA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccn4)C[C@H]3C)cc2)C1 ZINC000480603861 895967961 /nfs/dbraw/zinc/96/79/61/895967961.db2.gz CLBIAALPNGHHAI-XLGIIRLISA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)C1 ZINC000480603861 895967967 /nfs/dbraw/zinc/96/79/67/895967967.db2.gz CLBIAALPNGHHAI-XLGIIRLISA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)C1 ZINC000480603861 895967971 /nfs/dbraw/zinc/96/79/71/895967971.db2.gz CLBIAALPNGHHAI-XLGIIRLISA-N 3 2 406.618 4.314 20 0 HIADLP Cc1cc2cc([C@H](C)[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)oc2cc1C ZINC000480602818 895968400 /nfs/dbraw/zinc/96/84/00/895968400.db2.gz BXZWKFZCLOQYEN-IBGZPJMESA-N 2 2 405.542 4.288 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480726292 896086480 /nfs/dbraw/zinc/08/64/80/896086480.db2.gz GYTLBTZSTUMSCH-LMNJBCLMSA-N 2 2 418.507 4.179 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000480726292 896086493 /nfs/dbraw/zinc/08/64/93/896086493.db2.gz GYTLBTZSTUMSCH-LMNJBCLMSA-N 2 2 418.507 4.179 20 0 HIADLP Fc1cccc(F)c1-c1csc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000480771091 896134502 /nfs/dbraw/zinc/13/45/02/896134502.db2.gz ALZRYOAVKUAXEY-UHFFFAOYSA-N 2 2 407.530 4.023 20 0 HIADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nc(-c4ccccc4Cl)cs3)CC2)CC1 ZINC000480872227 896233675 /nfs/dbraw/zinc/23/36/75/896233675.db2.gz UFOZALJUZQNLQP-UHFFFAOYSA-N 2 2 419.038 4.454 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000481163629 896494912 /nfs/dbraw/zinc/49/49/12/896494912.db2.gz AQHWBUNOJUFLIY-APWZRJJASA-N 2 2 405.464 4.144 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000481163629 896494923 /nfs/dbraw/zinc/49/49/23/896494923.db2.gz AQHWBUNOJUFLIY-APWZRJJASA-N 2 2 405.464 4.144 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481167876 896501925 /nfs/dbraw/zinc/50/19/25/896501925.db2.gz ANTCQYCCHDEBNI-WRALFONMSA-N 2 2 407.602 4.312 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481167876 896501933 /nfs/dbraw/zinc/50/19/33/896501933.db2.gz ANTCQYCCHDEBNI-WRALFONMSA-N 2 2 407.602 4.312 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000481182633 896524847 /nfs/dbraw/zinc/52/48/47/896524847.db2.gz YTQKPAMCWZBRSW-QAPCUYQASA-N 2 2 406.357 4.432 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000481182633 896524858 /nfs/dbraw/zinc/52/48/58/896524858.db2.gz YTQKPAMCWZBRSW-QAPCUYQASA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000481186059 896533038 /nfs/dbraw/zinc/53/30/38/896533038.db2.gz HIKOASCPYRHZPL-VWPQPMDRSA-N 2 2 423.626 4.404 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000481186059 896533053 /nfs/dbraw/zinc/53/30/53/896533053.db2.gz HIKOASCPYRHZPL-VWPQPMDRSA-N 2 2 423.626 4.404 20 0 HIADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1OCc1ccccc1 ZINC000481214145 896568798 /nfs/dbraw/zinc/56/87/98/896568798.db2.gz NIQSHSURZWNOKD-OAQYLSRUSA-N 2 2 416.569 4.263 20 0 HIADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000481217072 896569750 /nfs/dbraw/zinc/56/97/50/896569750.db2.gz DIGLNXARFVTFSA-OAQYLSRUSA-N 2 2 416.997 4.372 20 0 HIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCS2 ZINC000481407663 896813457 /nfs/dbraw/zinc/81/34/57/896813457.db2.gz SGEBWNZNQCYYNX-NRFANRHFSA-N 2 2 418.990 4.378 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(I)cc1 ZINC000481547730 896912725 /nfs/dbraw/zinc/91/27/25/896912725.db2.gz TYNDELRMEKKZIJ-CYBMUJFWSA-N 2 2 421.257 4.467 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(I)cc1 ZINC000481569391 896947877 /nfs/dbraw/zinc/94/78/77/896947877.db2.gz UFZYBZDYDMTZLJ-CQSZACIVSA-N 2 2 403.267 4.328 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481716326 897107629 /nfs/dbraw/zinc/10/76/29/897107629.db2.gz KIMBIONVXDNJRN-ATIYNZHBSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481716326 897107638 /nfs/dbraw/zinc/10/76/38/897107638.db2.gz KIMBIONVXDNJRN-ATIYNZHBSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000482678303 898280528 /nfs/dbraw/zinc/28/05/28/898280528.db2.gz CEWSLDLRAMCJGH-ZACQAIPSSA-N 2 2 418.582 4.226 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000483121928 898808831 /nfs/dbraw/zinc/80/88/31/898808831.db2.gz BIKTXMSOSWGUEU-SFHVURJKSA-N 2 2 409.555 4.439 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000483188861 898848229 /nfs/dbraw/zinc/84/82/29/898848229.db2.gz XRUGPFPPGNCMMH-KKSFZXQISA-N 2 2 420.370 4.416 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000483188861 898848230 /nfs/dbraw/zinc/84/82/30/898848230.db2.gz XRUGPFPPGNCMMH-KKSFZXQISA-N 2 2 420.370 4.416 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000483233251 898877508 /nfs/dbraw/zinc/87/75/08/898877508.db2.gz IRPKOFUYMOAOAG-UONOGXRCSA-N 2 2 420.447 4.041 20 0 HIADLP Cc1cn2cc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc2[nH+]1 ZINC000483320722 898948606 /nfs/dbraw/zinc/94/86/06/898948606.db2.gz HZSHZBIMJRWZSS-RBBKRZOGSA-N 2 2 403.530 4.161 20 0 HIADLP Cc1cn2cc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)ccc2[nH+]1 ZINC000483320722 898948616 /nfs/dbraw/zinc/94/86/16/898948616.db2.gz HZSHZBIMJRWZSS-RBBKRZOGSA-N 2 2 403.530 4.161 20 0 HIADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000483481707 899127125 /nfs/dbraw/zinc/12/71/25/899127125.db2.gz IQHOXHKUCSBPGP-HKUYNNGSSA-N 2 2 401.576 4.134 20 0 HIADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000483481707 899127128 /nfs/dbraw/zinc/12/71/28/899127128.db2.gz IQHOXHKUCSBPGP-HKUYNNGSSA-N 2 2 401.576 4.134 20 0 HIADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cs2)cc1OC ZINC000483481707 899127134 /nfs/dbraw/zinc/12/71/34/899127134.db2.gz IQHOXHKUCSBPGP-HKUYNNGSSA-N 2 2 401.576 4.134 20 0 HIADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cs2)cc1OC ZINC000483481707 899127138 /nfs/dbraw/zinc/12/71/38/899127138.db2.gz IQHOXHKUCSBPGP-HKUYNNGSSA-N 2 2 401.576 4.134 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000483573956 899228022 /nfs/dbraw/zinc/22/80/22/899228022.db2.gz BCBMYUAFWIDAIR-UPVQGACJSA-N 2 2 414.553 4.307 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000483573956 899228039 /nfs/dbraw/zinc/22/80/39/899228039.db2.gz BCBMYUAFWIDAIR-UPVQGACJSA-N 2 2 414.553 4.307 20 0 HIADLP CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccccc3N3CC[NH+](CC)CC3)n2)cc1 ZINC000483646347 899302680 /nfs/dbraw/zinc/30/26/80/899302680.db2.gz CTSHUQPMMVZYHD-IBGZPJMESA-N 2 2 419.573 4.292 20 0 HIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1ccc(Br)cc1 ZINC000483812318 899489635 /nfs/dbraw/zinc/48/96/35/899489635.db2.gz ZCRYEQDQVVLEBM-CBGDNZLLSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1ccc(Br)cc1 ZINC000483812318 899489639 /nfs/dbraw/zinc/48/96/39/899489639.db2.gz ZCRYEQDQVVLEBM-CBGDNZLLSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)s1 ZINC000484145346 899765563 /nfs/dbraw/zinc/76/55/63/899765563.db2.gz WYMTUITVEYCURY-XIRDDKMYSA-N 2 2 409.393 4.044 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)s1 ZINC000484145346 899765570 /nfs/dbraw/zinc/76/55/70/899765570.db2.gz WYMTUITVEYCURY-XIRDDKMYSA-N 2 2 409.393 4.044 20 0 HIADLP Cc1c([C@H](C)[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)nnn1-c1ccccc1 ZINC000484505235 899996576 /nfs/dbraw/zinc/99/65/76/899996576.db2.gz UYLAVYZYRLNADI-AQNXPRMDSA-N 2 2 403.574 4.383 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000485332889 900618541 /nfs/dbraw/zinc/61/85/41/900618541.db2.gz HXAAMAKXZKRURU-SYYKKAFVSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000485332889 900618547 /nfs/dbraw/zinc/61/85/47/900618547.db2.gz HXAAMAKXZKRURU-SYYKKAFVSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000485332889 900618549 /nfs/dbraw/zinc/61/85/49/900618549.db2.gz HXAAMAKXZKRURU-SYYKKAFVSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000485332889 900618556 /nfs/dbraw/zinc/61/85/56/900618556.db2.gz HXAAMAKXZKRURU-SYYKKAFVSA-N 2 2 424.614 4.117 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486829810 901881475 /nfs/dbraw/zinc/88/14/75/901881475.db2.gz YDLWPDWQOHIGSH-SFTDATJTSA-N 2 2 403.929 4.106 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486829810 901881482 /nfs/dbraw/zinc/88/14/82/901881482.db2.gz YDLWPDWQOHIGSH-SFTDATJTSA-N 2 2 403.929 4.106 20 0 HIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnc2ccc(C)cn12 ZINC000506029219 914710698 /nfs/dbraw/zinc/71/06/98/914710698.db2.gz ALUAHXQMRMLPOO-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc2ccc(C)cn12 ZINC000506029219 914710710 /nfs/dbraw/zinc/71/07/10/914710710.db2.gz ALUAHXQMRMLPOO-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c2ccccc2C1 ZINC000490118859 903775647 /nfs/dbraw/zinc/77/56/47/903775647.db2.gz MBKUWHJQGYWGEM-UIOOFZCWSA-N 2 2 405.586 4.152 20 0 HIADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c2ccccc2C1 ZINC000490118859 903775654 /nfs/dbraw/zinc/77/56/54/903775654.db2.gz MBKUWHJQGYWGEM-UIOOFZCWSA-N 2 2 405.586 4.152 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000490157138 903798383 /nfs/dbraw/zinc/79/83/83/903798383.db2.gz LREXCSRYRPZJLL-VXKWHMMOSA-N 2 2 417.956 4.101 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000490157138 903798387 /nfs/dbraw/zinc/79/83/87/903798387.db2.gz LREXCSRYRPZJLL-VXKWHMMOSA-N 2 2 417.956 4.101 20 0 HIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490983460 904350048 /nfs/dbraw/zinc/35/00/48/904350048.db2.gz CPCFWUWXXZSMSU-MBOZVWFJSA-N 2 2 402.970 4.014 20 0 HIADLP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490983460 904350067 /nfs/dbraw/zinc/35/00/67/904350067.db2.gz CPCFWUWXXZSMSU-MBOZVWFJSA-N 2 2 402.970 4.014 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000491285557 904518233 /nfs/dbraw/zinc/51/82/33/904518233.db2.gz UCNODYFAKNBWTG-DENIHFKCSA-N 2 2 402.542 4.295 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000491285557 904518252 /nfs/dbraw/zinc/51/82/52/904518252.db2.gz UCNODYFAKNBWTG-DENIHFKCSA-N 2 2 402.542 4.295 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000491285558 904519138 /nfs/dbraw/zinc/51/91/38/904519138.db2.gz UCNODYFAKNBWTG-KNQAVFIVSA-N 2 2 402.542 4.295 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000491285558 904519151 /nfs/dbraw/zinc/51/91/51/904519151.db2.gz UCNODYFAKNBWTG-KNQAVFIVSA-N 2 2 402.542 4.295 20 0 HIADLP COc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccc(F)cc2)cc1 ZINC000493246589 905065028 /nfs/dbraw/zinc/06/50/28/905065028.db2.gz INIXSFRXYJURJF-IZZNHLLZSA-N 2 2 420.528 4.150 20 0 HIADLP COc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccc(F)cc2)cc1 ZINC000493246589 905065048 /nfs/dbraw/zinc/06/50/48/905065048.db2.gz INIXSFRXYJURJF-IZZNHLLZSA-N 2 2 420.528 4.150 20 0 HIADLP COc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccc(F)cc2)cc1 ZINC000493246588 905065955 /nfs/dbraw/zinc/06/59/55/905065955.db2.gz INIXSFRXYJURJF-FTJBHMTQSA-N 2 2 420.528 4.150 20 0 HIADLP COc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccc(F)cc2)cc1 ZINC000493246588 905065977 /nfs/dbraw/zinc/06/59/77/905065977.db2.gz INIXSFRXYJURJF-FTJBHMTQSA-N 2 2 420.528 4.150 20 0 HIADLP Cc1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000493278065 905076291 /nfs/dbraw/zinc/07/62/91/905076291.db2.gz SIZJDGHYOKUFBY-XMMPIXPASA-N 2 2 423.582 4.283 20 0 HIADLP O=C([C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1)N1CCCCC1 ZINC000493885065 905244499 /nfs/dbraw/zinc/24/44/99/905244499.db2.gz FICIBEKGKCEJRL-OFNKIYASSA-N 2 2 411.615 4.304 20 0 HIADLP O=C([C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1)N1CCCCC1 ZINC000493885065 905244518 /nfs/dbraw/zinc/24/45/18/905244518.db2.gz FICIBEKGKCEJRL-OFNKIYASSA-N 2 2 411.615 4.304 20 0 HIADLP COC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000493961333 905311407 /nfs/dbraw/zinc/31/14/07/905311407.db2.gz PFNULPNVFXTRND-HRAATJIYSA-N 2 2 405.945 4.269 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494163559 905499377 /nfs/dbraw/zinc/49/93/77/905499377.db2.gz KKKZYOGWJFUDFB-FPOVZHCZSA-N 2 2 404.505 4.015 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494163559 905499389 /nfs/dbraw/zinc/49/93/89/905499389.db2.gz KKKZYOGWJFUDFB-FPOVZHCZSA-N 2 2 404.505 4.015 20 0 HIADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494409294 905700244 /nfs/dbraw/zinc/70/02/44/905700244.db2.gz GCLAJYAVHPWJLJ-NRFANRHFSA-N 2 2 401.489 4.288 20 0 HIADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000494999712 906160291 /nfs/dbraw/zinc/16/02/91/906160291.db2.gz SANDQSOCQLXYRS-CRAIPNDOSA-N 2 2 407.345 4.260 20 0 HIADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000494999712 906160301 /nfs/dbraw/zinc/16/03/01/906160301.db2.gz SANDQSOCQLXYRS-CRAIPNDOSA-N 2 2 407.345 4.260 20 0 HIADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000495420815 906440947 /nfs/dbraw/zinc/44/09/47/906440947.db2.gz LJRNEQNGJRPVHR-INIZCTEOSA-N 2 2 408.512 4.420 20 0 HIADLP CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)Nc1cc(C)on1 ZINC000495460610 906465191 /nfs/dbraw/zinc/46/51/91/906465191.db2.gz KMXMYJDGUZPPEB-KBRMVUAJSA-N 2 2 410.562 4.266 20 0 HIADLP CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)Nc1cc(C)on1 ZINC000495460610 906465196 /nfs/dbraw/zinc/46/51/96/906465196.db2.gz KMXMYJDGUZPPEB-KBRMVUAJSA-N 2 2 410.562 4.266 20 0 HIADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000496053293 906604465 /nfs/dbraw/zinc/60/44/65/906604465.db2.gz LPFPDLJLAMMASB-XMMPIXPASA-N 2 2 416.569 4.479 20 0 HIADLP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000496053293 906604471 /nfs/dbraw/zinc/60/44/71/906604471.db2.gz LPFPDLJLAMMASB-XMMPIXPASA-N 2 2 416.569 4.479 20 0 HIADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000512634715 921269063 /nfs/dbraw/zinc/26/90/63/921269063.db2.gz MRAOGELYGUSXKV-UHFFFAOYSA-N 2 2 412.946 4.327 20 0 HIADLP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1c1ccccc1F ZINC000499178359 908533583 /nfs/dbraw/zinc/53/35/83/908533583.db2.gz TYEVZVOYERRNHW-KGSLCBSSSA-N 2 2 407.533 4.106 20 0 HIADLP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCN1c1ccccc1F ZINC000499178359 908533593 /nfs/dbraw/zinc/53/35/93/908533593.db2.gz TYEVZVOYERRNHW-KGSLCBSSSA-N 2 2 407.533 4.106 20 0 HIADLP CSc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000500247073 909736474 /nfs/dbraw/zinc/73/64/74/909736474.db2.gz UVNJPOZEOHQIOU-INIZCTEOSA-N 2 2 418.632 4.386 20 0 HIADLP c1ccc(C[N@@H+]2CCO[C@H](c3noc(-c4ccc(C[NH+]5CCCCC5)cc4)n3)C2)cc1 ZINC000500829866 910109506 /nfs/dbraw/zinc/10/95/06/910109506.db2.gz AJHZZBFRWFXMFM-QHCPKHFHSA-N 2 2 418.541 4.296 20 0 HIADLP c1ccc(C[N@H+]2CCO[C@H](c3noc(-c4ccc(C[NH+]5CCCCC5)cc4)n3)C2)cc1 ZINC000500829866 910109511 /nfs/dbraw/zinc/10/95/11/910109511.db2.gz AJHZZBFRWFXMFM-QHCPKHFHSA-N 2 2 418.541 4.296 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000501478389 910593344 /nfs/dbraw/zinc/59/33/44/910593344.db2.gz YABFFKVMKSTYPR-PMACEKPBSA-N 2 2 407.558 4.144 20 0 HIADLP O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C1CCCC1 ZINC000501695255 910764906 /nfs/dbraw/zinc/76/49/06/910764906.db2.gz HBEWBMMIVOPHOL-HXUWFJFHSA-N 2 2 418.545 4.104 20 0 HIADLP O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C1CCCC1 ZINC000501695255 910764910 /nfs/dbraw/zinc/76/49/10/910764910.db2.gz HBEWBMMIVOPHOL-HXUWFJFHSA-N 2 2 418.545 4.104 20 0 HIADLP COc1sc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1Br ZINC000502345540 911326144 /nfs/dbraw/zinc/32/61/44/911326144.db2.gz LTKUGDUEVRUCLK-CYBMUJFWSA-N 2 2 410.381 4.432 20 0 HIADLP COc1sc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1Br ZINC000502345540 911326169 /nfs/dbraw/zinc/32/61/69/911326169.db2.gz LTKUGDUEVRUCLK-CYBMUJFWSA-N 2 2 410.381 4.432 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503064107 912029209 /nfs/dbraw/zinc/02/92/09/912029209.db2.gz PQCBFVZVLRVXDU-RXVVDRJESA-N 2 2 421.570 4.092 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503064107 912029232 /nfs/dbraw/zinc/02/92/32/912029232.db2.gz PQCBFVZVLRVXDU-RXVVDRJESA-N 2 2 421.570 4.092 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000503074492 912043337 /nfs/dbraw/zinc/04/33/37/912043337.db2.gz LJIDVKHXGNBVCT-LEOXJPRUSA-N 2 2 404.514 4.155 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000503074492 912043349 /nfs/dbraw/zinc/04/33/49/912043349.db2.gz LJIDVKHXGNBVCT-LEOXJPRUSA-N 2 2 404.514 4.155 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503076087 912045714 /nfs/dbraw/zinc/04/57/14/912045714.db2.gz WOSZNCKIFIICRY-IIYDPXPESA-N 2 2 414.859 4.465 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503076087 912045722 /nfs/dbraw/zinc/04/57/22/912045722.db2.gz WOSZNCKIFIICRY-IIYDPXPESA-N 2 2 414.859 4.465 20 0 HIADLP C[C@@H]([NH2+]C1(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CCCC1)c1ccccc1 ZINC000503084452 912052206 /nfs/dbraw/zinc/05/22/06/912052206.db2.gz MSBFUYPWRQMBLL-HXUWFJFHSA-N 2 2 417.557 4.335 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CCCC1)c1ccccc1 ZINC000503084449 912053183 /nfs/dbraw/zinc/05/31/83/912053183.db2.gz MSBFUYPWRQMBLL-FQEVSTJZSA-N 2 2 417.557 4.335 20 0 HIADLP O=C(NCc1ccccc1)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000506277498 914878719 /nfs/dbraw/zinc/87/87/19/914878719.db2.gz PIYGNNYCHCCXIG-SANMLTNESA-N 2 2 413.565 4.430 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000508062102 916885991 /nfs/dbraw/zinc/88/59/91/916885991.db2.gz FOUBZDMDMJWXIP-LJQANCHMSA-N 2 2 405.995 4.101 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000508062102 916885993 /nfs/dbraw/zinc/88/59/93/916885993.db2.gz FOUBZDMDMJWXIP-LJQANCHMSA-N 2 2 405.995 4.101 20 0 HIADLP CCOc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc(Br)c1OC ZINC000508637613 917403698 /nfs/dbraw/zinc/40/36/98/917403698.db2.gz MKTXEXBZLPKMCQ-OAHLLOKOSA-N 2 2 422.367 4.045 20 0 HIADLP CCOc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc(Br)c1OC ZINC000508637613 917403707 /nfs/dbraw/zinc/40/37/07/917403707.db2.gz MKTXEXBZLPKMCQ-OAHLLOKOSA-N 2 2 422.367 4.045 20 0 HIADLP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2ccncc2)no1 ZINC000508696354 917456561 /nfs/dbraw/zinc/45/65/61/917456561.db2.gz HRVQYTGCRFDTQP-BWAGFHJFSA-N 2 2 405.546 4.329 20 0 HIADLP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2ccncc2)no1 ZINC000508696354 917456567 /nfs/dbraw/zinc/45/65/67/917456567.db2.gz HRVQYTGCRFDTQP-BWAGFHJFSA-N 2 2 405.546 4.329 20 0 HIADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[NH+](C)C ZINC000508897780 917652472 /nfs/dbraw/zinc/65/24/72/917652472.db2.gz KIPLILXNRGTOSW-QTEQDKRBSA-N 2 2 423.605 4.108 20 0 HIADLP CC[N@H+](CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000509519301 918168180 /nfs/dbraw/zinc/16/81/80/918168180.db2.gz IRBWSWMQKOFVRJ-UHFFFAOYSA-N 2 2 419.573 4.128 20 0 HIADLP CC[N@@H+](CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000509519301 918168190 /nfs/dbraw/zinc/16/81/90/918168190.db2.gz IRBWSWMQKOFVRJ-UHFFFAOYSA-N 2 2 419.573 4.128 20 0 HIADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccco1 ZINC000509569497 918220123 /nfs/dbraw/zinc/22/01/23/918220123.db2.gz NEHFWKYBBSQKIO-UOAUAQBLSA-N 2 2 421.545 4.133 20 0 HIADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3CC[NH+](CCC(C)C)CC3)c2C1 ZINC000510029423 918604859 /nfs/dbraw/zinc/60/48/59/918604859.db2.gz PTWCISYDAHEVMA-UHFFFAOYSA-N 2 2 422.617 4.101 20 0 HIADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3CC[NH+](CCC(C)C)CC3)c2C1 ZINC000510029423 918604869 /nfs/dbraw/zinc/60/48/69/918604869.db2.gz PTWCISYDAHEVMA-UHFFFAOYSA-N 2 2 422.617 4.101 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4ccc(Br)cc43)[nH+]c2)C1 ZINC000510686837 919125106 /nfs/dbraw/zinc/12/51/06/919125106.db2.gz VPJHIOJZENXLOB-PKOBYXMFSA-N 2 2 401.352 4.084 20 0 HIADLP Cc1cccc([C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510753926 919203662 /nfs/dbraw/zinc/20/36/62/919203662.db2.gz RWDJSIHQOLNKOA-DEOSSOPVSA-N 2 2 404.533 4.160 20 0 HIADLP C[C@@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCCCCC1 ZINC000510851909 919340774 /nfs/dbraw/zinc/34/07/74/919340774.db2.gz OKCPIIDCSJOWJK-NRFANRHFSA-N 2 2 416.569 4.479 20 0 HIADLP Fc1ccc(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1F ZINC000510905807 919409627 /nfs/dbraw/zinc/40/96/27/919409627.db2.gz IZODTODOTNBMEB-UHFFFAOYSA-N 2 2 410.262 4.262 20 0 HIADLP Fc1ccc(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1F ZINC000510905807 919409642 /nfs/dbraw/zinc/40/96/42/919409642.db2.gz IZODTODOTNBMEB-UHFFFAOYSA-N 2 2 410.262 4.262 20 0 HIADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)cc1 ZINC000511318382 919909383 /nfs/dbraw/zinc/90/93/83/919909383.db2.gz DLXXZZIWLYKDOB-UHFFFAOYSA-N 2 2 423.601 4.275 20 0 HIADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)cc1 ZINC000511318382 919909393 /nfs/dbraw/zinc/90/93/93/919909393.db2.gz DLXXZZIWLYKDOB-UHFFFAOYSA-N 2 2 423.601 4.275 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccc(Cl)cc3)C3CCC3)CC2)CC1 ZINC000511348461 919942780 /nfs/dbraw/zinc/94/27/80/919942780.db2.gz WSQDDQVKKHDYBQ-JOCHJYFZSA-N 2 2 419.013 4.039 20 0 HIADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000511614354 920269147 /nfs/dbraw/zinc/26/91/47/920269147.db2.gz QFOCUVILNWVLAZ-HXUWFJFHSA-N 2 2 411.512 4.221 20 0 HIADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000511614354 920269160 /nfs/dbraw/zinc/26/91/60/920269160.db2.gz QFOCUVILNWVLAZ-HXUWFJFHSA-N 2 2 411.512 4.221 20 0 HIADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000512036335 920808840 /nfs/dbraw/zinc/80/88/40/920808840.db2.gz HFPXVOYYABCDQC-QWHCGFSZSA-N 2 2 402.848 4.198 20 0 HIADLP C[N@H+](Cc1cccc(OCc2ccccn2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512364320 921105706 /nfs/dbraw/zinc/10/57/06/921105706.db2.gz DEHIIESNWWVCAP-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512364320 921105713 /nfs/dbraw/zinc/10/57/13/921105713.db2.gz DEHIIESNWWVCAP-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1CC[NH+](CCO)CC1 ZINC000513547572 921885014 /nfs/dbraw/zinc/88/50/14/921885014.db2.gz DBYZGFDFMYZCKG-UHFFFAOYSA-N 2 2 424.976 4.081 20 0 HIADLP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1CC[NH+](CCO)CC1 ZINC000513547572 921885019 /nfs/dbraw/zinc/88/50/19/921885019.db2.gz DBYZGFDFMYZCKG-UHFFFAOYSA-N 2 2 424.976 4.081 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)cn2c1 ZINC000513716086 922035848 /nfs/dbraw/zinc/03/58/48/922035848.db2.gz XEYXGCDDLSVUCN-UHFFFAOYSA-N 2 2 410.587 4.033 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)cn2c1 ZINC000513716086 922035863 /nfs/dbraw/zinc/03/58/63/922035863.db2.gz XEYXGCDDLSVUCN-UHFFFAOYSA-N 2 2 410.587 4.033 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccsc1 ZINC000514458361 922635753 /nfs/dbraw/zinc/63/57/53/922635753.db2.gz NQUNHZPMYNVVAS-PMACEKPBSA-N 2 2 421.010 4.141 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c2ccccc21 ZINC000514753655 922783329 /nfs/dbraw/zinc/78/33/29/922783329.db2.gz HUGRQPJSSCAMNE-GOSISDBHSA-N 2 2 421.516 4.100 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCCCNc3cccc[nH+]3)cc2)C1 ZINC000517911844 926887453 /nfs/dbraw/zinc/88/74/53/926887453.db2.gz CALQCPXYHUFEBV-HXUWFJFHSA-N 2 2 409.578 4.005 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCCNc3cccc[nH+]3)cc2)C1 ZINC000517911844 926887465 /nfs/dbraw/zinc/88/74/65/926887465.db2.gz CALQCPXYHUFEBV-HXUWFJFHSA-N 2 2 409.578 4.005 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCCC1)c1ccccc1 ZINC000518865637 927573369 /nfs/dbraw/zinc/57/33/69/927573369.db2.gz RVVOEGFRAGWKEK-FQEVSTJZSA-N 2 2 402.542 4.325 20 0 HIADLP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000519921264 928153810 /nfs/dbraw/zinc/15/38/10/928153810.db2.gz QOJZPGVOSFAEGU-XMMPIXPASA-N 2 2 423.626 4.079 20 0 HIADLP CC(C)CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000520579696 928651412 /nfs/dbraw/zinc/65/14/12/928651412.db2.gz IWZUHLBLLBARAZ-JOCHJYFZSA-N 2 2 423.045 4.485 20 0 HIADLP CC(C)CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000520579696 928651426 /nfs/dbraw/zinc/65/14/26/928651426.db2.gz IWZUHLBLLBARAZ-JOCHJYFZSA-N 2 2 423.045 4.485 20 0 HIADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000520601364 928665571 /nfs/dbraw/zinc/66/55/71/928665571.db2.gz OWLBNCXAXLQWDV-FQEVSTJZSA-N 2 2 424.589 4.195 20 0 HIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC(C)C ZINC000522020308 929620174 /nfs/dbraw/zinc/62/01/74/929620174.db2.gz WWKCSECXHXCBEJ-NZQKXSOJSA-N 2 2 412.574 4.424 20 0 HIADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC(C)C ZINC000522020308 929620181 /nfs/dbraw/zinc/62/01/81/929620181.db2.gz WWKCSECXHXCBEJ-NZQKXSOJSA-N 2 2 412.574 4.424 20 0 HIADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC(C)C ZINC000522020312 929620374 /nfs/dbraw/zinc/62/03/74/929620374.db2.gz WWKCSECXHXCBEJ-REWPJTCUSA-N 2 2 412.574 4.424 20 0 HIADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC(C)C ZINC000522020312 929620376 /nfs/dbraw/zinc/62/03/76/929620376.db2.gz WWKCSECXHXCBEJ-REWPJTCUSA-N 2 2 412.574 4.424 20 0 HIADLP O[C@@]1(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000524637773 929748194 /nfs/dbraw/zinc/74/81/94/929748194.db2.gz TUGWWJYDASAIIG-XMMPIXPASA-N 2 2 419.550 4.283 20 0 HIADLP O[C@@]1(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000524637773 929748204 /nfs/dbraw/zinc/74/82/04/929748204.db2.gz TUGWWJYDASAIIG-XMMPIXPASA-N 2 2 419.550 4.283 20 0 HIADLP CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000525820795 930456443 /nfs/dbraw/zinc/45/64/43/930456443.db2.gz CGBDZMXZXRPSQZ-LOSJGSFVSA-N 2 2 421.585 4.116 20 0 HIADLP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000525820795 930456450 /nfs/dbraw/zinc/45/64/50/930456450.db2.gz CGBDZMXZXRPSQZ-LOSJGSFVSA-N 2 2 421.585 4.116 20 0 HIADLP C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000527198488 930610516 /nfs/dbraw/zinc/61/05/16/930610516.db2.gz LYVUVAHTLPTJCA-HXUWFJFHSA-N 2 2 412.599 4.139 20 0 HIADLP C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000527198488 930610518 /nfs/dbraw/zinc/61/05/18/930610518.db2.gz LYVUVAHTLPTJCA-HXUWFJFHSA-N 2 2 412.599 4.139 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000530372103 930697080 /nfs/dbraw/zinc/69/70/80/930697080.db2.gz HESVJLXHJVKIDL-KUHUBIRLSA-N 2 2 405.420 4.464 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000530818422 930831287 /nfs/dbraw/zinc/83/12/87/930831287.db2.gz PMJMLEAZLZKGHH-LJQANCHMSA-N 2 2 408.468 4.149 20 0 HIADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000531108146 930923671 /nfs/dbraw/zinc/92/36/71/930923671.db2.gz IIJUTXQHNQZPKP-UHFFFAOYSA-N 2 2 410.606 4.204 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000531427122 931052873 /nfs/dbraw/zinc/05/28/73/931052873.db2.gz NQNMCURNADSJGL-LBPRGKRZSA-N 2 2 400.832 4.219 20 0 HIADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531939656 931254111 /nfs/dbraw/zinc/25/41/11/931254111.db2.gz IFBGBRXZKUBVOU-GOSISDBHSA-N 2 2 410.949 4.112 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1I ZINC000531941243 931255180 /nfs/dbraw/zinc/25/51/80/931255180.db2.gz VXTBCZQMPFRSCN-OAHLLOKOSA-N 2 2 417.294 4.387 20 0 HIADLP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OCC(=O)N(C)C ZINC000532212151 931355167 /nfs/dbraw/zinc/35/51/67/931355167.db2.gz WHPYQXUMVDPYKC-XMSQKQJNSA-N 2 2 406.530 4.141 20 0 HIADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000532459375 931444846 /nfs/dbraw/zinc/44/48/46/931444846.db2.gz MUDXIULCJURJNR-IBGZPJMESA-N 2 2 411.512 4.221 20 0 HIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000532670746 931577328 /nfs/dbraw/zinc/57/73/28/931577328.db2.gz STNDOPCUVQYRAW-FQEVSTJZSA-N 2 2 402.542 4.371 20 0 HIADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)CC2)c1 ZINC000533286832 931828251 /nfs/dbraw/zinc/82/82/51/931828251.db2.gz KUICZTCCTJZWGC-IBGZPJMESA-N 2 2 416.525 4.226 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533289588 931829116 /nfs/dbraw/zinc/82/91/16/931829116.db2.gz RIDDLDQYZQTYMU-URXFXBBRSA-N 2 2 405.586 4.231 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000533289588 931829121 /nfs/dbraw/zinc/82/91/21/931829121.db2.gz RIDDLDQYZQTYMU-URXFXBBRSA-N 2 2 405.586 4.231 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000533417140 931861667 /nfs/dbraw/zinc/86/16/67/931861667.db2.gz WSFOSIXNABELHU-UHFFFAOYSA-N 2 2 416.525 4.426 20 0 HIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000533417140 931861671 /nfs/dbraw/zinc/86/16/71/931861671.db2.gz WSFOSIXNABELHU-UHFFFAOYSA-N 2 2 416.525 4.426 20 0 HIADLP CN(C(=O)Nc1nc2ccccc2s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533640800 931940391 /nfs/dbraw/zinc/94/03/91/931940391.db2.gz ZGYYWBBKCGECQS-RTBURBONSA-N 2 2 415.607 4.097 20 0 HIADLP CN(C(=O)Nc1nc2ccccc2s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533640800 931940397 /nfs/dbraw/zinc/94/03/97/931940397.db2.gz ZGYYWBBKCGECQS-RTBURBONSA-N 2 2 415.607 4.097 20 0 HIADLP CN(C(=O)[C@@H]1CCSc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646848 931943416 /nfs/dbraw/zinc/94/34/16/931943416.db2.gz DOEGDCGDMBVQJI-VSKRKVRLSA-N 2 2 415.647 4.062 20 0 HIADLP CN(C(=O)[C@@H]1CCSc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646848 931943423 /nfs/dbraw/zinc/94/34/23/931943423.db2.gz DOEGDCGDMBVQJI-VSKRKVRLSA-N 2 2 415.647 4.062 20 0 HIADLP Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)on2)cc1 ZINC000533649050 931944772 /nfs/dbraw/zinc/94/47/72/931944772.db2.gz PBNRWIBHHJLRDQ-DHIUTWEWSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)on2)cc1 ZINC000533649050 931944779 /nfs/dbraw/zinc/94/47/79/931944779.db2.gz PBNRWIBHHJLRDQ-DHIUTWEWSA-N 2 2 424.589 4.059 20 0 HIADLP CN(C(=O)Cc1cccc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648670 931944837 /nfs/dbraw/zinc/94/48/37/931944837.db2.gz IXPCLTAYXNDIGS-DQEYMECFSA-N 2 2 407.602 4.178 20 0 HIADLP CN(C(=O)Cc1cccc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648670 931944843 /nfs/dbraw/zinc/94/48/43/931944843.db2.gz IXPCLTAYXNDIGS-DQEYMECFSA-N 2 2 407.602 4.178 20 0 HIADLP CN(C(=O)C1CC(c2cccc(F)c2)C1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649519 931945200 /nfs/dbraw/zinc/94/52/00/931945200.db2.gz NYPBUEJZNHJGPJ-YVJUOPSFSA-N 2 2 415.597 4.115 20 0 HIADLP CN(C(=O)C1CC(c2cccc(F)c2)C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649519 931945203 /nfs/dbraw/zinc/94/52/03/931945203.db2.gz NYPBUEJZNHJGPJ-YVJUOPSFSA-N 2 2 415.597 4.115 20 0 HIADLP CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649630 931945867 /nfs/dbraw/zinc/94/58/67/931945867.db2.gz PORRKANHCLJLNU-VQTJNVASSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649630 931945873 /nfs/dbraw/zinc/94/58/73/931945873.db2.gz PORRKANHCLJLNU-VQTJNVASSA-N 2 2 412.405 4.403 20 0 HIADLP C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682662 931967951 /nfs/dbraw/zinc/96/79/51/931967951.db2.gz KWDYLXYOKRWHNL-YADHBBJMSA-N 2 2 415.940 4.250 20 0 HIADLP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682662 931967955 /nfs/dbraw/zinc/96/79/55/931967955.db2.gz KWDYLXYOKRWHNL-YADHBBJMSA-N 2 2 415.940 4.250 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534125764 932291898 /nfs/dbraw/zinc/29/18/98/932291898.db2.gz XCDUTMBOAMYVDT-TZIWHRDSSA-N 2 2 411.933 4.323 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534125764 932291902 /nfs/dbraw/zinc/29/19/02/932291902.db2.gz XCDUTMBOAMYVDT-TZIWHRDSSA-N 2 2 411.933 4.323 20 0 HIADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000534348608 932388669 /nfs/dbraw/zinc/38/86/69/932388669.db2.gz XUAZRXBGGUSHQO-DYESRHJHSA-N 2 2 424.932 4.251 20 0 HIADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000534348608 932388675 /nfs/dbraw/zinc/38/86/75/932388675.db2.gz XUAZRXBGGUSHQO-DYESRHJHSA-N 2 2 424.932 4.251 20 0 HIADLP CN(C(=O)c1cncc(-c2ccccc2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357659 932392041 /nfs/dbraw/zinc/39/20/41/932392041.db2.gz DBKXCIMTIPWUHX-DQEYMECFSA-N 2 2 420.601 4.158 20 0 HIADLP CN(C(=O)c1cncc(-c2ccccc2)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357659 932392045 /nfs/dbraw/zinc/39/20/45/932392045.db2.gz DBKXCIMTIPWUHX-DQEYMECFSA-N 2 2 420.601 4.158 20 0 HIADLP CN(C(=O)CCc1cc(Cl)cs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357930 932392092 /nfs/dbraw/zinc/39/20/92/932392092.db2.gz CINJTBLEZUFKHB-WOJBJXKFSA-N 2 2 412.043 4.130 20 0 HIADLP CN(C(=O)CCc1cc(Cl)cs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357930 932392100 /nfs/dbraw/zinc/39/21/00/932392100.db2.gz CINJTBLEZUFKHB-WOJBJXKFSA-N 2 2 412.043 4.130 20 0 HIADLP CN(C(=O)C/C=C/c1ccccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359315 932392893 /nfs/dbraw/zinc/39/28/93/932392893.db2.gz IANXRGCDIYGYKB-JLKVXXDOSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)C/C=C/c1ccccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359315 932392898 /nfs/dbraw/zinc/39/28/98/932392898.db2.gz IANXRGCDIYGYKB-JLKVXXDOSA-N 2 2 401.570 4.025 20 0 HIADLP C[C@H](SCc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360285 932393581 /nfs/dbraw/zinc/39/35/81/932393581.db2.gz MPBNZCGHXZRPER-WWPVKYPJSA-N 2 2 417.663 4.104 20 0 HIADLP C[C@H](SCc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360285 932393587 /nfs/dbraw/zinc/39/35/87/932393587.db2.gz MPBNZCGHXZRPER-WWPVKYPJSA-N 2 2 417.663 4.104 20 0 HIADLP CN(C(=O)c1cc(Cl)sc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361138 932395449 /nfs/dbraw/zinc/39/54/49/932395449.db2.gz SYEJEXHGQWVJMT-CVEARBPZSA-N 2 2 418.434 4.464 20 0 HIADLP CN(C(=O)c1cc(Cl)sc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361138 932395453 /nfs/dbraw/zinc/39/54/53/932395453.db2.gz SYEJEXHGQWVJMT-CVEARBPZSA-N 2 2 418.434 4.464 20 0 HIADLP Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534385553 932411638 /nfs/dbraw/zinc/41/16/38/932411638.db2.gz WQLZAAHFUUFBFF-VJBMBRPKSA-N 2 2 400.611 4.035 20 0 HIADLP Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534385553 932411641 /nfs/dbraw/zinc/41/16/41/932411641.db2.gz WQLZAAHFUUFBFF-VJBMBRPKSA-N 2 2 400.611 4.035 20 0 HIADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534600225 932586245 /nfs/dbraw/zinc/58/62/45/932586245.db2.gz MJQXTUKUMYQVED-UHFFFAOYSA-N 2 2 409.578 4.434 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000534793186 932773826 /nfs/dbraw/zinc/77/38/26/932773826.db2.gz HWVNXTLXXCXCPL-SSKFGXFMSA-N 2 2 405.369 4.453 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000534793186 932773830 /nfs/dbraw/zinc/77/38/30/932773830.db2.gz HWVNXTLXXCXCPL-SSKFGXFMSA-N 2 2 405.369 4.453 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534860244 932810889 /nfs/dbraw/zinc/81/08/89/932810889.db2.gz LLMLMENYJHSELI-FQEVSTJZSA-N 2 2 414.553 4.252 20 0 HIADLP Clc1cccc(-n2cc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)nn2)c1Cl ZINC000535089033 932902028 /nfs/dbraw/zinc/90/20/28/932902028.db2.gz QETLYFRKCMRDDF-UHFFFAOYSA-N 2 2 416.356 4.460 20 0 HIADLP CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095906 932911321 /nfs/dbraw/zinc/91/13/21/932911321.db2.gz LKXDEXQTOQZNFN-FCHUYYIVSA-N 2 2 416.997 4.231 20 0 HIADLP CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095906 932911330 /nfs/dbraw/zinc/91/13/30/932911330.db2.gz LKXDEXQTOQZNFN-FCHUYYIVSA-N 2 2 416.997 4.231 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000535097650 932914588 /nfs/dbraw/zinc/91/45/88/932914588.db2.gz XMYMRRZFFOMZAZ-YSZBQJHXSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000535097650 932914594 /nfs/dbraw/zinc/91/45/94/932914594.db2.gz XMYMRRZFFOMZAZ-YSZBQJHXSA-N 2 2 403.586 4.115 20 0 HIADLP Cc1cccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535112667 932929737 /nfs/dbraw/zinc/92/97/37/932929737.db2.gz RUKQJNUVFCFCJZ-TUACAJSNSA-N 2 2 414.638 4.343 20 0 HIADLP Cc1cccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535112667 932929750 /nfs/dbraw/zinc/92/97/50/932929750.db2.gz RUKQJNUVFCFCJZ-TUACAJSNSA-N 2 2 414.638 4.343 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000535289313 933053107 /nfs/dbraw/zinc/05/31/07/933053107.db2.gz PBCBXVSJPAFNCV-UHFFFAOYSA-N 2 2 407.477 4.415 20 0 HIADLP CC(C)CC[NH+]1CCC(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000535327058 933074229 /nfs/dbraw/zinc/07/42/29/933074229.db2.gz MDRGTZSHFGHVLN-UHFFFAOYSA-N 2 2 421.589 4.481 20 0 HIADLP CC(C)c1ccc([C@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000535338491 933081007 /nfs/dbraw/zinc/08/10/07/933081007.db2.gz XAPVIFVYCDQOSK-XMMPIXPASA-N 2 2 412.622 4.215 20 0 HIADLP CC(C)Oc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535646889 933287016 /nfs/dbraw/zinc/28/70/16/933287016.db2.gz MKULSMLXGVFNRQ-YADHBBJMSA-N 2 2 416.610 4.275 20 0 HIADLP CC(C)Oc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535646889 933287031 /nfs/dbraw/zinc/28/70/31/933287031.db2.gz MKULSMLXGVFNRQ-YADHBBJMSA-N 2 2 416.610 4.275 20 0 HIADLP CN(C(=O)Nc1cccc(Cl)c1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535647054 933287496 /nfs/dbraw/zinc/28/74/96/933287496.db2.gz OBCWJWMGEODWNH-RBUKOAKNSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cccc(Cl)c1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535647054 933287508 /nfs/dbraw/zinc/28/75/08/933287508.db2.gz OBCWJWMGEODWNH-RBUKOAKNSA-N 2 2 410.965 4.280 20 0 HIADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)cc1F ZINC000535689611 933344862 /nfs/dbraw/zinc/34/48/62/933344862.db2.gz IUSQOKFNMRMHFR-UHFFFAOYSA-N 2 2 417.326 4.330 20 0 HIADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@H]21 ZINC000535807939 933403101 /nfs/dbraw/zinc/40/31/01/933403101.db2.gz JJIKUPBMUYOOIA-MAUKXSAKSA-N 2 2 406.393 4.489 20 0 HIADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@H]21 ZINC000535807939 933403109 /nfs/dbraw/zinc/40/31/09/933403109.db2.gz JJIKUPBMUYOOIA-MAUKXSAKSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@H]21 ZINC000535807939 933403117 /nfs/dbraw/zinc/40/31/17/933403117.db2.gz JJIKUPBMUYOOIA-MAUKXSAKSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@H]21 ZINC000535807939 933403122 /nfs/dbraw/zinc/40/31/22/933403122.db2.gz JJIKUPBMUYOOIA-MAUKXSAKSA-N 2 2 406.393 4.489 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000535849421 933429702 /nfs/dbraw/zinc/42/97/02/933429702.db2.gz AWEOSLHHYSBXDY-NYVOZVTQSA-N 2 2 411.590 4.332 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000535849421 933429727 /nfs/dbraw/zinc/42/97/27/933429727.db2.gz AWEOSLHHYSBXDY-NYVOZVTQSA-N 2 2 411.590 4.332 20 0 HIADLP CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848805 933430016 /nfs/dbraw/zinc/43/00/16/933430016.db2.gz CLGWUJLNKQVODP-XEYPJELSSA-N 2 2 417.560 4.151 20 0 HIADLP CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848805 933430021 /nfs/dbraw/zinc/43/00/21/933430021.db2.gz CLGWUJLNKQVODP-XEYPJELSSA-N 2 2 417.560 4.151 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850729 933434409 /nfs/dbraw/zinc/43/44/09/933434409.db2.gz LXEYSQTWFPGBGG-RPWUZVMVSA-N 2 2 408.590 4.091 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850729 933434412 /nfs/dbraw/zinc/43/44/12/933434412.db2.gz LXEYSQTWFPGBGG-RPWUZVMVSA-N 2 2 408.590 4.091 20 0 HIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(Br)ccc1F ZINC000537455655 933780804 /nfs/dbraw/zinc/78/08/04/933780804.db2.gz JIYUYMGUNAVMDX-CJNGLKHVSA-N 2 2 407.331 4.297 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1Cl ZINC000562591781 945105465 /nfs/dbraw/zinc/10/54/65/945105465.db2.gz BUZCACMJIPKUNG-RBUKOAKNSA-N 2 2 409.977 4.197 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1Cl ZINC000562591781 945105475 /nfs/dbraw/zinc/10/54/75/945105475.db2.gz BUZCACMJIPKUNG-RBUKOAKNSA-N 2 2 409.977 4.197 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1Cl ZINC000562591782 945105698 /nfs/dbraw/zinc/10/56/98/945105698.db2.gz BUZCACMJIPKUNG-RTBURBONSA-N 2 2 409.977 4.197 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1Cl ZINC000562591782 945105701 /nfs/dbraw/zinc/10/57/01/945105701.db2.gz BUZCACMJIPKUNG-RTBURBONSA-N 2 2 409.977 4.197 20 0 HIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000537637404 938343020 /nfs/dbraw/zinc/34/30/20/938343020.db2.gz GWVFIZVBEPHXFY-UHFFFAOYSA-N 2 2 418.585 4.126 20 0 HIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000537637404 938343022 /nfs/dbraw/zinc/34/30/22/938343022.db2.gz GWVFIZVBEPHXFY-UHFFFAOYSA-N 2 2 418.585 4.126 20 0 HIADLP c1cn(-c2cccc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccncc3)c2)c[nH+]1 ZINC000537727496 938364018 /nfs/dbraw/zinc/36/40/18/938364018.db2.gz UAZLTTGWYYRKHL-UHFFFAOYSA-N 2 2 406.493 4.410 20 0 HIADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1nc2c(s1)CCCC2 ZINC000537885024 938399702 /nfs/dbraw/zinc/39/97/02/938399702.db2.gz XNRLZUAJMGARGU-HOTGVXAUSA-N 2 2 402.583 4.325 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000537952688 938430239 /nfs/dbraw/zinc/43/02/39/938430239.db2.gz PKBKLCPBOKUAFL-VQTJNVASSA-N 2 2 419.573 4.270 20 0 HIADLP CC(C)c1csc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538355526 938602386 /nfs/dbraw/zinc/60/23/86/938602386.db2.gz LVENPLBLAIYGMZ-RBUKOAKNSA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)c1csc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538355526 938602388 /nfs/dbraw/zinc/60/23/88/938602388.db2.gz LVENPLBLAIYGMZ-RBUKOAKNSA-N 2 2 407.628 4.067 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3C[C@@H]4CCC(C)(C)c5cccc3c54)CC2)CC1 ZINC000538456880 938626595 /nfs/dbraw/zinc/62/65/95/938626595.db2.gz JUBNTXZVVAYVSX-FDDCHVKYSA-N 2 2 424.633 4.144 20 0 HIADLP Clc1cccc(-n2cc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)nn2)c1Cl ZINC000538612901 938661448 /nfs/dbraw/zinc/66/14/48/938661448.db2.gz KEHPICUBOTXFDJ-UHFFFAOYSA-N 2 2 416.356 4.460 20 0 HIADLP CC[N@H+](Cc1cc(OC)cc(OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538729425 938694428 /nfs/dbraw/zinc/69/44/28/938694428.db2.gz OCXOSWUMXASVAW-UHFFFAOYSA-N 2 2 412.578 4.417 20 0 HIADLP CC[N@@H+](Cc1cc(OC)cc(OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538729425 938694430 /nfs/dbraw/zinc/69/44/30/938694430.db2.gz OCXOSWUMXASVAW-UHFFFAOYSA-N 2 2 412.578 4.417 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1OCc1cccs1 ZINC000538752166 938702550 /nfs/dbraw/zinc/70/25/50/938702550.db2.gz MVYZRKXUZXVHGF-HXUWFJFHSA-N 2 2 400.588 4.499 20 0 HIADLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1OCc1cccs1 ZINC000538752166 938702552 /nfs/dbraw/zinc/70/25/52/938702552.db2.gz MVYZRKXUZXVHGF-HXUWFJFHSA-N 2 2 400.588 4.499 20 0 HIADLP COc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1OCc1cccs1 ZINC000538752166 938702554 /nfs/dbraw/zinc/70/25/54/938702554.db2.gz MVYZRKXUZXVHGF-HXUWFJFHSA-N 2 2 400.588 4.499 20 0 HIADLP COc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1OCc1cccs1 ZINC000538752166 938702556 /nfs/dbraw/zinc/70/25/56/938702556.db2.gz MVYZRKXUZXVHGF-HXUWFJFHSA-N 2 2 400.588 4.499 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000539046356 938781950 /nfs/dbraw/zinc/78/19/50/938781950.db2.gz KIDKZGGYXOSYOH-CPJSRVTESA-N 2 2 414.553 4.334 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000539046356 938781956 /nfs/dbraw/zinc/78/19/56/938781956.db2.gz KIDKZGGYXOSYOH-CPJSRVTESA-N 2 2 414.553 4.334 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000539394757 938854074 /nfs/dbraw/zinc/85/40/74/938854074.db2.gz ZDWDHAXQGIAQNM-IEZKXTBUSA-N 3 2 419.613 4.475 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000539394757 938854075 /nfs/dbraw/zinc/85/40/75/938854075.db2.gz ZDWDHAXQGIAQNM-IEZKXTBUSA-N 3 2 419.613 4.475 20 0 HIADLP CN(C(=O)Nc1cc(F)ccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539460133 938863970 /nfs/dbraw/zinc/86/39/70/938863970.db2.gz JBLYCHGHWSWJHV-VQTJNVASSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cc(F)ccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539460133 938863971 /nfs/dbraw/zinc/86/39/71/938863971.db2.gz JBLYCHGHWSWJHV-VQTJNVASSA-N 2 2 410.965 4.280 20 0 HIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)c(Br)c1 ZINC000539658285 938895591 /nfs/dbraw/zinc/89/55/91/938895591.db2.gz ULMUTRFJVZHTJR-CZUORRHYSA-N 2 2 407.331 4.297 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4c3cccc4Br)[nH+]c2)C1 ZINC000539659594 938895837 /nfs/dbraw/zinc/89/58/37/938895837.db2.gz QKCJKGIQPFOFGI-BEFAXECRSA-N 2 2 401.352 4.084 20 0 HIADLP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000539836167 938953363 /nfs/dbraw/zinc/95/33/63/938953363.db2.gz XNNRDYNEADBSHJ-FQEVSTJZSA-N 2 2 401.558 4.088 20 0 HIADLP C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000539836167 938953367 /nfs/dbraw/zinc/95/33/67/938953367.db2.gz XNNRDYNEADBSHJ-FQEVSTJZSA-N 2 2 401.558 4.088 20 0 HIADLP c1csc([C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CCCC2)c1 ZINC000540086979 939064571 /nfs/dbraw/zinc/06/45/71/939064571.db2.gz SKWGMMPOLIFNNC-QHCPKHFHSA-N 2 2 400.588 4.480 20 0 HIADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C[C@@H](C)O1 ZINC000540245186 939164316 /nfs/dbraw/zinc/16/43/16/939164316.db2.gz NDRUHGOJQJCIGG-HZPDHXFCSA-N 2 2 401.378 4.084 20 0 HIADLP CC(C)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000540261366 939176291 /nfs/dbraw/zinc/17/62/91/939176291.db2.gz ZXPRUMVBQJJRHH-HSZRJFAPSA-N 2 2 408.546 4.032 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](c3ccccc3F)C3CCCC3)cc2)CC1 ZINC000540266040 939177452 /nfs/dbraw/zinc/17/74/52/939177452.db2.gz WGMLNOHEWKLLOC-XMMPIXPASA-N 2 2 409.549 4.234 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540316800 939191966 /nfs/dbraw/zinc/19/19/66/939191966.db2.gz RPBJIJRVRVKGID-RTWAWAEBSA-N 2 2 403.929 4.106 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540316800 939191968 /nfs/dbraw/zinc/19/19/68/939191968.db2.gz RPBJIJRVRVKGID-RTWAWAEBSA-N 2 2 403.929 4.106 20 0 HIADLP CCC(CC)n1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)n1 ZINC000540408128 939237734 /nfs/dbraw/zinc/23/77/34/939237734.db2.gz QIKJJQWYAGELRL-GOSISDBHSA-N 2 2 401.574 4.376 20 0 HIADLP CN(C(=O)Nc1ncc(C(C)(C)C)s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540555984 939304130 /nfs/dbraw/zinc/30/41/30/939304130.db2.gz WQBLUWIUMHIHSY-MSOLQXFVSA-N 2 2 421.655 4.242 20 0 HIADLP CN(C(=O)Nc1ncc(C(C)(C)C)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540555984 939304134 /nfs/dbraw/zinc/30/41/34/939304134.db2.gz WQBLUWIUMHIHSY-MSOLQXFVSA-N 2 2 421.655 4.242 20 0 HIADLP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)oc21 ZINC000540596660 939314913 /nfs/dbraw/zinc/31/49/13/939314913.db2.gz UYLIOXNGJKPGIG-LJQANCHMSA-N 2 2 424.541 4.393 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000540756039 939360910 /nfs/dbraw/zinc/36/09/10/939360910.db2.gz AWDIEGDFSKVYFG-HNAYVOBHSA-N 2 2 408.575 4.222 20 0 HIADLP CCc1ccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000540908338 939415170 /nfs/dbraw/zinc/41/51/70/939415170.db2.gz LBBHHZWBHXBGPL-HSZRJFAPSA-N 2 2 411.571 4.008 20 0 HIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ncc(Br)s1 ZINC000541066390 939447773 /nfs/dbraw/zinc/44/77/73/939447773.db2.gz AGKHFTZPCGLHAM-UHFFFAOYSA-N 2 2 406.349 4.420 20 0 HIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ncc(Br)s1 ZINC000541066390 939447777 /nfs/dbraw/zinc/44/77/77/939447777.db2.gz AGKHFTZPCGLHAM-UHFFFAOYSA-N 2 2 406.349 4.420 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1cccc(F)c1 ZINC000541406515 939507416 /nfs/dbraw/zinc/50/74/16/939507416.db2.gz CKUGVKRWYPJPMD-KNQAVFIVSA-N 2 2 412.553 4.051 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)c2)CCO1 ZINC000541548358 939551860 /nfs/dbraw/zinc/55/18/60/939551860.db2.gz BWCBZGUZKDWNJC-KBMIEXCESA-N 2 2 405.517 4.321 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)c2)CCO1 ZINC000541548358 939551863 /nfs/dbraw/zinc/55/18/63/939551863.db2.gz BWCBZGUZKDWNJC-KBMIEXCESA-N 2 2 405.517 4.321 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)cc2)CC1 ZINC000541552245 939553233 /nfs/dbraw/zinc/55/32/33/939553233.db2.gz YKXMSTCTJJLYFS-SANMLTNESA-N 2 2 418.560 4.237 20 0 HIADLP O=C1[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000541555065 939554647 /nfs/dbraw/zinc/55/46/47/939554647.db2.gz JYTNCCYZAFKDCP-KRWDZBQOSA-N 2 2 407.326 4.136 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000541602865 939566019 /nfs/dbraw/zinc/56/60/19/939566019.db2.gz BZHRZFIHKPMYKJ-SJSRKZJXSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000541602865 939566021 /nfs/dbraw/zinc/56/60/21/939566021.db2.gz BZHRZFIHKPMYKJ-SJSRKZJXSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541602865 939566024 /nfs/dbraw/zinc/56/60/24/939566024.db2.gz BZHRZFIHKPMYKJ-SJSRKZJXSA-N 4 2 418.714 4.250 20 0 HIADLP C[C@H](CC[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541602865 939566026 /nfs/dbraw/zinc/56/60/26/939566026.db2.gz BZHRZFIHKPMYKJ-SJSRKZJXSA-N 4 2 418.714 4.250 20 0 HIADLP Cc1cccc([C@H]2CCC[NH+]2CC2(C[N@H+]3CCC[C@@H]3c3cccc(C)n3)COC2)n1 ZINC000542000891 939676583 /nfs/dbraw/zinc/67/65/83/939676583.db2.gz WKPGXLVVHSAHRA-DNQXCXABSA-N 2 2 406.574 4.084 20 0 HIADLP Cc1cccc([C@H]2CCC[NH+]2CC2(C[N@@H+]3CCC[C@@H]3c3cccc(C)n3)COC2)n1 ZINC000542000891 939676589 /nfs/dbraw/zinc/67/65/89/939676589.db2.gz WKPGXLVVHSAHRA-DNQXCXABSA-N 2 2 406.574 4.084 20 0 HIADLP CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178087 939746208 /nfs/dbraw/zinc/74/62/08/939746208.db2.gz CDWRBHUIQJWDDJ-GOTSBHOMSA-N 2 2 415.622 4.273 20 0 HIADLP CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178087 939746211 /nfs/dbraw/zinc/74/62/11/939746211.db2.gz CDWRBHUIQJWDDJ-GOTSBHOMSA-N 2 2 415.622 4.273 20 0 HIADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000542471414 939828720 /nfs/dbraw/zinc/82/87/20/939828720.db2.gz BKAIBHYERSZBOU-SFLYRZDNSA-N 2 2 413.631 4.103 20 0 HIADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000542471414 939828724 /nfs/dbraw/zinc/82/87/24/939828724.db2.gz BKAIBHYERSZBOU-SFLYRZDNSA-N 2 2 413.631 4.103 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)c2)cc[nH+]1 ZINC000542650237 939851626 /nfs/dbraw/zinc/85/16/26/939851626.db2.gz NELKPEQELORGFU-UHFFFAOYSA-N 2 2 421.589 4.125 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000542664430 939852577 /nfs/dbraw/zinc/85/25/77/939852577.db2.gz KQIQDZMZIZLKOU-GGAORHGYSA-N 2 2 409.555 4.055 20 0 HIADLP Cn1ccc([C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2ccc(Cl)cc2)n1 ZINC000542697478 939855097 /nfs/dbraw/zinc/85/50/97/939855097.db2.gz MWTCPMHQJIIAGV-QHCPKHFHSA-N 2 2 424.980 4.200 20 0 HIADLP C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543109536 939950582 /nfs/dbraw/zinc/95/05/82/939950582.db2.gz UCWDOFFTQIMJQL-SXSPYAJSSA-N 2 2 420.041 4.314 20 0 HIADLP C[C@H](Cc1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543109536 939950587 /nfs/dbraw/zinc/95/05/87/939950587.db2.gz UCWDOFFTQIMJQL-SXSPYAJSSA-N 2 2 420.041 4.314 20 0 HIADLP Cc1cc([C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2cccnc2)ccc1F ZINC000543405625 940054319 /nfs/dbraw/zinc/05/43/19/940054319.db2.gz AVGHUHNVWVMSJF-SANMLTNESA-N 2 2 418.560 4.156 20 0 HIADLP Cc1cc([C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2cccnc2)ccc1F ZINC000543405625 940054322 /nfs/dbraw/zinc/05/43/22/940054322.db2.gz AVGHUHNVWVMSJF-SANMLTNESA-N 2 2 418.560 4.156 20 0 HIADLP C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000543866088 940216530 /nfs/dbraw/zinc/21/65/30/940216530.db2.gz FDPUAANUFAHCLP-FQEVSTJZSA-N 2 2 402.542 4.004 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccc(F)cc1 ZINC000544196012 940350495 /nfs/dbraw/zinc/35/04/95/940350495.db2.gz VMBWZQNRVSVZTR-KNQAVFIVSA-N 2 2 412.553 4.051 20 0 HIADLP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000544197808 940351516 /nfs/dbraw/zinc/35/15/16/940351516.db2.gz NWSJZBCLHWGOBE-QFIPXVFZSA-N 2 2 412.622 4.218 20 0 HIADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000544198853 940352223 /nfs/dbraw/zinc/35/22/23/940352223.db2.gz FJWKAQIXVHVXHC-GMAHTHKFSA-N 2 2 408.590 4.221 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)cc2)CC1 ZINC000544359523 940401097 /nfs/dbraw/zinc/40/10/97/940401097.db2.gz LKIJYFBIXYECSZ-AREMUKBSSA-N 2 2 418.560 4.237 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)cc1 ZINC000544424826 940423472 /nfs/dbraw/zinc/42/34/72/940423472.db2.gz LIWCDHZBHGKKAQ-APWZRJJASA-N 2 2 413.587 4.339 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)cc1 ZINC000544424826 940423480 /nfs/dbraw/zinc/42/34/80/940423480.db2.gz LIWCDHZBHGKKAQ-APWZRJJASA-N 2 2 413.587 4.339 20 0 HIADLP C[C@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000545866975 940644368 /nfs/dbraw/zinc/64/43/68/940644368.db2.gz IXQGZGIWHCWGCJ-GAJHUEQPSA-N 2 2 412.965 4.454 20 0 HIADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548931842 941130251 /nfs/dbraw/zinc/13/02/51/941130251.db2.gz DLVSHUARUPMHRT-IBGZPJMESA-N 2 2 420.022 4.250 20 0 HIADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548931842 941130252 /nfs/dbraw/zinc/13/02/52/941130252.db2.gz DLVSHUARUPMHRT-IBGZPJMESA-N 2 2 420.022 4.250 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000548931500 941130367 /nfs/dbraw/zinc/13/03/67/941130367.db2.gz OLLVHBFQWYPYFJ-FQEVSTJZSA-N 2 2 408.571 4.125 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000548931500 941130368 /nfs/dbraw/zinc/13/03/68/941130368.db2.gz OLLVHBFQWYPYFJ-FQEVSTJZSA-N 2 2 408.571 4.125 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000549167882 941167859 /nfs/dbraw/zinc/16/78/59/941167859.db2.gz XQAHGPGLGAYZHI-DNQXCXABSA-N 2 2 405.586 4.071 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000549167882 941167861 /nfs/dbraw/zinc/16/78/61/941167861.db2.gz XQAHGPGLGAYZHI-DNQXCXABSA-N 2 2 405.586 4.071 20 0 HIADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2Cl)CC1 ZINC000549453256 941191556 /nfs/dbraw/zinc/19/15/56/941191556.db2.gz XVDIHSVXLNZBJG-LJQANCHMSA-N 2 2 413.993 4.422 20 0 HIADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2Cl)CC1 ZINC000549453256 941191557 /nfs/dbraw/zinc/19/15/57/941191557.db2.gz XVDIHSVXLNZBJG-LJQANCHMSA-N 2 2 413.993 4.422 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000550996515 941392246 /nfs/dbraw/zinc/39/22/46/941392246.db2.gz QMLVYWZZCKVMQM-FJIJVGMHSA-N 3 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000550996515 941392249 /nfs/dbraw/zinc/39/22/49/941392249.db2.gz QMLVYWZZCKVMQM-FJIJVGMHSA-N 3 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H](c4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC000550996515 941392252 /nfs/dbraw/zinc/39/22/52/941392252.db2.gz QMLVYWZZCKVMQM-FJIJVGMHSA-N 2 2 407.602 4.221 20 0 HIADLP C[C@@H]1C[C@@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000553163139 941842876 /nfs/dbraw/zinc/84/28/76/941842876.db2.gz GNWNBHCUACKMGD-WTIAFYNJSA-N 2 2 402.542 4.101 20 0 HIADLP C[C@@H]1C[C@@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000553163139 941842877 /nfs/dbraw/zinc/84/28/77/941842877.db2.gz GNWNBHCUACKMGD-WTIAFYNJSA-N 2 2 402.542 4.101 20 0 HIADLP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+](CC)CC)cc1 ZINC000554452706 942149145 /nfs/dbraw/zinc/14/91/45/942149145.db2.gz FRBOREVAOWNXKT-NFBKMPQASA-N 2 2 410.606 4.400 20 0 HIADLP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+](CC)CC)cc1 ZINC000554452706 942149149 /nfs/dbraw/zinc/14/91/49/942149149.db2.gz FRBOREVAOWNXKT-NFBKMPQASA-N 2 2 410.606 4.400 20 0 HIADLP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)cs1 ZINC000556094364 942804687 /nfs/dbraw/zinc/80/46/87/942804687.db2.gz SKKIMXZIWZQUSS-GMAHTHKFSA-N 3 2 412.647 4.343 20 0 HIADLP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)cs1 ZINC000556094364 942804690 /nfs/dbraw/zinc/80/46/90/942804690.db2.gz SKKIMXZIWZQUSS-GMAHTHKFSA-N 3 2 412.647 4.343 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1=O ZINC000556224620 942821195 /nfs/dbraw/zinc/82/11/95/942821195.db2.gz OVHJBTUNTZDUQG-KUHDOKTFSA-N 2 2 409.549 4.303 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1=O ZINC000556224620 942821199 /nfs/dbraw/zinc/82/11/99/942821199.db2.gz OVHJBTUNTZDUQG-KUHDOKTFSA-N 2 2 409.549 4.303 20 0 HIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000556239855 942825134 /nfs/dbraw/zinc/82/51/34/942825134.db2.gz GDNKSRSPDXGAEZ-NBGIEHNGSA-N 2 2 416.565 4.432 20 0 HIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000556239855 942825135 /nfs/dbraw/zinc/82/51/35/942825135.db2.gz GDNKSRSPDXGAEZ-NBGIEHNGSA-N 2 2 416.565 4.432 20 0 HIADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000556499150 942885889 /nfs/dbraw/zinc/88/58/89/942885889.db2.gz AARMUDJQAQHXAT-ISJGIBHGSA-N 2 2 412.549 4.269 20 0 HIADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000556499150 942885890 /nfs/dbraw/zinc/88/58/90/942885890.db2.gz AARMUDJQAQHXAT-ISJGIBHGSA-N 2 2 412.549 4.269 20 0 HIADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000556499150 942885892 /nfs/dbraw/zinc/88/58/92/942885892.db2.gz AARMUDJQAQHXAT-ISJGIBHGSA-N 2 2 412.549 4.269 20 0 HIADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000556499150 942885893 /nfs/dbraw/zinc/88/58/93/942885893.db2.gz AARMUDJQAQHXAT-ISJGIBHGSA-N 2 2 412.549 4.269 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000557247386 943061029 /nfs/dbraw/zinc/06/10/29/943061029.db2.gz PJEVLXHLFFWMNJ-QRWLVFNGSA-N 2 2 422.411 4.329 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000559068386 943823101 /nfs/dbraw/zinc/82/31/01/943823101.db2.gz QSPNKDKNBYZDEX-AUSIDOKSSA-N 2 2 403.574 4.369 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000559068386 943823105 /nfs/dbraw/zinc/82/31/05/943823105.db2.gz QSPNKDKNBYZDEX-AUSIDOKSSA-N 2 2 403.574 4.369 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000559068386 943823109 /nfs/dbraw/zinc/82/31/09/943823109.db2.gz QSPNKDKNBYZDEX-AUSIDOKSSA-N 2 2 403.574 4.369 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000559068386 943823111 /nfs/dbraw/zinc/82/31/11/943823111.db2.gz QSPNKDKNBYZDEX-AUSIDOKSSA-N 2 2 403.574 4.369 20 0 HIADLP Ic1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000560289048 944220758 /nfs/dbraw/zinc/22/07/58/944220758.db2.gz SIHWVUVZGILWNP-INIZCTEOSA-N 2 2 421.326 4.204 20 0 HIADLP Ic1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000560289048 944220771 /nfs/dbraw/zinc/22/07/71/944220771.db2.gz SIHWVUVZGILWNP-INIZCTEOSA-N 2 2 421.326 4.204 20 0 HIADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccc(Br)cc4)s3)C2)C1 ZINC000560594033 944267243 /nfs/dbraw/zinc/26/72/43/944267243.db2.gz DUMJRCBWCFMZGX-LJQANCHMSA-N 2 2 406.393 4.490 20 0 HIADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(-c4ccc(Br)cc4)s3)C2)C1 ZINC000560594033 944267251 /nfs/dbraw/zinc/26/72/51/944267251.db2.gz DUMJRCBWCFMZGX-LJQANCHMSA-N 2 2 406.393 4.490 20 0 HIADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C2)C1 ZINC000560594033 944267259 /nfs/dbraw/zinc/26/72/59/944267259.db2.gz DUMJRCBWCFMZGX-LJQANCHMSA-N 2 2 406.393 4.490 20 0 HIADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C2)C1 ZINC000560594033 944267267 /nfs/dbraw/zinc/26/72/67/944267267.db2.gz DUMJRCBWCFMZGX-LJQANCHMSA-N 2 2 406.393 4.490 20 0 HIADLP CCc1ccc2occ(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000560599216 944269543 /nfs/dbraw/zinc/26/95/43/944269543.db2.gz REQUCGDCOFGJRF-DHIUTWEWSA-N 2 2 411.590 4.404 20 0 HIADLP CCc1ccc2occ(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000560599216 944269549 /nfs/dbraw/zinc/26/95/49/944269549.db2.gz REQUCGDCOFGJRF-DHIUTWEWSA-N 2 2 411.590 4.404 20 0 HIADLP Cc1ccc([C@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000561206890 944514597 /nfs/dbraw/zinc/51/45/97/944514597.db2.gz YMTYIHKHFYXQOU-GOTSBHOMSA-N 2 2 402.542 4.193 20 0 HIADLP CC(C)Oc1ccc([C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N(C)C)cc1 ZINC000562057568 944914803 /nfs/dbraw/zinc/91/48/03/944914803.db2.gz XJTFKDXWTHGIKM-AREMUKBSSA-N 2 2 409.618 4.373 20 0 HIADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ncc(CSC)s3)CC2)c1C ZINC000564110015 945382451 /nfs/dbraw/zinc/38/24/51/945382451.db2.gz ZZAYGRDOUVSUBO-UHFFFAOYSA-N 2 2 420.648 4.123 20 0 HIADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ncc(CSC)s3)CC2)c1C ZINC000564110015 945382459 /nfs/dbraw/zinc/38/24/59/945382459.db2.gz ZZAYGRDOUVSUBO-UHFFFAOYSA-N 2 2 420.648 4.123 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c2nccc(C)c2c1 ZINC000564672780 945722827 /nfs/dbraw/zinc/72/28/27/945722827.db2.gz DJKKTCUFTDHRSX-DNQXCXABSA-N 2 2 422.617 4.261 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2nccc(C)c2c1 ZINC000564672780 945722843 /nfs/dbraw/zinc/72/28/43/945722843.db2.gz DJKKTCUFTDHRSX-DNQXCXABSA-N 2 2 422.617 4.261 20 0 HIADLP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccco1 ZINC000564678467 945725576 /nfs/dbraw/zinc/72/55/76/945725576.db2.gz BMEZKXZRNIZRGN-HFSMHLIXSA-N 2 2 412.578 4.332 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N(C)[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000382 946211356 /nfs/dbraw/zinc/21/13/56/946211356.db2.gz YWTBQNVRCYCHNH-MOPGFXCFSA-N 2 2 417.594 4.169 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N(C)[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000382 946211368 /nfs/dbraw/zinc/21/13/68/946211368.db2.gz YWTBQNVRCYCHNH-MOPGFXCFSA-N 2 2 417.594 4.169 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000382 946211378 /nfs/dbraw/zinc/21/13/78/946211378.db2.gz YWTBQNVRCYCHNH-MOPGFXCFSA-N 2 2 417.594 4.169 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000382 946211394 /nfs/dbraw/zinc/21/13/94/946211394.db2.gz YWTBQNVRCYCHNH-MOPGFXCFSA-N 2 2 417.594 4.169 20 0 HIADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474080 946345701 /nfs/dbraw/zinc/34/57/01/946345701.db2.gz BJTLXQUTHPBQCD-TZIWHRDSSA-N 2 2 410.389 4.075 20 0 HIADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474080 946345719 /nfs/dbraw/zinc/34/57/19/946345719.db2.gz BJTLXQUTHPBQCD-TZIWHRDSSA-N 2 2 410.389 4.075 20 0 HIADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474080 946345734 /nfs/dbraw/zinc/34/57/34/946345734.db2.gz BJTLXQUTHPBQCD-TZIWHRDSSA-N 2 2 410.389 4.075 20 0 HIADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474080 946345749 /nfs/dbraw/zinc/34/57/49/946345749.db2.gz BJTLXQUTHPBQCD-TZIWHRDSSA-N 2 2 410.389 4.075 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000567973919 946435915 /nfs/dbraw/zinc/43/59/15/946435915.db2.gz CHVQPPVLLYFQKC-UYAOXDASSA-N 2 2 408.496 4.309 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000567973919 946435921 /nfs/dbraw/zinc/43/59/21/946435921.db2.gz CHVQPPVLLYFQKC-UYAOXDASSA-N 2 2 408.496 4.309 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000567973919 946435932 /nfs/dbraw/zinc/43/59/32/946435932.db2.gz CHVQPPVLLYFQKC-UYAOXDASSA-N 2 2 408.496 4.309 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000567973919 946435936 /nfs/dbraw/zinc/43/59/36/946435936.db2.gz CHVQPPVLLYFQKC-UYAOXDASSA-N 2 2 408.496 4.309 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000568419333 946536273 /nfs/dbraw/zinc/53/62/73/946536273.db2.gz DKXSCDMYRRPFCJ-AUSIDOKSSA-N 2 2 424.564 4.121 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000568419333 946536282 /nfs/dbraw/zinc/53/62/82/946536282.db2.gz DKXSCDMYRRPFCJ-AUSIDOKSSA-N 2 2 424.564 4.121 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000569055018 946811987 /nfs/dbraw/zinc/81/19/87/946811987.db2.gz WNIFSOSYGQJYNJ-FXAWDEMLSA-N 2 2 404.938 4.025 20 0 HIADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569837923 947016192 /nfs/dbraw/zinc/01/61/92/947016192.db2.gz MBPVAXRVFYYJMK-OYRHEFFESA-N 2 2 416.610 4.026 20 0 HIADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569837923 947016202 /nfs/dbraw/zinc/01/62/02/947016202.db2.gz MBPVAXRVFYYJMK-OYRHEFFESA-N 2 2 416.610 4.026 20 0 HIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(-c2ccc(F)cc2)s1 ZINC000570747075 947343930 /nfs/dbraw/zinc/34/39/30/947343930.db2.gz GDPWJXWEJUCDNY-FAXKSRBJSA-N 2 2 415.578 4.288 20 0 HIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(-c2ccc(F)cc2)s1 ZINC000570747075 947343944 /nfs/dbraw/zinc/34/39/44/947343944.db2.gz GDPWJXWEJUCDNY-FAXKSRBJSA-N 2 2 415.578 4.288 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](COC)c3cccc(Cl)c3F)cc2)CC1 ZINC000572164851 947853688 /nfs/dbraw/zinc/85/36/88/947853688.db2.gz BSVAWYGDYFLVIJ-QFIPXVFZSA-N 2 2 419.972 4.094 20 0 HIADLP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)c2)CC1 ZINC000572996341 948054538 /nfs/dbraw/zinc/05/45/38/948054538.db2.gz SQNPBOIJRSLZJQ-XMMPIXPASA-N 2 2 416.569 4.480 20 0 HIADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000573712237 948280684 /nfs/dbraw/zinc/28/06/84/948280684.db2.gz WSGZUTGXOSYYRZ-OAQYLSRUSA-N 2 2 415.541 4.132 20 0 HIADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000573712237 948280692 /nfs/dbraw/zinc/28/06/92/948280692.db2.gz WSGZUTGXOSYYRZ-OAQYLSRUSA-N 2 2 415.541 4.132 20 0 HIADLP Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164913482 721728884 /nfs/dbraw/zinc/72/88/84/721728884.db2.gz WEHXUVYQWHXWEZ-QFIPXVFZSA-N 2 2 415.532 4.215 20 0 HIADLP Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164913482 721728886 /nfs/dbraw/zinc/72/88/86/721728886.db2.gz WEHXUVYQWHXWEZ-QFIPXVFZSA-N 2 2 415.532 4.215 20 0 HIADLP COc1ccc2cc[nH+]c(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c2c1 ZINC001165023046 721842371 /nfs/dbraw/zinc/84/23/71/721842371.db2.gz WNZYLPBXBDEDLN-UHFFFAOYSA-N 2 2 421.541 4.361 20 0 HIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]ccc3c4c([nH]c32)CCC4)CC1 ZINC001165030938 721845134 /nfs/dbraw/zinc/84/51/34/721845134.db2.gz MNEVZVPXPCFAIH-UHFFFAOYSA-N 2 2 420.557 4.170 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436250682 861560969 /nfs/dbraw/zinc/56/09/69/861560969.db2.gz CZXHLUGYYJCJRQ-FXAWDEMLSA-N 2 2 412.883 4.331 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436250682 861560981 /nfs/dbraw/zinc/56/09/81/861560981.db2.gz CZXHLUGYYJCJRQ-FXAWDEMLSA-N 2 2 412.883 4.331 20 0 HIADLP CC[NH+](CC)CCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000013734462 845917234 /nfs/dbraw/zinc/91/72/34/845917234.db2.gz KOYAQRUNBCSRSG-UHFFFAOYSA-N 2 2 408.178 4.042 20 0 HIADLP c1cn(Cc2cccc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3cccnc3)c2)c[nH+]1 ZINC000030901955 847795593 /nfs/dbraw/zinc/79/55/93/847795593.db2.gz OJERRVOHBNUATP-UHFFFAOYSA-N 2 2 420.520 4.469 20 0 HIADLP Cc1cc(O)c(C(C)C)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436632178 861875828 /nfs/dbraw/zinc/87/58/28/861875828.db2.gz VRUNLBBZKKBJMD-GOTSBHOMSA-N 2 2 415.622 4.233 20 0 HIADLP Cc1cc(O)c(C(C)C)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436632178 861875829 /nfs/dbraw/zinc/87/58/29/861875829.db2.gz VRUNLBBZKKBJMD-GOTSBHOMSA-N 2 2 415.622 4.233 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CC(C)(C)C)c3ccccc3)CC2)CC1 ZINC000051760651 849513354 /nfs/dbraw/zinc/51/33/54/849513354.db2.gz GXPYXPNBFRFOFL-JOCHJYFZSA-N 2 2 400.611 4.022 20 0 HIADLP CC[NH+](CC)C1CC[NH+](C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000052049878 849545011 /nfs/dbraw/zinc/54/50/11/849545011.db2.gz NBKCAOQIMXJYKN-FTJBHMTQSA-N 2 2 410.602 4.268 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1C ZINC000060566812 851151180 /nfs/dbraw/zinc/15/11/80/851151180.db2.gz ZLDYOJITQJEVQH-UHFFFAOYSA-N 2 2 424.589 4.425 20 0 HIADLP COc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000060831240 851226226 /nfs/dbraw/zinc/22/62/26/851226226.db2.gz FNCJCDBQBGIBSH-UHFFFAOYSA-N 2 2 405.420 4.279 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000065890504 852304782 /nfs/dbraw/zinc/30/47/82/852304782.db2.gz AXWDFNTXGKIIMK-UHFFFAOYSA-N 2 2 414.509 4.204 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000065890046 852305070 /nfs/dbraw/zinc/30/50/70/852305070.db2.gz JUWUBVWBZOQNEK-UHFFFAOYSA-N 2 2 414.509 4.204 20 0 HIADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ncc(Br)cc1Br ZINC000135292714 853373697 /nfs/dbraw/zinc/37/36/97/853373697.db2.gz LPRAEVGJFBJYDS-AWEZNQCLSA-N 2 2 416.161 4.008 20 0 HIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(I)cc1 ZINC000195616216 853716259 /nfs/dbraw/zinc/71/62/59/853716259.db2.gz QDUXCYYTUFCNIW-CQSZACIVSA-N 2 2 407.299 4.006 20 0 HIADLP c1cn(-c2ccccc2C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c[nH+]1 ZINC000236581311 853899920 /nfs/dbraw/zinc/89/99/20/853899920.db2.gz JOUCNIIXFOTSMR-UHFFFAOYSA-N 2 2 420.520 4.469 20 0 HIADLP Brc1cccc(-c2c[nH]c(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)n2)c1 ZINC000236664552 853909470 /nfs/dbraw/zinc/90/94/70/853909470.db2.gz NLKPSQBPJDKJKK-UHFFFAOYSA-N 2 2 422.330 4.374 20 0 HIADLP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000237063849 853959145 /nfs/dbraw/zinc/95/91/45/853959145.db2.gz KVURKENCFWLKMJ-UHFFFAOYSA-N 2 2 404.892 4.464 20 0 HIADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000237076864 853961004 /nfs/dbraw/zinc/96/10/04/853961004.db2.gz MFZVHQNLCJAAMA-VWLOTQADSA-N 2 2 410.521 4.236 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccc(Br)c2)CC1 ZINC000237236107 853987575 /nfs/dbraw/zinc/98/75/75/853987575.db2.gz KTZJIEFBBHSTIU-UHFFFAOYSA-N 2 2 408.771 4.144 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000301118476 854302355 /nfs/dbraw/zinc/30/23/55/854302355.db2.gz PMSKKQXWCWYLTN-OALUTQOASA-N 2 2 407.587 4.459 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000301118476 854302366 /nfs/dbraw/zinc/30/23/66/854302366.db2.gz PMSKKQXWCWYLTN-OALUTQOASA-N 2 2 407.587 4.459 20 0 HIADLP CCN1CC[NH+]([C@H]2CCN(c3cc[nH+]c4ccc(Oc5ccccc5)cc43)C2)CC1 ZINC000302914437 854677516 /nfs/dbraw/zinc/67/75/16/854677516.db2.gz VDWAXQTTXQVFCD-FQEVSTJZSA-N 2 2 402.542 4.243 20 0 HIADLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000303164387 854795492 /nfs/dbraw/zinc/79/54/92/854795492.db2.gz HQKRXKIJNXCQNR-UHFFFAOYSA-N 2 2 403.876 4.105 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000303709657 855144714 /nfs/dbraw/zinc/14/47/14/855144714.db2.gz PPAMPGVPEMLXNW-UHFFFAOYSA-N 2 2 416.569 4.330 20 0 HIADLP Cc1c(O)ccc2c(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc12 ZINC000303758532 855178319 /nfs/dbraw/zinc/17/83/19/855178319.db2.gz NTLMNSLFRMFGBJ-UWJYYQICSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1c(O)ccc2c(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc12 ZINC000303758532 855178325 /nfs/dbraw/zinc/17/83/25/855178325.db2.gz NTLMNSLFRMFGBJ-UWJYYQICSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1c(O)ccc2c(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc12 ZINC000303758532 855178331 /nfs/dbraw/zinc/17/83/31/855178331.db2.gz NTLMNSLFRMFGBJ-UWJYYQICSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1c(O)ccc2c(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc12 ZINC000303758532 855178336 /nfs/dbraw/zinc/17/83/36/855178336.db2.gz NTLMNSLFRMFGBJ-UWJYYQICSA-N 2 2 406.526 4.292 20 0 HIADLP C[NH+]1CCC(CNC(=O)CC(c2ccccc2)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000303927119 855296346 /nfs/dbraw/zinc/29/63/46/855296346.db2.gz ABYJQUUBJFUQPP-UHFFFAOYSA-N 2 2 419.613 4.275 20 0 HIADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390862975 855457079 /nfs/dbraw/zinc/45/70/79/855457079.db2.gz LVCAIGGPVZYPFD-AVRDEDQJSA-N 2 2 417.391 4.261 20 0 HIADLP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390862975 855457084 /nfs/dbraw/zinc/45/70/84/855457084.db2.gz LVCAIGGPVZYPFD-AVRDEDQJSA-N 2 2 417.391 4.261 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410253591 855882603 /nfs/dbraw/zinc/88/26/03/855882603.db2.gz CWEUAJHGXYGSNX-KRWDZBQOSA-N 2 2 406.530 4.047 20 0 HIADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410262549 855887933 /nfs/dbraw/zinc/88/79/33/855887933.db2.gz DXDNVODYIBUPJK-QFIPXVFZSA-N 2 2 406.574 4.225 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000410411423 855982286 /nfs/dbraw/zinc/98/22/86/855982286.db2.gz OUUIRGZYYDJUIU-OYRHEFFESA-N 2 2 416.569 4.339 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000410411423 855982296 /nfs/dbraw/zinc/98/22/96/855982296.db2.gz OUUIRGZYYDJUIU-OYRHEFFESA-N 2 2 416.569 4.339 20 0 HIADLP Cc1nc([C@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@@H]2c2csc(C)n2)cs1 ZINC000426741033 856445504 /nfs/dbraw/zinc/44/55/04/856445504.db2.gz CXFDDWNZBZXUQM-WOJBJXKFSA-N 2 2 406.621 4.207 20 0 HIADLP Cc1nc([C@H]2CCC[NH+]2CCOCC[N@@H+]2CCC[C@@H]2c2csc(C)n2)cs1 ZINC000426741033 856445508 /nfs/dbraw/zinc/44/55/08/856445508.db2.gz CXFDDWNZBZXUQM-WOJBJXKFSA-N 2 2 406.621 4.207 20 0 HIADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000426789989 856479115 /nfs/dbraw/zinc/47/91/15/856479115.db2.gz ZJYMYRPGNQZVDD-OTWHNJEPSA-N 2 2 422.013 4.187 20 0 HIADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000426789989 856479119 /nfs/dbraw/zinc/47/91/19/856479119.db2.gz ZJYMYRPGNQZVDD-OTWHNJEPSA-N 2 2 422.013 4.187 20 0 HIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ncc(Br)cc1F ZINC000427716804 856920977 /nfs/dbraw/zinc/92/09/77/856920977.db2.gz BKSMNKRVHCAPFN-WBVHZDCISA-N 2 2 406.343 4.198 20 0 HIADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ncc(Br)cc1F ZINC000427716804 856920983 /nfs/dbraw/zinc/92/09/83/856920983.db2.gz BKSMNKRVHCAPFN-WBVHZDCISA-N 2 2 406.343 4.198 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCCc4ncc(C(F)(F)F)cc43)[nH+]c2)C1 ZINC000427859535 856985097 /nfs/dbraw/zinc/98/50/97/856985097.db2.gz OKLSBQFQBDJWTM-APWZRJJASA-N 2 2 405.468 4.125 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(C[NH+]4CCCC4)ccc3C)cn2c1 ZINC000428383691 857184320 /nfs/dbraw/zinc/18/43/20/857184320.db2.gz AOEOLNTXFMCCRP-UHFFFAOYSA-N 2 2 408.571 4.419 20 0 HIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000428767043 857326235 /nfs/dbraw/zinc/32/62/35/857326235.db2.gz JNJHLVWQZZFMFZ-PMACEKPBSA-N 2 2 423.605 4.039 20 0 HIADLP CCC(C)(C)OCc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000428794680 857343760 /nfs/dbraw/zinc/34/37/60/857343760.db2.gz SWESRCWZDNRLLQ-UHFFFAOYSA-N 2 2 418.626 4.190 20 0 HIADLP CCC(C)(C)OCc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000428794680 857343765 /nfs/dbraw/zinc/34/37/65/857343765.db2.gz SWESRCWZDNRLLQ-UHFFFAOYSA-N 2 2 418.626 4.190 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000429231984 857565808 /nfs/dbraw/zinc/56/58/08/857565808.db2.gz JBACIZQFFOBZIN-HNNXBMFYSA-N 2 2 412.607 4.069 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000429231984 857565820 /nfs/dbraw/zinc/56/58/20/857565820.db2.gz JBACIZQFFOBZIN-HNNXBMFYSA-N 2 2 412.607 4.069 20 0 HIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000430122498 858041144 /nfs/dbraw/zinc/04/11/44/858041144.db2.gz IBQKRMUWOKFVMV-XMCHAPAWSA-N 2 2 413.375 4.254 20 0 HIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CO)c3ccc(Br)c(F)c3)CC2)C1 ZINC000430154263 858054792 /nfs/dbraw/zinc/05/47/92/858054792.db2.gz ZMKBCSWGCYUYFG-ZTQAJYAQSA-N 2 2 413.375 4.254 20 0 HIADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CO)c3ccc(Br)c(F)c3)CC2)C1 ZINC000430154262 858054986 /nfs/dbraw/zinc/05/49/86/858054986.db2.gz ZMKBCSWGCYUYFG-WIBUTAKZSA-N 2 2 413.375 4.254 20 0 HIADLP C[C@@H](CCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[NH+]1CCCCC1 ZINC000430883088 858353435 /nfs/dbraw/zinc/35/34/35/858353435.db2.gz BFXCWDQHGXXEGW-IBGZPJMESA-N 2 2 417.985 4.013 20 0 HIADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000431349206 858574171 /nfs/dbraw/zinc/57/41/71/858574171.db2.gz KWTOLBNSCURMIA-QFIPXVFZSA-N 2 2 400.950 4.484 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000431739390 858777720 /nfs/dbraw/zinc/77/77/20/858777720.db2.gz ZOAYKPLCJYURBQ-NRFANRHFSA-N 2 2 416.569 4.165 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000431739390 858777728 /nfs/dbraw/zinc/77/77/28/858777728.db2.gz ZOAYKPLCJYURBQ-NRFANRHFSA-N 2 2 416.569 4.165 20 0 HIADLP Cc1ccc(-c2ccc(C)c(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)o1 ZINC000432997214 859470400 /nfs/dbraw/zinc/47/04/00/859470400.db2.gz WPNMJJSJRBBZPR-UHFFFAOYSA-N 2 2 410.562 4.244 20 0 HIADLP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(F)cc1Cl ZINC000433176629 859555600 /nfs/dbraw/zinc/55/56/00/859555600.db2.gz QYMYJQMUYNCMAY-UHFFFAOYSA-N 2 2 415.940 4.406 20 0 HIADLP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(F)cc1Cl ZINC000433176629 859555611 /nfs/dbraw/zinc/55/56/11/859555611.db2.gz QYMYJQMUYNCMAY-UHFFFAOYSA-N 2 2 415.940 4.406 20 0 HIADLP CCC(CC)[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+]1CCCC1 ZINC000433993759 860024418 /nfs/dbraw/zinc/02/44/18/860024418.db2.gz OYDSVRCMUALUDW-JOCHJYFZSA-N 2 2 415.626 4.009 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434003127 860031826 /nfs/dbraw/zinc/03/18/26/860031826.db2.gz RLLBFFWAWYIBBG-QHCPKHFHSA-N 2 2 423.605 4.192 20 0 HIADLP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1Br ZINC000434676348 860454965 /nfs/dbraw/zinc/45/49/65/860454965.db2.gz QGIPVVYAWNAEIA-UHFFFAOYSA-N 2 2 404.352 4.370 20 0 HIADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434682877 860458505 /nfs/dbraw/zinc/45/85/05/860458505.db2.gz BIPXRBGOCWFYOG-OAHLLOKOSA-N 2 2 420.479 4.445 20 0 HIADLP CCCn1ccc2ccc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)cc21 ZINC000438285404 863760478 /nfs/dbraw/zinc/76/04/78/863760478.db2.gz ROMRHNLKDFXBJP-UHFFFAOYSA-N 2 2 411.594 4.123 20 0 HIADLP C[C@H](Oc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000438504544 863924776 /nfs/dbraw/zinc/92/47/76/863924776.db2.gz WRPIKCQAFKNUFZ-FQEVSTJZSA-N 2 2 424.589 4.316 20 0 HIADLP C[C@H](Oc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000438504544 863924803 /nfs/dbraw/zinc/92/48/03/863924803.db2.gz WRPIKCQAFKNUFZ-FQEVSTJZSA-N 2 2 424.589 4.316 20 0 HIADLP C[N@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440462492 865765487 /nfs/dbraw/zinc/76/54/87/865765487.db2.gz WETXWGPHWZQOET-AOYPEHQESA-N 2 2 408.586 4.038 20 0 HIADLP C[N@@H+](C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440462492 865765501 /nfs/dbraw/zinc/76/55/01/865765501.db2.gz WETXWGPHWZQOET-AOYPEHQESA-N 2 2 408.586 4.038 20 0 HIADLP c1cc([C@@H]2C[NH+](CCCCC[N@@H+]3CCO[C@H](c4ccsc4)C3)CCO2)cs1 ZINC000468130087 881972760 /nfs/dbraw/zinc/97/27/60/881972760.db2.gz NEJSLGWWALHPTQ-SFTDATJTSA-N 2 2 406.617 4.427 20 0 HIADLP c1cc([C@@H]2C[NH+](CCCCC[N@H+]3CCO[C@H](c4ccsc4)C3)CCO2)cs1 ZINC000468130087 881972796 /nfs/dbraw/zinc/97/27/96/881972796.db2.gz NEJSLGWWALHPTQ-SFTDATJTSA-N 2 2 406.617 4.427 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c(C)c1 ZINC000441368512 866437970 /nfs/dbraw/zinc/43/79/70/866437970.db2.gz BIQIWAXYQMZWRT-DPLHUUCSSA-N 2 2 404.558 4.139 20 0 HIADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441377635 866446446 /nfs/dbraw/zinc/44/64/46/866446446.db2.gz MCCQDVBWDZJWJB-WZONZLPQSA-N 2 2 404.514 4.061 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N(C)Cc2cccc(F)c2)c(C)c1 ZINC000441381496 866452272 /nfs/dbraw/zinc/45/22/72/866452272.db2.gz ISWHFNLFFQQLNH-WMZHIEFXSA-N 2 2 408.521 4.017 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441382407 866454177 /nfs/dbraw/zinc/45/41/77/866454177.db2.gz UDPJDRQHUFOJKO-KNQAVFIVSA-N 2 2 406.530 4.175 20 0 HIADLP Brc1ccc(-c2nccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000441904478 866968688 /nfs/dbraw/zinc/96/86/88/866968688.db2.gz XPCJUQQRHXZLGN-FQEVSTJZSA-N 2 2 415.379 4.356 20 0 HIADLP Brc1ccc(-c2nccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)n2)cc1 ZINC000441904478 866968705 /nfs/dbraw/zinc/96/87/05/866968705.db2.gz XPCJUQQRHXZLGN-FQEVSTJZSA-N 2 2 415.379 4.356 20 0 HIADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000468205450 882085614 /nfs/dbraw/zinc/08/56/14/882085614.db2.gz HYZGSTWFBCWDKA-DEOSSOPVSA-N 2 2 417.553 4.235 20 0 HIADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3nc(C4CCCCC4)cs3)CC2)C[C@H](C)O1 ZINC000444688171 868958207 /nfs/dbraw/zinc/95/82/07/868958207.db2.gz IPGDTAREYAUUAH-OALUTQOASA-N 2 2 421.651 4.281 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000444790346 869006933 /nfs/dbraw/zinc/00/69/33/869006933.db2.gz HXNZLIQYHFMSAD-AWEZNQCLSA-N 2 2 401.308 4.217 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000444790346 869006945 /nfs/dbraw/zinc/00/69/45/869006945.db2.gz HXNZLIQYHFMSAD-AWEZNQCLSA-N 2 2 401.308 4.217 20 0 HIADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444806487 869018557 /nfs/dbraw/zinc/01/85/57/869018557.db2.gz ULKROHKNBIPTTR-DZGCQCFKSA-N 2 2 405.424 4.430 20 0 HIADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444806487 869018570 /nfs/dbraw/zinc/01/85/70/869018570.db2.gz ULKROHKNBIPTTR-DZGCQCFKSA-N 2 2 405.424 4.430 20 0 HIADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000445212471 869277772 /nfs/dbraw/zinc/27/77/72/869277772.db2.gz MDCXGNINHJKPIY-JOCHJYFZSA-N 2 2 411.594 4.131 20 0 HIADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000445212471 869277777 /nfs/dbraw/zinc/27/77/77/869277777.db2.gz MDCXGNINHJKPIY-JOCHJYFZSA-N 2 2 411.594 4.131 20 0 HIADLP COc1cc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000446353013 870261845 /nfs/dbraw/zinc/26/18/45/870261845.db2.gz LWKLYWDUAZUPPY-FCHUYYIVSA-N 2 2 416.610 4.113 20 0 HIADLP COc1cc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000446353013 870261863 /nfs/dbraw/zinc/26/18/63/870261863.db2.gz LWKLYWDUAZUPPY-FCHUYYIVSA-N 2 2 416.610 4.113 20 0 HIADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000446924173 870838016 /nfs/dbraw/zinc/83/80/16/870838016.db2.gz DFBRJTDEEVCTAE-IBGZPJMESA-N 2 2 405.995 4.248 20 0 HIADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000446924173 870838021 /nfs/dbraw/zinc/83/80/21/870838021.db2.gz DFBRJTDEEVCTAE-IBGZPJMESA-N 2 2 405.995 4.248 20 0 HIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)cc1F ZINC000446937770 870848490 /nfs/dbraw/zinc/84/84/90/870848490.db2.gz SWBGJEDBLLHRHO-XJKSGUPXSA-N 2 2 407.331 4.297 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000447566425 871461543 /nfs/dbraw/zinc/46/15/43/871461543.db2.gz SXCBXBQFGKWWGZ-AWEZNQCLSA-N 2 2 423.460 4.145 20 0 HIADLP Cc1cccc(C2(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)CCCCC2)c1 ZINC000460482360 873168428 /nfs/dbraw/zinc/16/84/28/873168428.db2.gz DBTFNSXZCYOVNA-UHFFFAOYSA-N 2 2 411.634 4.263 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1nnnn1C1CCCCC1 ZINC000468895763 882945261 /nfs/dbraw/zinc/94/52/61/882945261.db2.gz GORGSPPSCXUFIG-SFHVURJKSA-N 2 2 408.550 4.254 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1nnnn1C1CCCCC1 ZINC000468895763 882945287 /nfs/dbraw/zinc/94/52/87/882945287.db2.gz GORGSPPSCXUFIG-SFHVURJKSA-N 2 2 408.550 4.254 20 0 HIADLP Cc1[nH+]cn(-c2ccc(NC(=O)CCC[NH+]3CCN(c4ccccc4)CC3)cc2)c1C ZINC000462768426 875828542 /nfs/dbraw/zinc/82/85/42/875828542.db2.gz NGNIKORGLNDNFA-UHFFFAOYSA-N 2 2 417.557 4.030 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000462788931 875841553 /nfs/dbraw/zinc/84/15/53/875841553.db2.gz HTRXGHASRNYELT-IBGZPJMESA-N 2 2 410.558 4.430 20 0 HIADLP CC[N@H+](Cc1cn(C)nc1C(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000462960962 875975109 /nfs/dbraw/zinc/97/51/09/875975109.db2.gz XVVRUBICLURACY-UHFFFAOYSA-N 2 2 406.525 4.070 20 0 HIADLP CC[N@@H+](Cc1cn(C)nc1C(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000462960962 875975117 /nfs/dbraw/zinc/97/51/17/875975117.db2.gz XVVRUBICLURACY-UHFFFAOYSA-N 2 2 406.525 4.070 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn3cc(Br)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000463074037 876106003 /nfs/dbraw/zinc/10/60/03/876106003.db2.gz NVFMCZAVLFSPGV-APWZRJJASA-N 2 2 413.363 4.240 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn3cc(Br)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000463074037 876106010 /nfs/dbraw/zinc/10/60/10/876106010.db2.gz NVFMCZAVLFSPGV-APWZRJJASA-N 2 2 413.363 4.240 20 0 HIADLP CCOc1c(OC)cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1OC ZINC000463108599 876146768 /nfs/dbraw/zinc/14/67/68/876146768.db2.gz GVDSQFFLINLDTD-UHFFFAOYSA-N 2 2 416.537 4.038 20 0 HIADLP CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463113046 876151369 /nfs/dbraw/zinc/15/13/69/876151369.db2.gz BFAKKIYVDRXRJB-LJQANCHMSA-N 2 2 411.565 4.151 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000463116900 876157680 /nfs/dbraw/zinc/15/76/80/876157680.db2.gz QJKBBKVURLFPSQ-HFMPRLQTSA-N 3 2 424.608 4.281 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000463116900 876157692 /nfs/dbraw/zinc/15/76/92/876157692.db2.gz QJKBBKVURLFPSQ-HFMPRLQTSA-N 3 2 424.608 4.281 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N1CCCC1 ZINC000463136381 876185127 /nfs/dbraw/zinc/18/51/27/876185127.db2.gz DJMDGDSBGUFQEW-RSEQLOHWSA-N 2 2 407.602 4.475 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N1CCCC1 ZINC000463136381 876185139 /nfs/dbraw/zinc/18/51/39/876185139.db2.gz DJMDGDSBGUFQEW-RSEQLOHWSA-N 2 2 407.602 4.475 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000463243298 876299292 /nfs/dbraw/zinc/29/92/92/876299292.db2.gz OGCQECAHUROLFN-YVWKXTFCSA-N 2 2 408.464 4.261 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000463243298 876299300 /nfs/dbraw/zinc/29/93/00/876299300.db2.gz OGCQECAHUROLFN-YVWKXTFCSA-N 2 2 408.464 4.261 20 0 HIADLP C[NH+](C)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1cccc(C(F)(F)F)c1 ZINC000463275919 876333139 /nfs/dbraw/zinc/33/31/39/876333139.db2.gz XFYRURASLUADDI-KRWDZBQOSA-N 2 2 411.434 4.315 20 0 HIADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(-n2cc(Cl)cn2)n1 ZINC000463280391 876337949 /nfs/dbraw/zinc/33/79/49/876337949.db2.gz MABNERYGCIRTCG-UHFFFAOYSA-N 2 2 409.965 4.026 20 0 HIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Br)cc(Br)c2N)CC1 ZINC000463295687 876356165 /nfs/dbraw/zinc/35/61/65/876356165.db2.gz OCHWAZCLZPLYFE-UHFFFAOYSA-N 2 2 419.205 4.098 20 0 HIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Br)cc(Br)c2N)CC1 ZINC000463295687 876356174 /nfs/dbraw/zinc/35/61/74/876356174.db2.gz OCHWAZCLZPLYFE-UHFFFAOYSA-N 2 2 419.205 4.098 20 0 HIADLP CC[N@@H+](CC(=O)Nc1cccc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801564 878043615 /nfs/dbraw/zinc/04/36/15/878043615.db2.gz HGTLUHDWZYRLBY-UHFFFAOYSA-N 2 2 402.542 4.412 20 0 HIADLP CC[N@H+](CC(=O)Nc1cccc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464801564 878043635 /nfs/dbraw/zinc/04/36/35/878043635.db2.gz HGTLUHDWZYRLBY-UHFFFAOYSA-N 2 2 402.542 4.412 20 0 HIADLP CC[N@@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803769 878048334 /nfs/dbraw/zinc/04/83/34/878048334.db2.gz ACGFCOLDMOPGNO-OAQYLSRUSA-N 2 2 408.590 4.114 20 0 HIADLP CC[N@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464803769 878048353 /nfs/dbraw/zinc/04/83/53/878048353.db2.gz ACGFCOLDMOPGNO-OAQYLSRUSA-N 2 2 408.590 4.114 20 0 HIADLP CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806525 878052658 /nfs/dbraw/zinc/05/26/58/878052658.db2.gz DIBKSTJVQNOXGA-GOSISDBHSA-N 2 2 414.981 4.151 20 0 HIADLP CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806525 878052675 /nfs/dbraw/zinc/05/26/75/878052675.db2.gz DIBKSTJVQNOXGA-GOSISDBHSA-N 2 2 414.981 4.151 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808009 878056471 /nfs/dbraw/zinc/05/64/71/878056471.db2.gz VGBIWGQZBMWVQR-UHFFFAOYSA-N 2 2 400.954 4.220 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808009 878056489 /nfs/dbraw/zinc/05/64/89/878056489.db2.gz VGBIWGQZBMWVQR-UHFFFAOYSA-N 2 2 400.954 4.220 20 0 HIADLP CC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809137 878057839 /nfs/dbraw/zinc/05/78/39/878057839.db2.gz ZFFFYUOGCKKPPX-UHFFFAOYSA-N 2 2 406.530 4.484 20 0 HIADLP CC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809137 878057857 /nfs/dbraw/zinc/05/78/57/878057857.db2.gz ZFFFYUOGCKKPPX-UHFFFAOYSA-N 2 2 406.530 4.484 20 0 HIADLP CCN(C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000464843581 878114519 /nfs/dbraw/zinc/11/45/19/878114519.db2.gz WHJWDHXROCZLCA-UNMCSNQZSA-N 2 2 411.565 4.189 20 0 HIADLP CCN(C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000464843581 878114533 /nfs/dbraw/zinc/11/45/33/878114533.db2.gz WHJWDHXROCZLCA-UNMCSNQZSA-N 2 2 411.565 4.189 20 0 HIADLP CCN(C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000464843581 878114551 /nfs/dbraw/zinc/11/45/51/878114551.db2.gz WHJWDHXROCZLCA-UNMCSNQZSA-N 2 2 411.565 4.189 20 0 HIADLP CCN(C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000464843581 878114589 /nfs/dbraw/zinc/11/45/89/878114589.db2.gz WHJWDHXROCZLCA-UNMCSNQZSA-N 2 2 411.565 4.189 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464848697 878122572 /nfs/dbraw/zinc/12/25/72/878122572.db2.gz XHGZUSRBRPMRQB-CTNGQTDRSA-N 2 2 413.993 4.313 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464848697 878122579 /nfs/dbraw/zinc/12/25/79/878122579.db2.gz XHGZUSRBRPMRQB-CTNGQTDRSA-N 2 2 413.993 4.313 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464848697 878122582 /nfs/dbraw/zinc/12/25/82/878122582.db2.gz XHGZUSRBRPMRQB-CTNGQTDRSA-N 2 2 413.993 4.313 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464848697 878122586 /nfs/dbraw/zinc/12/25/86/878122586.db2.gz XHGZUSRBRPMRQB-CTNGQTDRSA-N 2 2 413.993 4.313 20 0 HIADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503375221 912357927 /nfs/dbraw/zinc/35/79/27/912357927.db2.gz KLERLACVVFZCBL-WPYKKVEZSA-N 2 2 408.590 4.445 20 0 HIADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503375221 912357952 /nfs/dbraw/zinc/35/79/52/912357952.db2.gz KLERLACVVFZCBL-WPYKKVEZSA-N 2 2 408.590 4.445 20 0 HIADLP Brc1cccc(OCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503387315 912369188 /nfs/dbraw/zinc/36/91/88/912369188.db2.gz ACQZBLQSNFLXQT-INIZCTEOSA-N 2 2 404.352 4.240 20 0 HIADLP Brc1cccc(OCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503387315 912369207 /nfs/dbraw/zinc/36/92/07/912369207.db2.gz ACQZBLQSNFLXQT-INIZCTEOSA-N 2 2 404.352 4.240 20 0 HIADLP Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)nc(N)c2c1C ZINC000503389904 912373471 /nfs/dbraw/zinc/37/34/71/912373471.db2.gz INDLNPNYBIJIEB-ZBFHGGJFSA-N 2 2 410.591 4.364 20 0 HIADLP Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)nc(N)c2c1C ZINC000503389904 912373488 /nfs/dbraw/zinc/37/34/88/912373488.db2.gz INDLNPNYBIJIEB-ZBFHGGJFSA-N 2 2 410.591 4.364 20 0 HIADLP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402620 912381766 /nfs/dbraw/zinc/38/17/66/912381766.db2.gz BOLFEUFWIBPKMJ-QAPCUYQASA-N 2 2 424.372 4.146 20 0 HIADLP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402620 912381786 /nfs/dbraw/zinc/38/17/86/912381786.db2.gz BOLFEUFWIBPKMJ-QAPCUYQASA-N 2 2 424.372 4.146 20 0 HIADLP O[C@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503409309 912389995 /nfs/dbraw/zinc/38/99/95/912389995.db2.gz JOXVAMQUXGRDNZ-PKOBYXMFSA-N 2 2 407.480 4.021 20 0 HIADLP O[C@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503409309 912390016 /nfs/dbraw/zinc/39/00/16/912390016.db2.gz JOXVAMQUXGRDNZ-PKOBYXMFSA-N 2 2 407.480 4.021 20 0 HIADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503416599 912403006 /nfs/dbraw/zinc/40/30/06/912403006.db2.gz RKTWALIPNSWAMA-CRAIPNDOSA-N 2 2 424.372 4.146 20 0 HIADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503416599 912403034 /nfs/dbraw/zinc/40/30/34/912403034.db2.gz RKTWALIPNSWAMA-CRAIPNDOSA-N 2 2 424.372 4.146 20 0 HIADLP C[NH+]1CCC(CNC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000465666773 879200827 /nfs/dbraw/zinc/20/08/27/879200827.db2.gz RWWHYLITYZRETF-OAQYLSRUSA-N 2 2 418.601 4.162 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3ccccc3)C3CCCCC3)CC2)CC1 ZINC000465822890 879452025 /nfs/dbraw/zinc/45/20/25/879452025.db2.gz ZXXPKFUUBGTELG-UHFFFAOYSA-N 2 2 412.622 4.090 20 0 HIADLP Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000466139187 879849800 /nfs/dbraw/zinc/84/98/00/879849800.db2.gz AYPAIZOWMQFOSF-TZIWHRDSSA-N 2 2 416.610 4.021 20 0 HIADLP C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467156491 880890198 /nfs/dbraw/zinc/89/01/98/880890198.db2.gz ADNONMAABNJNFQ-INIZCTEOSA-N 2 2 410.518 4.048 20 0 HIADLP COc1cccc([C@H](C)CCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000469129340 883225058 /nfs/dbraw/zinc/22/50/58/883225058.db2.gz SGEAALJAOSOTLH-OAQYLSRUSA-N 2 2 415.622 4.036 20 0 HIADLP C[N@H+](Cc1ccccc1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000469190943 883291542 /nfs/dbraw/zinc/29/15/42/883291542.db2.gz MTLXFBFHLFULGF-DEOSSOPVSA-N 2 2 422.573 4.209 20 0 HIADLP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)C1CCCCC1 ZINC000469190943 883291562 /nfs/dbraw/zinc/29/15/62/883291562.db2.gz MTLXFBFHLFULGF-DEOSSOPVSA-N 2 2 422.573 4.209 20 0 HIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(-c3cccc(OC)c3)n2)[C@@H](C)C1 ZINC000469761471 883927891 /nfs/dbraw/zinc/92/78/91/883927891.db2.gz ADQIXSURWROBPB-LAUBAEHRSA-N 2 2 403.592 4.045 20 0 HIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2csc(-c3cccc(OC)c3)n2)[C@@H](C)C1 ZINC000469761471 883927907 /nfs/dbraw/zinc/92/79/07/883927907.db2.gz ADQIXSURWROBPB-LAUBAEHRSA-N 2 2 403.592 4.045 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(c2ccccc2)C2CCCCC2)[C@@H](C)C1 ZINC000469788408 883962173 /nfs/dbraw/zinc/96/21/73/883962173.db2.gz AQFRYWMZSNGMJK-URXFXBBRSA-N 2 2 415.622 4.079 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(c2ccccc2)C2CCCCC2)[C@@H](C)C1 ZINC000469788408 883962191 /nfs/dbraw/zinc/96/21/91/883962191.db2.gz AQFRYWMZSNGMJK-URXFXBBRSA-N 2 2 415.622 4.079 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)c1 ZINC000469869268 884059920 /nfs/dbraw/zinc/05/99/20/884059920.db2.gz DVZQOFXCZBZMJY-UHFFFAOYSA-N 2 2 404.514 4.216 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c1 ZINC000470118782 884379643 /nfs/dbraw/zinc/37/96/43/884379643.db2.gz CAQFSZJIASCOMK-IBGZPJMESA-N 2 2 404.514 4.154 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)c1 ZINC000470118782 884379661 /nfs/dbraw/zinc/37/96/61/884379661.db2.gz CAQFSZJIASCOMK-IBGZPJMESA-N 2 2 404.514 4.154 20 0 HIADLP C[N@H+](CCC(=O)Nc1cccc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471184550 885752317 /nfs/dbraw/zinc/75/23/17/885752317.db2.gz CRECFWZXCHVZGS-UHFFFAOYSA-N 2 2 416.569 4.202 20 0 HIADLP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471184550 885752328 /nfs/dbraw/zinc/75/23/28/885752328.db2.gz CRECFWZXCHVZGS-UHFFFAOYSA-N 2 2 416.569 4.202 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H]1c1ccccc1 ZINC000471939711 886738696 /nfs/dbraw/zinc/73/86/96/886738696.db2.gz LLVKDODHTBBJHE-LADGPHEKSA-N 2 2 413.525 4.169 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H]1c1ccccc1 ZINC000471939711 886738711 /nfs/dbraw/zinc/73/87/11/886738711.db2.gz LLVKDODHTBBJHE-LADGPHEKSA-N 2 2 413.525 4.169 20 0 HIADLP C[C@H](CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12)[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157838 887936223 /nfs/dbraw/zinc/93/62/23/887936223.db2.gz GNNQUQLXWAWSDO-LIKDZFNVSA-N 2 2 404.554 4.028 20 0 HIADLP C[C@H](CC[N@H+]1CC[C@]2(C1)OCc1ccccc12)[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157838 887936225 /nfs/dbraw/zinc/93/62/25/887936225.db2.gz GNNQUQLXWAWSDO-LIKDZFNVSA-N 2 2 404.554 4.028 20 0 HIADLP C[C@H](CC[NH+]1CC[C@]2(C1)OCc1ccccc12)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157838 887936228 /nfs/dbraw/zinc/93/62/28/887936228.db2.gz GNNQUQLXWAWSDO-LIKDZFNVSA-N 2 2 404.554 4.028 20 0 HIADLP C[C@H](CC[NH+]1CC[C@]2(C1)OCc1ccccc12)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157838 887936230 /nfs/dbraw/zinc/93/62/30/887936230.db2.gz GNNQUQLXWAWSDO-LIKDZFNVSA-N 2 2 404.554 4.028 20 0 HIADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473512100 888240807 /nfs/dbraw/zinc/24/08/07/888240807.db2.gz XSVPYLPIUNRCGB-VWLOTQADSA-N 2 2 400.526 4.001 20 0 HIADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473512100 888240816 /nfs/dbraw/zinc/24/08/16/888240816.db2.gz XSVPYLPIUNRCGB-VWLOTQADSA-N 2 2 400.526 4.001 20 0 HIADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000473736746 888516560 /nfs/dbraw/zinc/51/65/60/888516560.db2.gz WKCZAQMWOGQBDW-UHFFFAOYSA-N 2 2 423.605 4.172 20 0 HIADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000473736746 888516567 /nfs/dbraw/zinc/51/65/67/888516567.db2.gz WKCZAQMWOGQBDW-UHFFFAOYSA-N 2 2 423.605 4.172 20 0 HIADLP COc1ccc([C@H](C)[C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000474801567 889653569 /nfs/dbraw/zinc/65/35/69/889653569.db2.gz YRYUZPOYHUBXBC-QZTJIDSGSA-N 2 2 412.578 4.233 20 0 HIADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000474904856 889764269 /nfs/dbraw/zinc/76/42/69/889764269.db2.gz DJRFZMWLIQGRCY-UHFFFAOYSA-N 2 2 412.484 4.494 20 0 HIADLP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475330840 890250760 /nfs/dbraw/zinc/25/07/60/890250760.db2.gz FULHIEWTDOXWOG-HDYDNRTBSA-N 2 2 402.476 4.168 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1cccc(C[NH+]3CCC(C)CC3)c1)C2 ZINC000475535117 890460488 /nfs/dbraw/zinc/46/04/88/890460488.db2.gz ZVROXJDSMQDJPM-NRFANRHFSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1cccc(C[NH+]3CCC(C)CC3)c1)CC2 ZINC000475535117 890460502 /nfs/dbraw/zinc/46/05/02/890460502.db2.gz ZVROXJDSMQDJPM-NRFANRHFSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C1)C2 ZINC000476367722 891278510 /nfs/dbraw/zinc/27/85/10/891278510.db2.gz YWEFNXPUTRPZLV-DPLHUUCSSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C1)C2 ZINC000476367722 891278536 /nfs/dbraw/zinc/27/85/36/891278536.db2.gz YWEFNXPUTRPZLV-DPLHUUCSSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C1)CC2 ZINC000476367722 891278553 /nfs/dbraw/zinc/27/85/53/891278553.db2.gz YWEFNXPUTRPZLV-DPLHUUCSSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C1)CC2 ZINC000476367722 891278575 /nfs/dbraw/zinc/27/85/75/891278575.db2.gz YWEFNXPUTRPZLV-DPLHUUCSSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)C2 ZINC000477132052 892058997 /nfs/dbraw/zinc/05/89/97/892058997.db2.gz AOMHESJTDOTJHC-LJQANCHMSA-N 2 2 423.605 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)CC2 ZINC000477132052 892059014 /nfs/dbraw/zinc/05/90/14/892059014.db2.gz AOMHESJTDOTJHC-LJQANCHMSA-N 2 2 423.605 4.055 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nc(C)c(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000477287475 892243797 /nfs/dbraw/zinc/24/37/97/892243797.db2.gz PRSCLSZNDFSRAV-FXAWDEMLSA-N 2 2 402.970 4.076 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nc(C)c(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000477287475 892243826 /nfs/dbraw/zinc/24/38/26/892243826.db2.gz PRSCLSZNDFSRAV-FXAWDEMLSA-N 2 2 402.970 4.076 20 0 HIADLP C[N@H+](Cc1ccccc1OCc1ccccn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512379550 921117762 /nfs/dbraw/zinc/11/77/62/921117762.db2.gz KSKOTOIMZJSKQO-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP C[N@@H+](Cc1ccccc1OCc1ccccn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512379550 921117772 /nfs/dbraw/zinc/11/77/72/921117772.db2.gz KSKOTOIMZJSKQO-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cn(C)c2ccccc12 ZINC000477697207 892815577 /nfs/dbraw/zinc/81/55/77/892815577.db2.gz CTAWBIOUBQAWOD-PNTFMKQHSA-N 2 2 424.633 4.077 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cn(C)c2ccccc12 ZINC000477697207 892815578 /nfs/dbraw/zinc/81/55/78/892815578.db2.gz CTAWBIOUBQAWOD-PNTFMKQHSA-N 2 2 424.633 4.077 20 0 HIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000477937774 893027895 /nfs/dbraw/zinc/02/78/95/893027895.db2.gz NDWCOTACWCIQOB-BKMJKUGQSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000477937774 893027917 /nfs/dbraw/zinc/02/79/17/893027917.db2.gz NDWCOTACWCIQOB-BKMJKUGQSA-N 3 2 406.618 4.314 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)c(C)c1 ZINC000478174995 893340723 /nfs/dbraw/zinc/34/07/23/893340723.db2.gz IYRBZCRXUIOXRB-FCHUYYIVSA-N 2 2 406.505 4.166 20 0 HIADLP C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H](c1ccccc1)[NH+](C)C ZINC000479063002 894323158 /nfs/dbraw/zinc/32/31/58/894323158.db2.gz YYLVQGCCDQZHAU-MHECFPHRSA-N 2 2 415.541 4.415 20 0 HIADLP CC(C)[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(F)ccc1F ZINC000479332384 894625861 /nfs/dbraw/zinc/62/58/61/894625861.db2.gz SYFFTXOHMUHAFW-HSZRJFAPSA-N 2 2 404.501 4.163 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479402304 894706254 /nfs/dbraw/zinc/70/62/54/894706254.db2.gz NJRYMSVPBWEKHJ-DVECYGJZSA-N 2 2 401.558 4.460 20 0 HIADLP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c[nH+]2)C[C@@H](C)O1 ZINC000479477016 894799887 /nfs/dbraw/zinc/79/98/87/894799887.db2.gz QMXKYGJGSYPACO-UOBOAIMASA-N 2 2 406.574 4.303 20 0 HIADLP C[C@@H]1CN(c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c[nH+]2)C[C@@H](C)O1 ZINC000479477016 894799900 /nfs/dbraw/zinc/79/99/00/894799900.db2.gz QMXKYGJGSYPACO-UOBOAIMASA-N 2 2 406.574 4.303 20 0 HIADLP COc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000480087613 895449193 /nfs/dbraw/zinc/44/91/93/895449193.db2.gz GZIMRFYQGVHRKL-MZBJOSPHSA-N 2 2 422.617 4.117 20 0 HIADLP COc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000480087613 895449203 /nfs/dbraw/zinc/44/92/03/895449203.db2.gz GZIMRFYQGVHRKL-MZBJOSPHSA-N 2 2 422.617 4.117 20 0 HIADLP C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480202391 895602318 /nfs/dbraw/zinc/60/23/18/895602318.db2.gz XTQSUULAHPNYQP-VGSWGCGISA-N 2 2 412.965 4.454 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000480223604 895627192 /nfs/dbraw/zinc/62/71/92/895627192.db2.gz IHOCNGLWQLTWKQ-OAQYLSRUSA-N 2 2 423.605 4.079 20 0 HIADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nnn1-c1ccccc1 ZINC000480241299 895652035 /nfs/dbraw/zinc/65/20/35/895652035.db2.gz OHNSMGHBILRVGL-HSALFYBXSA-N 2 2 419.573 4.036 20 0 HIADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nnn1-c1ccccc1 ZINC000480241299 895652063 /nfs/dbraw/zinc/65/20/63/895652063.db2.gz OHNSMGHBILRVGL-HSALFYBXSA-N 2 2 419.573 4.036 20 0 HIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480557680 895918367 /nfs/dbraw/zinc/91/83/67/895918367.db2.gz RVVFWXMHRFVXOF-SFHVURJKSA-N 2 2 403.530 4.109 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000480602201 895966130 /nfs/dbraw/zinc/96/61/30/895966130.db2.gz AOBWXGFNYQKEMU-YKSBVNFPSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000480602201 895966134 /nfs/dbraw/zinc/96/61/34/895966134.db2.gz AOBWXGFNYQKEMU-YKSBVNFPSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000480602199 895966338 /nfs/dbraw/zinc/96/63/38/895966338.db2.gz AOBWXGFNYQKEMU-HYBUGGRVSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000480602199 895966350 /nfs/dbraw/zinc/96/63/50/895966350.db2.gz AOBWXGFNYQKEMU-HYBUGGRVSA-N 2 2 402.542 4.056 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCc4c3ccc(Cl)c4Cl)cc2)CC1 ZINC000480612201 895979019 /nfs/dbraw/zinc/97/90/19/895979019.db2.gz QDEKTXITSMAQBF-HXUWFJFHSA-N 2 2 418.368 4.158 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1Cl ZINC000480631639 896000928 /nfs/dbraw/zinc/00/09/28/896000928.db2.gz RRELOOVXOCHKKO-HNNXBMFYSA-N 2 2 406.357 4.232 20 0 HIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC(F)F)cc1OC(F)F ZINC000480768496 896130767 /nfs/dbraw/zinc/13/07/67/896130767.db2.gz KECMPEDVTSAKNO-GFCCVEGCSA-N 2 2 401.404 4.316 20 0 HIADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cncc(F)c1 ZINC000480825455 896198518 /nfs/dbraw/zinc/19/85/18/896198518.db2.gz YQTBDLLIHLDFJS-MRXNPFEDSA-N 2 2 410.459 4.102 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000481170051 896505660 /nfs/dbraw/zinc/50/56/60/896505660.db2.gz ODHNLWIRRPDZQM-UZLBHIALSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000481170051 896505676 /nfs/dbraw/zinc/50/56/76/896505676.db2.gz ODHNLWIRRPDZQM-UZLBHIALSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481178110 896514783 /nfs/dbraw/zinc/51/47/83/896514783.db2.gz FTOWUJDLMZQZMY-OXJNMPFZSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481178110 896514796 /nfs/dbraw/zinc/51/47/96/896514796.db2.gz FTOWUJDLMZQZMY-OXJNMPFZSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000481181920 896523665 /nfs/dbraw/zinc/52/36/65/896523665.db2.gz ABMZXEHBLXOBNE-BEFAXECRSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000481181920 896523679 /nfs/dbraw/zinc/52/36/79/896523679.db2.gz ABMZXEHBLXOBNE-BEFAXECRSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000481182634 896524397 /nfs/dbraw/zinc/52/43/97/896524397.db2.gz YTQKPAMCWZBRSW-YJBOKZPZSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000481182634 896524407 /nfs/dbraw/zinc/52/44/07/896524407.db2.gz YTQKPAMCWZBRSW-YJBOKZPZSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000481185298 896529561 /nfs/dbraw/zinc/52/95/61/896529561.db2.gz UKCUXGLTGRJTJX-FIKGOQFSSA-N 2 2 417.500 4.115 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000481185298 896529582 /nfs/dbraw/zinc/52/95/82/896529582.db2.gz UKCUXGLTGRJTJX-FIKGOQFSSA-N 2 2 417.500 4.115 20 0 HIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCCO2 ZINC000481190644 896541413 /nfs/dbraw/zinc/54/14/13/896541413.db2.gz MPMAYDCURDGBFR-QHCPKHFHSA-N 2 2 410.558 4.018 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(-c2ccncc2)cc1 ZINC000481196477 896550550 /nfs/dbraw/zinc/55/05/50/896550550.db2.gz ZGGZMSLXIIYQHG-NRFANRHFSA-N 2 2 417.553 4.310 20 0 HIADLP COc1ccc2cc([C@@H](C)[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)ccc2c1 ZINC000481202618 896556132 /nfs/dbraw/zinc/55/61/32/896556132.db2.gz LUGIOSZBTBAOIU-HXUWFJFHSA-N 2 2 420.553 4.410 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)c(Br)c1 ZINC000481319574 896672944 /nfs/dbraw/zinc/67/29/44/896672944.db2.gz LMVVBIRJFUUJSG-HNNXBMFYSA-N 2 2 407.327 4.271 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(-c2ccncc2)cc1 ZINC000481401313 896808499 /nfs/dbraw/zinc/80/84/99/896808499.db2.gz INVLEMMYPMTPQH-NRFANRHFSA-N 2 2 417.553 4.310 20 0 HIADLP COc1ccc2cc([C@H](C)[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)ccc2c1 ZINC000481415439 896818296 /nfs/dbraw/zinc/81/82/96/896818296.db2.gz FTTGRRBNRKGWHE-FQEVSTJZSA-N 2 2 420.553 4.410 20 0 HIADLP COc1ccc2oc([C@H](C)[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)c(C)c2c1 ZINC000481422737 896825231 /nfs/dbraw/zinc/82/52/31/896825231.db2.gz LLCXHBIBPLMYNF-IBGZPJMESA-N 2 2 424.541 4.312 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000481658357 897041080 /nfs/dbraw/zinc/04/10/80/897041080.db2.gz NKQBXPKFWGUURB-FQEVSTJZSA-N 2 2 402.542 4.236 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000481658357 897041086 /nfs/dbraw/zinc/04/10/86/897041086.db2.gz NKQBXPKFWGUURB-FQEVSTJZSA-N 2 2 402.542 4.236 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000482120269 897574609 /nfs/dbraw/zinc/57/46/09/897574609.db2.gz AWHYGXNCDVDGGY-ZOBUZTSGSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000482120269 897574616 /nfs/dbraw/zinc/57/46/16/897574616.db2.gz AWHYGXNCDVDGGY-ZOBUZTSGSA-N 2 2 416.393 4.047 20 0 HIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000483121692 898808765 /nfs/dbraw/zinc/80/87/65/898808765.db2.gz QGAXDQITYJHSTM-REWPJTCUSA-N 2 2 404.558 4.314 20 0 HIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000483121692 898808766 /nfs/dbraw/zinc/80/87/66/898808766.db2.gz QGAXDQITYJHSTM-REWPJTCUSA-N 2 2 404.558 4.314 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000483233254 898877090 /nfs/dbraw/zinc/87/70/90/898877090.db2.gz IRPKOFUYMOAOAG-ZIAGYGMSSA-N 2 2 420.447 4.041 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488591 899140195 /nfs/dbraw/zinc/14/01/95/899140195.db2.gz DCUBYQSFPZSPIV-NWSQWKLXSA-N 2 2 423.626 4.008 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488591 899140196 /nfs/dbraw/zinc/14/01/96/899140196.db2.gz DCUBYQSFPZSPIV-NWSQWKLXSA-N 2 2 423.626 4.008 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483488591 899140202 /nfs/dbraw/zinc/14/02/02/899140202.db2.gz DCUBYQSFPZSPIV-NWSQWKLXSA-N 2 2 423.626 4.008 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483488591 899140207 /nfs/dbraw/zinc/14/02/07/899140207.db2.gz DCUBYQSFPZSPIV-NWSQWKLXSA-N 2 2 423.626 4.008 20 0 HIADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)s2)cc1OC ZINC000483726650 899387276 /nfs/dbraw/zinc/38/72/76/899387276.db2.gz NVBKMXDYSQTUKM-RLFYNMQTSA-N 2 2 403.592 4.193 20 0 HIADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)s2)cc1OC ZINC000483726650 899387293 /nfs/dbraw/zinc/38/72/93/899387293.db2.gz NVBKMXDYSQTUKM-RLFYNMQTSA-N 2 2 403.592 4.193 20 0 HIADLP CN(C(=O)c1ccc(F)c2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000484074992 899708101 /nfs/dbraw/zinc/70/81/01/899708101.db2.gz QVYWZBGLPNJILE-ZEQRLZLVSA-N 2 2 411.565 4.388 20 0 HIADLP CN(C(=O)c1ccc(F)c2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000484074992 899708111 /nfs/dbraw/zinc/70/81/11/899708111.db2.gz QVYWZBGLPNJILE-ZEQRLZLVSA-N 2 2 411.565 4.388 20 0 HIADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1cccc(N2CCOCC2)c1 ZINC000484141464 899761295 /nfs/dbraw/zinc/76/12/95/899761295.db2.gz XOSRPTJMSHETEU-VXKWHMMOSA-N 2 2 423.601 4.074 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2ccncc2)cc1 ZINC000484145586 899767027 /nfs/dbraw/zinc/76/70/27/899767027.db2.gz NBTCRHKJFNYKRZ-YMSRPXOMSA-N 2 2 401.554 4.282 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2ccncc2)cc1 ZINC000484145586 899767036 /nfs/dbraw/zinc/76/70/36/899767036.db2.gz NBTCRHKJFNYKRZ-YMSRPXOMSA-N 2 2 401.554 4.282 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000484146708 899767109 /nfs/dbraw/zinc/76/71/09/899767109.db2.gz ZFKGNSRYRNUUOP-DSKINZAPSA-N 2 2 404.501 4.130 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000484146708 899767114 /nfs/dbraw/zinc/76/71/14/899767114.db2.gz ZFKGNSRYRNUUOP-DSKINZAPSA-N 2 2 404.501 4.130 20 0 HIADLP COc1ccc2oc([C@H](C)[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)c(C)c2c1 ZINC000484151014 899772383 /nfs/dbraw/zinc/77/23/83/899772383.db2.gz ZLTPKSUMVCGPEE-LEDOBFOHSA-N 2 2 408.542 4.283 20 0 HIADLP COc1ccc2oc([C@H](C)[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)c(C)c2c1 ZINC000484151014 899772392 /nfs/dbraw/zinc/77/23/92/899772392.db2.gz ZLTPKSUMVCGPEE-LEDOBFOHSA-N 2 2 408.542 4.283 20 0 HIADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1OCC ZINC000484161369 899781989 /nfs/dbraw/zinc/78/19/89/899781989.db2.gz JJAANEMAXIQQIQ-VJBMBRPKSA-N 2 2 412.574 4.018 20 0 HIADLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1OCC ZINC000484161369 899781998 /nfs/dbraw/zinc/78/19/98/899781998.db2.gz JJAANEMAXIQQIQ-VJBMBRPKSA-N 2 2 412.574 4.018 20 0 HIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1Br ZINC000484489297 899981312 /nfs/dbraw/zinc/98/13/12/899981312.db2.gz PEGIOSWFHHMMGZ-HLIPFELVSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1Br ZINC000484489297 899981321 /nfs/dbraw/zinc/98/13/21/899981321.db2.gz PEGIOSWFHHMMGZ-HLIPFELVSA-N 2 2 418.379 4.112 20 0 HIADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC(F)F)c1 ZINC000484496888 899988881 /nfs/dbraw/zinc/98/88/81/899988881.db2.gz BXNAEUJNGABCNI-DYESRHJHSA-N 2 2 419.516 4.472 20 0 HIADLP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC(F)F)c1 ZINC000484496888 899988892 /nfs/dbraw/zinc/98/88/92/899988892.db2.gz BXNAEUJNGABCNI-DYESRHJHSA-N 2 2 419.516 4.472 20 0 HIADLP Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000485700257 900950441 /nfs/dbraw/zinc/95/04/41/900950441.db2.gz YKWYRLDQVAAGOG-UHFFFAOYSA-N 2 2 408.590 4.056 20 0 HIADLP Cc1cccc(C)c1NC(=O)CCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000485700257 900950450 /nfs/dbraw/zinc/95/04/50/900950450.db2.gz YKWYRLDQVAAGOG-UHFFFAOYSA-N 2 2 408.590 4.056 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c[nH]c2ccccc21 ZINC000486156170 901343651 /nfs/dbraw/zinc/34/36/51/901343651.db2.gz JQTBHQCKDMNUOZ-NGXZDTIWSA-N 2 2 424.633 4.457 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c[nH]c2ccccc21 ZINC000486156170 901343656 /nfs/dbraw/zinc/34/36/56/901343656.db2.gz JQTBHQCKDMNUOZ-NGXZDTIWSA-N 2 2 424.633 4.457 20 0 HIADLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)cc1O ZINC000486475891 901636456 /nfs/dbraw/zinc/63/64/56/901636456.db2.gz KOWVKNHHGWDFMJ-DOTOQJQBSA-N 2 2 419.363 4.164 20 0 HIADLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)cc1O ZINC000486475891 901636465 /nfs/dbraw/zinc/63/64/65/901636465.db2.gz KOWVKNHHGWDFMJ-DOTOQJQBSA-N 2 2 419.363 4.164 20 0 HIADLP Cc1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000486493253 901645630 /nfs/dbraw/zinc/64/56/30/901645630.db2.gz YWLJAMCILQAYGR-OAHLLOKOSA-N 2 2 409.452 4.131 20 0 HIADLP Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000486493253 901645650 /nfs/dbraw/zinc/64/56/50/901645650.db2.gz YWLJAMCILQAYGR-OAHLLOKOSA-N 2 2 409.452 4.131 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486829807 901881173 /nfs/dbraw/zinc/88/11/73/901881173.db2.gz YDLWPDWQOHIGSH-LEWJYISDSA-N 2 2 403.929 4.106 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486829807 901881177 /nfs/dbraw/zinc/88/11/77/901881177.db2.gz YDLWPDWQOHIGSH-LEWJYISDSA-N 2 2 403.929 4.106 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000488279182 902743464 /nfs/dbraw/zinc/74/34/64/902743464.db2.gz KVALWYDJQOINFH-VOQZNFBZSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000488279182 902743469 /nfs/dbraw/zinc/74/34/69/902743469.db2.gz KVALWYDJQOINFH-VOQZNFBZSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488421074 902818984 /nfs/dbraw/zinc/81/89/84/902818984.db2.gz QIJJZLYQKYOVDW-SFHVURJKSA-N 2 2 404.624 4.005 20 0 HIADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCCO2 ZINC000489560108 903463829 /nfs/dbraw/zinc/46/38/29/903463829.db2.gz LUJPASZBZVMEPG-QFIPXVFZSA-N 2 2 400.950 4.484 20 0 HIADLP CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489636254 903509464 /nfs/dbraw/zinc/50/94/64/903509464.db2.gz SLDGIXVEMJVYEX-LJQANCHMSA-N 2 2 407.558 4.060 20 0 HIADLP CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489636254 903509475 /nfs/dbraw/zinc/50/94/75/903509475.db2.gz SLDGIXVEMJVYEX-LJQANCHMSA-N 2 2 407.558 4.060 20 0 HIADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c2ccccc2C1 ZINC000490118857 903775448 /nfs/dbraw/zinc/77/54/48/903775448.db2.gz MBKUWHJQGYWGEM-FTJBHMTQSA-N 2 2 405.586 4.152 20 0 HIADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c2ccccc2C1 ZINC000490118857 903775449 /nfs/dbraw/zinc/77/54/49/903775449.db2.gz MBKUWHJQGYWGEM-FTJBHMTQSA-N 2 2 405.586 4.152 20 0 HIADLP C[C@H]1C[N@H+](CCSc2cc(Cl)ccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490957112 904335829 /nfs/dbraw/zinc/33/58/29/904335829.db2.gz CMAPYXIRHXLSRY-YJBOKZPZSA-N 2 2 402.435 4.043 20 0 HIADLP C[C@H]1C[N@@H+](CCSc2cc(Cl)ccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490957112 904335836 /nfs/dbraw/zinc/33/58/36/904335836.db2.gz CMAPYXIRHXLSRY-YJBOKZPZSA-N 2 2 402.435 4.043 20 0 HIADLP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000491002491 904360879 /nfs/dbraw/zinc/36/08/79/904360879.db2.gz CATHZBDONLIQDE-JOCHJYFZSA-N 2 2 407.936 4.325 20 0 HIADLP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000491002491 904360893 /nfs/dbraw/zinc/36/08/93/904360893.db2.gz CATHZBDONLIQDE-JOCHJYFZSA-N 2 2 407.936 4.325 20 0 HIADLP CCOc1ccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000491024570 904375616 /nfs/dbraw/zinc/37/56/16/904375616.db2.gz UEFHSIQMLYSHPN-MBSDFSHPSA-N 2 2 401.982 4.054 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H](c3cnn(C)c3)c3cccc(F)c3)cc2)C[C@@H](C)O1 ZINC000491316112 904532314 /nfs/dbraw/zinc/53/23/14/904532314.db2.gz KDAHGVXUKIFEAX-RRQZXNHTSA-N 2 2 422.548 4.048 20 0 HIADLP CCN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000492349251 904836486 /nfs/dbraw/zinc/83/64/86/904836486.db2.gz GKCVLSNKBDJWEK-SIKLNZKXSA-N 2 2 418.545 4.016 20 0 HIADLP CCN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000492349251 904836488 /nfs/dbraw/zinc/83/64/88/904836488.db2.gz GKCVLSNKBDJWEK-SIKLNZKXSA-N 2 2 418.545 4.016 20 0 HIADLP C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492349731 904836884 /nfs/dbraw/zinc/83/68/84/904836884.db2.gz GYDGCABYVAGUAK-IRLDBZIGSA-N 2 2 400.570 4.361 20 0 HIADLP C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492349731 904836885 /nfs/dbraw/zinc/83/68/85/904836885.db2.gz GYDGCABYVAGUAK-IRLDBZIGSA-N 2 2 400.570 4.361 20 0 HIADLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc(OC)c1OCc1ccccc1 ZINC000512394994 921130538 /nfs/dbraw/zinc/13/05/38/921130538.db2.gz NBTASCQMFHUYNX-UHFFFAOYSA-N 2 2 407.514 4.316 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Br)cs1 ZINC000493914450 905266444 /nfs/dbraw/zinc/26/64/44/905266444.db2.gz AEBVQFXBGDMCSB-YXJHDRRASA-N 2 2 409.393 4.044 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc(Br)cs1 ZINC000493914450 905266459 /nfs/dbraw/zinc/26/64/59/905266459.db2.gz AEBVQFXBGDMCSB-YXJHDRRASA-N 2 2 409.393 4.044 20 0 HIADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000493989775 905334100 /nfs/dbraw/zinc/33/41/00/905334100.db2.gz MHTRPPMOPWGWAH-DNVJHFABSA-N 2 2 416.512 4.345 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@H](C[C@H]3CCOC3)c3ccc(F)cc3)[nH+]c2)CC1 ZINC000494825786 906018935 /nfs/dbraw/zinc/01/89/35/906018935.db2.gz OWNOBHOFVQFAKF-WZONZLPQSA-N 2 2 412.553 4.331 20 0 HIADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000494999715 906160533 /nfs/dbraw/zinc/16/05/33/906160533.db2.gz SANDQSOCQLXYRS-YJBOKZPZSA-N 2 2 407.345 4.260 20 0 HIADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000494999715 906160539 /nfs/dbraw/zinc/16/05/39/906160539.db2.gz SANDQSOCQLXYRS-YJBOKZPZSA-N 2 2 407.345 4.260 20 0 HIADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)CC3 ZINC000495028893 906186934 /nfs/dbraw/zinc/18/69/34/906186934.db2.gz NRPDLGLQAVIRGD-SFHVURJKSA-N 2 2 403.574 4.371 20 0 HIADLP CN(C(=O)Nc1cccc(F)c1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000495033017 906188177 /nfs/dbraw/zinc/18/81/77/906188177.db2.gz XUKYKIQQMTYBPK-OALUTQOASA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cccc(F)c1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495033017 906188184 /nfs/dbraw/zinc/18/81/84/906188184.db2.gz XUKYKIQQMTYBPK-OALUTQOASA-N 2 2 410.965 4.280 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000495069631 906221116 /nfs/dbraw/zinc/22/11/16/906221116.db2.gz MLQJUWNGHOTPMF-UXHICEINSA-N 2 2 420.022 4.218 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000495069631 906221133 /nfs/dbraw/zinc/22/11/33/906221133.db2.gz MLQJUWNGHOTPMF-UXHICEINSA-N 2 2 420.022 4.218 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512613305 921260973 /nfs/dbraw/zinc/26/09/73/921260973.db2.gz RNTCBOSOJSSRQO-GABCFMIKSA-N 3 2 418.629 4.497 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512613305 921260977 /nfs/dbraw/zinc/26/09/77/921260977.db2.gz RNTCBOSOJSSRQO-GABCFMIKSA-N 3 2 418.629 4.497 20 0 HIADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000497527553 907017384 /nfs/dbraw/zinc/01/73/84/907017384.db2.gz UFRRRCYSSKEPOV-UHFFFAOYSA-N 2 2 400.522 4.257 20 0 HIADLP COc1ccc([C@@H]2CCC[NH+]2CC(O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000497757088 907248515 /nfs/dbraw/zinc/24/85/15/907248515.db2.gz ZWJMPWQIOGMVNZ-DQEYMECFSA-N 2 2 410.558 4.039 20 0 HIADLP COc1ccc([C@@H]2CCC[NH+]2CC(O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000497757088 907248531 /nfs/dbraw/zinc/24/85/31/907248531.db2.gz ZWJMPWQIOGMVNZ-DQEYMECFSA-N 2 2 410.558 4.039 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000498434648 907900904 /nfs/dbraw/zinc/90/09/04/907900904.db2.gz JUGJFHDNPLMMHT-UHFFFAOYSA-N 2 2 417.956 4.244 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000498434648 907900924 /nfs/dbraw/zinc/90/09/24/907900924.db2.gz JUGJFHDNPLMMHT-UHFFFAOYSA-N 2 2 417.956 4.244 20 0 HIADLP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000499213652 908569115 /nfs/dbraw/zinc/56/91/15/908569115.db2.gz ALLNGSKOJDLZAT-SNJCGAMXSA-N 2 2 409.961 4.231 20 0 HIADLP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000499213652 908569121 /nfs/dbraw/zinc/56/91/21/908569121.db2.gz ALLNGSKOJDLZAT-SNJCGAMXSA-N 2 2 409.961 4.231 20 0 HIADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000499700609 908881106 /nfs/dbraw/zinc/88/11/06/908881106.db2.gz MPYBLZCVLQUGPC-UHFFFAOYSA-N 2 2 405.477 4.489 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501364202 910493922 /nfs/dbraw/zinc/49/39/22/910493922.db2.gz HRXAEGOYNFHQLY-DQEYMECFSA-N 2 2 414.553 4.058 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000501364202 910493936 /nfs/dbraw/zinc/49/39/36/910493936.db2.gz HRXAEGOYNFHQLY-DQEYMECFSA-N 2 2 414.553 4.058 20 0 HIADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503064127 912030594 /nfs/dbraw/zinc/03/05/94/912030594.db2.gz PSLPWMCEGVAOMB-PBHICJAKSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503064127 912030609 /nfs/dbraw/zinc/03/06/09/912030609.db2.gz PSLPWMCEGVAOMB-PBHICJAKSA-N 2 2 401.308 4.384 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000503070337 912039149 /nfs/dbraw/zinc/03/91/49/912039149.db2.gz CCDVCEFQDPXZAL-HSZRJFAPSA-N 2 2 406.530 4.292 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000503070337 912039164 /nfs/dbraw/zinc/03/91/64/912039164.db2.gz CCDVCEFQDPXZAL-HSZRJFAPSA-N 2 2 406.530 4.292 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000503074494 912044394 /nfs/dbraw/zinc/04/43/94/912044394.db2.gz LJIDVKHXGNBVCT-TZYHBYERSA-N 2 2 404.514 4.155 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000503074494 912044407 /nfs/dbraw/zinc/04/44/07/912044407.db2.gz LJIDVKHXGNBVCT-TZYHBYERSA-N 2 2 404.514 4.155 20 0 HIADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000507044309 915838382 /nfs/dbraw/zinc/83/83/82/915838382.db2.gz GTRLJUMKKFNZDA-QFIPXVFZSA-N 2 2 423.605 4.150 20 0 HIADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507198464 915948133 /nfs/dbraw/zinc/94/81/33/915948133.db2.gz WZOACPXSPWDQCM-PMACEKPBSA-N 2 2 415.626 4.009 20 0 HIADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507198464 915948147 /nfs/dbraw/zinc/94/81/47/915948147.db2.gz WZOACPXSPWDQCM-PMACEKPBSA-N 2 2 415.626 4.009 20 0 HIADLP CSCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1nnc2ccccn21 ZINC000507463632 916229528 /nfs/dbraw/zinc/22/95/28/916229528.db2.gz UQLFBBNIXNDDMI-YSFYHYPLSA-N 2 2 421.614 4.024 20 0 HIADLP CSCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1nnc2ccccn21 ZINC000507463632 916229565 /nfs/dbraw/zinc/22/95/65/916229565.db2.gz UQLFBBNIXNDDMI-YSFYHYPLSA-N 2 2 421.614 4.024 20 0 HIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000507473289 916242850 /nfs/dbraw/zinc/24/28/50/916242850.db2.gz ULOMVSULHXTDJZ-UHFFFAOYSA-N 2 2 404.904 4.395 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000507892537 916747651 /nfs/dbraw/zinc/74/76/51/916747651.db2.gz HADMZIIYLBZZAK-PBFPGSCMSA-N 2 2 414.859 4.465 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000507892537 916747662 /nfs/dbraw/zinc/74/76/62/916747662.db2.gz HADMZIIYLBZZAK-PBFPGSCMSA-N 2 2 414.859 4.465 20 0 HIADLP CC(C)Sc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000508560680 917335307 /nfs/dbraw/zinc/33/53/07/917335307.db2.gz LTWQPSIIQDTYHX-GOSISDBHSA-N 2 2 418.651 4.106 20 0 HIADLP CCOc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc(Br)c1OC ZINC000508637612 917403148 /nfs/dbraw/zinc/40/31/48/917403148.db2.gz MKTXEXBZLPKMCQ-HNNXBMFYSA-N 2 2 422.367 4.045 20 0 HIADLP CCOc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc(Br)c1OC ZINC000508637612 917403159 /nfs/dbraw/zinc/40/31/59/917403159.db2.gz MKTXEXBZLPKMCQ-HNNXBMFYSA-N 2 2 422.367 4.045 20 0 HIADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+](C)C ZINC000508909452 917667069 /nfs/dbraw/zinc/66/70/69/917667069.db2.gz WAQKDTFBPZNNAN-NFBKMPQASA-N 2 2 411.594 4.085 20 0 HIADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+](C)C ZINC000508909455 917667293 /nfs/dbraw/zinc/66/72/93/917667293.db2.gz WAQKDTFBPZNNAN-REWPJTCUSA-N 2 2 411.594 4.085 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000509029222 917783266 /nfs/dbraw/zinc/78/32/66/917783266.db2.gz DGPDTGCCHCNJNO-DUXKGJEZSA-N 2 2 417.985 4.212 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000509029222 917783281 /nfs/dbraw/zinc/78/32/81/917783281.db2.gz DGPDTGCCHCNJNO-DUXKGJEZSA-N 2 2 417.985 4.212 20 0 HIADLP Fc1ccc(OC2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)c(F)c1 ZINC000509274742 917960139 /nfs/dbraw/zinc/96/01/39/917960139.db2.gz AUWHPQOUYYUTOY-UHFFFAOYSA-N 2 2 415.528 4.020 20 0 HIADLP CCC(C)(C)C1CCC2(C[C@H]2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000509562102 918212870 /nfs/dbraw/zinc/21/28/70/918212870.db2.gz YFOXPGWEEKJRSE-WQNVSQMQSA-N 2 2 403.655 4.294 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4ccc(Br)cc43)[nH+]c2)C1 ZINC000510686831 919125684 /nfs/dbraw/zinc/12/56/84/919125684.db2.gz VPJHIOJZENXLOB-HKUYNNGSSA-N 2 2 401.352 4.084 20 0 HIADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510947248 919476186 /nfs/dbraw/zinc/47/61/86/919476186.db2.gz QIHQTIAVTZFGBR-CVDCTZTESA-N 2 2 410.558 4.190 20 0 HIADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510947248 919476193 /nfs/dbraw/zinc/47/61/93/919476193.db2.gz QIHQTIAVTZFGBR-CVDCTZTESA-N 2 2 410.558 4.190 20 0 HIADLP C[N@@H+]1CCO[C@H]([C@@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000511376935 919976283 /nfs/dbraw/zinc/97/62/83/919976283.db2.gz ILMGYBWIJXPAPT-GOTSBHOMSA-N 2 2 406.014 4.098 20 0 HIADLP C[N@H+]1CCO[C@H]([C@@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000511376935 919976297 /nfs/dbraw/zinc/97/62/97/919976297.db2.gz ILMGYBWIJXPAPT-GOTSBHOMSA-N 2 2 406.014 4.098 20 0 HIADLP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)s1 ZINC000511911385 920651959 /nfs/dbraw/zinc/65/19/59/920651959.db2.gz OPTFJXUNQQVYDI-UHFFFAOYSA-N 2 2 413.418 4.266 20 0 HIADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)sc1Br ZINC000512004140 920773303 /nfs/dbraw/zinc/77/33/03/920773303.db2.gz COPDZOCFOXAORY-DNVCBOLYSA-N 2 2 409.393 4.107 20 0 HIADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)sc1Br ZINC000512004140 920773319 /nfs/dbraw/zinc/77/33/19/920773319.db2.gz COPDZOCFOXAORY-DNVCBOLYSA-N 2 2 409.393 4.107 20 0 HIADLP C[C@@H]([NH2+]Cc1cscc1Br)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000512007805 920779328 /nfs/dbraw/zinc/77/93/28/920779328.db2.gz LAQDZROUZOKRSM-CYBMUJFWSA-N 2 2 412.372 4.252 20 0 HIADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)sc1Br ZINC000512054467 920824467 /nfs/dbraw/zinc/82/44/67/920824467.db2.gz VTITWDQDCCZBOT-RYQLBKOJSA-N 2 2 423.420 4.353 20 0 HIADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)sc1Br ZINC000512054467 920824468 /nfs/dbraw/zinc/82/44/68/920824468.db2.gz VTITWDQDCCZBOT-RYQLBKOJSA-N 2 2 423.420 4.353 20 0 HIADLP C[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512286425 921040939 /nfs/dbraw/zinc/04/09/39/921040939.db2.gz CJSJTJCGNNGLTE-UHFFFAOYSA-N 2 2 405.586 4.409 20 0 HIADLP C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512286425 921040953 /nfs/dbraw/zinc/04/09/53/921040953.db2.gz CJSJTJCGNNGLTE-UHFFFAOYSA-N 2 2 405.586 4.409 20 0 HIADLP C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512314622 921065476 /nfs/dbraw/zinc/06/54/76/921065476.db2.gz PGWWVUPPDVQEKL-LJQANCHMSA-N 2 2 423.384 4.330 20 0 HIADLP C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512314622 921065490 /nfs/dbraw/zinc/06/54/90/921065490.db2.gz PGWWVUPPDVQEKL-LJQANCHMSA-N 2 2 423.384 4.330 20 0 HIADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OCC(C)C ZINC000512349884 921095700 /nfs/dbraw/zinc/09/57/00/921095700.db2.gz CBSQRNLWYPCTHQ-UHFFFAOYSA-N 2 2 411.590 4.264 20 0 HIADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OCC(C)C ZINC000512349884 921095714 /nfs/dbraw/zinc/09/57/14/921095714.db2.gz CBSQRNLWYPCTHQ-UHFFFAOYSA-N 2 2 411.590 4.264 20 0 HIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(OC(F)F)cc1C ZINC000512359445 921103197 /nfs/dbraw/zinc/10/31/97/921103197.db2.gz GUSRKZCUBWYMAE-UHFFFAOYSA-N 2 2 403.517 4.439 20 0 HIADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(OC(F)F)cc1C ZINC000512359445 921103200 /nfs/dbraw/zinc/10/32/00/921103200.db2.gz GUSRKZCUBWYMAE-UHFFFAOYSA-N 2 2 403.517 4.439 20 0 HIADLP O[C@H](Cn1c2ccccc2[nH+]c1NCc1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000513479105 921835697 /nfs/dbraw/zinc/83/56/97/921835697.db2.gz IHNMCHODYUREQC-QHCPKHFHSA-N 2 2 412.537 4.068 20 0 HIADLP O[C@H](Cn1c2ccccc2[nH+]c1NCc1ccccc1)C[N@H+]1CCc2ccccc2C1 ZINC000513479105 921835698 /nfs/dbraw/zinc/83/56/98/921835698.db2.gz IHNMCHODYUREQC-QHCPKHFHSA-N 2 2 412.537 4.068 20 0 HIADLP CCC1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000514042764 922363857 /nfs/dbraw/zinc/36/38/57/922363857.db2.gz LGELXGVSYSCOSS-UHFFFAOYSA-N 2 2 416.569 4.354 20 0 HIADLP CC[C@@H](C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000515314698 923046149 /nfs/dbraw/zinc/04/61/49/923046149.db2.gz KTJGGYNGBWHTMJ-QHCPKHFHSA-N 2 2 408.590 4.057 20 0 HIADLP CC[C@@H](C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000515314698 923046167 /nfs/dbraw/zinc/04/61/67/923046167.db2.gz KTJGGYNGBWHTMJ-QHCPKHFHSA-N 2 2 408.590 4.057 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000516494051 923756235 /nfs/dbraw/zinc/75/62/35/923756235.db2.gz DZYNMJVTDOPBBZ-NRFANRHFSA-N 2 2 415.965 4.177 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000516494051 923756242 /nfs/dbraw/zinc/75/62/42/923756242.db2.gz DZYNMJVTDOPBBZ-NRFANRHFSA-N 2 2 415.965 4.177 20 0 HIADLP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1OC ZINC000516559704 923795504 /nfs/dbraw/zinc/79/55/04/923795504.db2.gz KDPUBOITGNALSB-ICSRJNTNSA-N 2 2 400.950 4.311 20 0 HIADLP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1OC ZINC000516559704 923795515 /nfs/dbraw/zinc/79/55/15/923795515.db2.gz KDPUBOITGNALSB-ICSRJNTNSA-N 2 2 400.950 4.311 20 0 HIADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1OC ZINC000516559704 923795518 /nfs/dbraw/zinc/79/55/18/923795518.db2.gz KDPUBOITGNALSB-ICSRJNTNSA-N 2 2 400.950 4.311 20 0 HIADLP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(Cl)c1OC ZINC000516559704 923795532 /nfs/dbraw/zinc/79/55/32/923795532.db2.gz KDPUBOITGNALSB-ICSRJNTNSA-N 2 2 400.950 4.311 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)C1 ZINC000516642405 923827851 /nfs/dbraw/zinc/82/78/51/923827851.db2.gz GCRQYKCLIQZLDU-FQEVSTJZSA-N 2 2 417.557 4.104 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)C1 ZINC000516642405 923827860 /nfs/dbraw/zinc/82/78/60/923827860.db2.gz GCRQYKCLIQZLDU-FQEVSTJZSA-N 2 2 417.557 4.104 20 0 HIADLP CC(C)C[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000517714397 926810026 /nfs/dbraw/zinc/81/00/26/926810026.db2.gz KYZFQAXJNCZGQA-RDPSFJRHSA-N 2 2 404.558 4.427 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000517918073 926890365 /nfs/dbraw/zinc/89/03/65/926890365.db2.gz WFOHABCQMIZMQC-NHCUHLMSSA-N 2 2 423.605 4.251 20 0 HIADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000518578405 927358863 /nfs/dbraw/zinc/35/88/63/927358863.db2.gz ILSMFZJIHOAGJQ-GOSISDBHSA-N 2 2 413.512 4.280 20 0 HIADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000518578405 927358888 /nfs/dbraw/zinc/35/88/88/927358888.db2.gz ILSMFZJIHOAGJQ-GOSISDBHSA-N 2 2 413.512 4.280 20 0 HIADLP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000519196928 927821310 /nfs/dbraw/zinc/82/13/10/927821310.db2.gz WOIQFMAPFRJXLZ-FQEVSTJZSA-N 2 2 424.589 4.243 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)[NH+]2CCCC2)cc1 ZINC000519936791 928171809 /nfs/dbraw/zinc/17/18/09/928171809.db2.gz RGRKXCLJSMIGQY-DNQXCXABSA-N 2 2 423.626 4.038 20 0 HIADLP c1ccc([C@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)[NH+]2CCSCC2)cc1 ZINC000521680841 929363509 /nfs/dbraw/zinc/36/35/09/929363509.db2.gz ICOQKDMUKIIPLN-JOCHJYFZSA-N 2 2 420.582 4.471 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)([NH+]2CCCCC2)CC1 ZINC000524671122 929785081 /nfs/dbraw/zinc/78/50/81/929785081.db2.gz OTFDUIBIZOXYBC-UHFFFAOYSA-N 2 2 422.617 4.117 20 0 HIADLP C[C@H]1C[C@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000524815584 929840764 /nfs/dbraw/zinc/84/07/64/929840764.db2.gz GFOTZTOAVFXREI-GBXCKJPGSA-N 2 2 402.542 4.057 20 0 HIADLP C[C@H]1C[C@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000524815584 929840770 /nfs/dbraw/zinc/84/07/70/929840770.db2.gz GFOTZTOAVFXREI-GBXCKJPGSA-N 2 2 402.542 4.057 20 0 HIADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000531711934 931169830 /nfs/dbraw/zinc/16/98/30/931169830.db2.gz SQIOJAWIDWHENH-NRFANRHFSA-N 2 2 411.977 4.199 20 0 HIADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000531711934 931169834 /nfs/dbraw/zinc/16/98/34/931169834.db2.gz SQIOJAWIDWHENH-NRFANRHFSA-N 2 2 411.977 4.199 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC000532586092 931542996 /nfs/dbraw/zinc/54/29/96/931542996.db2.gz UDGBYEBMNUELKC-RDPSFJRHSA-N 2 2 423.601 4.146 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC000532586092 931543005 /nfs/dbraw/zinc/54/30/05/931543005.db2.gz UDGBYEBMNUELKC-RDPSFJRHSA-N 2 2 423.601 4.146 20 0 HIADLP COc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1OCC(F)(F)F ZINC000532670586 931577701 /nfs/dbraw/zinc/57/77/01/931577701.db2.gz VTKOLSIDTCVCLO-INIZCTEOSA-N 2 2 423.479 4.347 20 0 HIADLP CC[N@H+](CC(=O)Nc1cc(C)ccc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733101 931616019 /nfs/dbraw/zinc/61/60/19/931616019.db2.gz FPWXNPSGQFOBNI-UHFFFAOYSA-N 2 2 423.605 4.455 20 0 HIADLP CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733101 931616022 /nfs/dbraw/zinc/61/60/22/931616022.db2.gz FPWXNPSGQFOBNI-UHFFFAOYSA-N 2 2 423.605 4.455 20 0 HIADLP Fc1cccc(-c2noc([C@H]3CCC[N@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)n2)c1 ZINC000533046801 931751967 /nfs/dbraw/zinc/75/19/67/931751967.db2.gz CEZZJBWNGYTBHO-IBGZPJMESA-N 2 2 403.461 4.441 20 0 HIADLP Fc1cccc(-c2noc([C@H]3CCC[N@@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)n2)c1 ZINC000533046801 931751971 /nfs/dbraw/zinc/75/19/71/931751971.db2.gz CEZZJBWNGYTBHO-IBGZPJMESA-N 2 2 403.461 4.441 20 0 HIADLP CC[N@H+](Cc1cc(C)c(C(=O)OC)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073425 931763299 /nfs/dbraw/zinc/76/32/99/931763299.db2.gz NIABCVYBCFLHBC-UHFFFAOYSA-N 2 2 414.550 4.087 20 0 HIADLP CC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073425 931763302 /nfs/dbraw/zinc/76/33/02/931763302.db2.gz NIABCVYBCFLHBC-UHFFFAOYSA-N 2 2 414.550 4.087 20 0 HIADLP CC[N@H+](CC(=O)c1cc(C)n(C)c1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073293 931763744 /nfs/dbraw/zinc/76/37/44/931763744.db2.gz UJGALBDNTSPMNR-UHFFFAOYSA-N 2 2 411.594 4.037 20 0 HIADLP CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073293 931763749 /nfs/dbraw/zinc/76/37/49/931763749.db2.gz UJGALBDNTSPMNR-UHFFFAOYSA-N 2 2 411.594 4.037 20 0 HIADLP Cc1ccc(OCc2nc(CNc3ccc(N4CC[C@@H]([NH+](C)C)C4)c[nH+]3)cs2)cc1 ZINC000533315563 931837667 /nfs/dbraw/zinc/83/76/67/931837667.db2.gz HMXGTXWJIFVHPE-HXUWFJFHSA-N 2 2 423.586 4.178 20 0 HIADLP CC[C@H](C)Oc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647865 931942761 /nfs/dbraw/zinc/94/27/61/931942761.db2.gz NFJMPPZHWVQGSG-WUMKDDEVSA-N 2 2 415.622 4.273 20 0 HIADLP CC[C@H](C)Oc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647865 931942780 /nfs/dbraw/zinc/94/27/80/931942780.db2.gz NFJMPPZHWVQGSG-WUMKDDEVSA-N 2 2 415.622 4.273 20 0 HIADLP CC[C@H](C)Oc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647864 931943479 /nfs/dbraw/zinc/94/34/79/931943479.db2.gz NFJMPPZHWVQGSG-WDJPJFJCSA-N 2 2 415.622 4.273 20 0 HIADLP CC[C@H](C)Oc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647864 931943486 /nfs/dbraw/zinc/94/34/86/931943486.db2.gz NFJMPPZHWVQGSG-WDJPJFJCSA-N 2 2 415.622 4.273 20 0 HIADLP CC[C@H](C)Oc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647860 931943675 /nfs/dbraw/zinc/94/36/75/931943675.db2.gz NFJMPPZHWVQGSG-IEXUWNMDSA-N 2 2 415.622 4.273 20 0 HIADLP CC[C@H](C)Oc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533647860 931943680 /nfs/dbraw/zinc/94/36/80/931943680.db2.gz NFJMPPZHWVQGSG-IEXUWNMDSA-N 2 2 415.622 4.273 20 0 HIADLP CN(C(=O)CCSc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648490 931944809 /nfs/dbraw/zinc/94/48/09/931944809.db2.gz OPTKVUVZYDLHLE-FGZHOGPDSA-N 2 2 421.626 4.104 20 0 HIADLP CN(C(=O)CCSc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648490 931944817 /nfs/dbraw/zinc/94/48/17/931944817.db2.gz OPTKVUVZYDLHLE-FGZHOGPDSA-N 2 2 421.626 4.104 20 0 HIADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533880705 932078898 /nfs/dbraw/zinc/07/88/98/932078898.db2.gz SHLHZCYOBADRJB-QRVBRYPASA-N 2 2 407.562 4.090 20 0 HIADLP CN(C(=O)CCc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358652 932391965 /nfs/dbraw/zinc/39/19/65/932391965.db2.gz GGCIRZOOZBIPTI-YADHBBJMSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1ccccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358652 932391972 /nfs/dbraw/zinc/39/19/72/932391972.db2.gz GGCIRZOOZBIPTI-YADHBBJMSA-N 2 2 406.014 4.068 20 0 HIADLP Cc1cc(CCCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000534362558 932395964 /nfs/dbraw/zinc/39/59/64/932395964.db2.gz IMZVRRWREDZPIJ-PKTZIBPZSA-N 2 2 419.679 4.483 20 0 HIADLP Cc1cc(CCCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000534362558 932395967 /nfs/dbraw/zinc/39/59/67/932395967.db2.gz IMZVRRWREDZPIJ-PKTZIBPZSA-N 2 2 419.679 4.483 20 0 HIADLP CSc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534932051 932844254 /nfs/dbraw/zinc/84/42/54/932844254.db2.gz KSLHPJCNCAEDAO-RTWAWAEBSA-N 2 2 404.624 4.209 20 0 HIADLP CSc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534932051 932844256 /nfs/dbraw/zinc/84/42/56/932844256.db2.gz KSLHPJCNCAEDAO-RTWAWAEBSA-N 2 2 404.624 4.209 20 0 HIADLP C[C@@H]1CCc2sc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2C1 ZINC000535093611 932907845 /nfs/dbraw/zinc/90/78/45/932907845.db2.gz CWCMXHBORSJLDM-JRGCBEDISA-N 2 2 417.663 4.282 20 0 HIADLP C[C@@H]1CCc2sc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2C1 ZINC000535093611 932907859 /nfs/dbraw/zinc/90/78/59/932907859.db2.gz CWCMXHBORSJLDM-JRGCBEDISA-N 2 2 417.663 4.282 20 0 HIADLP Cc1cccc2c(CCC(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535097656 932914073 /nfs/dbraw/zinc/91/40/73/932914073.db2.gz XXAHMQZCEDVKEB-RPWUZVMVSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1cccc2c(CCC(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535097656 932914091 /nfs/dbraw/zinc/91/40/91/932914091.db2.gz XXAHMQZCEDVKEB-RPWUZVMVSA-N 2 2 424.633 4.205 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000535301425 933059436 /nfs/dbraw/zinc/05/94/36/933059436.db2.gz BJOAMNIHGNMHTK-QFIPXVFZSA-N 2 2 403.530 4.363 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000535301425 933059441 /nfs/dbraw/zinc/05/94/41/933059441.db2.gz BJOAMNIHGNMHTK-QFIPXVFZSA-N 2 2 403.530 4.363 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535655737 933300895 /nfs/dbraw/zinc/30/08/95/933300895.db2.gz QJGQTMFQQXPQSU-NHCUHLMSSA-N 2 2 420.573 4.025 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535655737 933300908 /nfs/dbraw/zinc/30/09/08/933300908.db2.gz QJGQTMFQQXPQSU-NHCUHLMSSA-N 2 2 420.573 4.025 20 0 HIADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@@H]21 ZINC000535807941 933402317 /nfs/dbraw/zinc/40/23/17/933402317.db2.gz JJIKUPBMUYOOIA-YJBOKZPZSA-N 2 2 406.393 4.489 20 0 HIADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@@H]21 ZINC000535807941 933402326 /nfs/dbraw/zinc/40/23/26/933402326.db2.gz JJIKUPBMUYOOIA-YJBOKZPZSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@@H]21 ZINC000535807941 933402332 /nfs/dbraw/zinc/40/23/32/933402332.db2.gz JJIKUPBMUYOOIA-YJBOKZPZSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@@H]21 ZINC000535807941 933402339 /nfs/dbraw/zinc/40/23/39/933402339.db2.gz JJIKUPBMUYOOIA-YJBOKZPZSA-N 2 2 406.393 4.489 20 0 HIADLP Cc1[nH]c2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849797 933432970 /nfs/dbraw/zinc/43/29/70/933432970.db2.gz RIGZSFUWKHHTLD-ZEQRLZLVSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1[nH]c2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849797 933432975 /nfs/dbraw/zinc/43/29/75/933432975.db2.gz RIGZSFUWKHHTLD-ZEQRLZLVSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1nc(CC(C)C)sc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850990 933434021 /nfs/dbraw/zinc/43/40/21/933434021.db2.gz YXAZFTLKTFBLEI-WOJBJXKFSA-N 2 2 420.667 4.059 20 0 HIADLP Cc1nc(CC(C)C)sc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850990 933434026 /nfs/dbraw/zinc/43/40/26/933434026.db2.gz YXAZFTLKTFBLEI-WOJBJXKFSA-N 2 2 420.667 4.059 20 0 HIADLP CN(C(=O)C/C=C/c1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851449 933434431 /nfs/dbraw/zinc/43/44/31/933434431.db2.gz AFAADWMHXRNPQP-RVPHUWKOSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)C/C=C/c1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851449 933434443 /nfs/dbraw/zinc/43/44/43/933434443.db2.gz AFAADWMHXRNPQP-RVPHUWKOSA-N 2 2 401.570 4.025 20 0 HIADLP Cc1nc(CC(C)C)sc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850987 933434610 /nfs/dbraw/zinc/43/46/10/933434610.db2.gz YXAZFTLKTFBLEI-PMACEKPBSA-N 2 2 420.667 4.059 20 0 HIADLP Cc1nc(CC(C)C)sc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850987 933434615 /nfs/dbraw/zinc/43/46/15/933434615.db2.gz YXAZFTLKTFBLEI-PMACEKPBSA-N 2 2 420.667 4.059 20 0 HIADLP CN(C(=O)CCSc1ccccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851992 933436018 /nfs/dbraw/zinc/43/60/18/933436018.db2.gz ZZVSKNHDRCHJED-NHCUHLMSSA-N 2 2 421.626 4.104 20 0 HIADLP CN(C(=O)CCSc1ccccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851992 933436022 /nfs/dbraw/zinc/43/60/22/933436022.db2.gz ZZVSKNHDRCHJED-NHCUHLMSSA-N 2 2 421.626 4.104 20 0 HIADLP CCSc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000535987669 933547119 /nfs/dbraw/zinc/54/71/19/933547119.db2.gz WYQDFEWUPQRKFC-LJQANCHMSA-N 2 2 400.588 4.360 20 0 HIADLP COC(=O)c1ccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000537301132 933704838 /nfs/dbraw/zinc/70/48/38/933704838.db2.gz BEBXXRQBLMEJJU-UHFFFAOYSA-N 2 2 401.466 4.268 20 0 HIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000537321096 933715325 /nfs/dbraw/zinc/71/53/25/933715325.db2.gz MQXFLEVILZLPMM-NRFANRHFSA-N 2 2 424.980 4.290 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)NCCCCNc3cccc[nH+]3)c2)CC1 ZINC000537672433 938350985 /nfs/dbraw/zinc/35/09/85/938350985.db2.gz YHPKIXLGLRADFA-UHFFFAOYSA-N 2 2 409.578 4.370 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694371 938356873 /nfs/dbraw/zinc/35/68/73/938356873.db2.gz IGVKMDLGCFKHIJ-FCHUYYIVSA-N 2 2 410.558 4.199 20 0 HIADLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694371 938356877 /nfs/dbraw/zinc/35/68/77/938356877.db2.gz IGVKMDLGCFKHIJ-FCHUYYIVSA-N 2 2 410.558 4.199 20 0 HIADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694371 938356881 /nfs/dbraw/zinc/35/68/81/938356881.db2.gz IGVKMDLGCFKHIJ-FCHUYYIVSA-N 2 2 410.558 4.199 20 0 HIADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694371 938356883 /nfs/dbraw/zinc/35/68/83/938356883.db2.gz IGVKMDLGCFKHIJ-FCHUYYIVSA-N 2 2 410.558 4.199 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3c(Cl)cccc3N3CCCC3)[nH+]c2)CC1 ZINC000537776733 938374583 /nfs/dbraw/zinc/37/45/83/938374583.db2.gz MBSQHXPJCXJZBM-UHFFFAOYSA-N 2 2 413.997 4.478 20 0 HIADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1nc2c(s1)CCCC2 ZINC000537885026 938399483 /nfs/dbraw/zinc/39/94/83/938399483.db2.gz XNRLZUAJMGARGU-JKSUJKDBSA-N 2 2 402.583 4.325 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(N[C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)cc2)CC1 ZINC000538539806 938644657 /nfs/dbraw/zinc/64/46/57/938644657.db2.gz ZIWBOSNJOUVUPO-FQEVSTJZSA-N 2 2 403.574 4.491 20 0 HIADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000538557262 938648614 /nfs/dbraw/zinc/64/86/14/938648614.db2.gz IVGMKQWEFXAZNI-XMSQKQJNSA-N 2 2 424.593 4.269 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128279 938807719 /nfs/dbraw/zinc/80/77/19/938807719.db2.gz QMBAIBWYYYCRJB-SFTDATJTSA-N 2 2 403.929 4.106 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128279 938807720 /nfs/dbraw/zinc/80/77/20/938807720.db2.gz QMBAIBWYYYCRJB-SFTDATJTSA-N 2 2 403.929 4.106 20 0 HIADLP CC(C)c1ccc(-c2ncc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)s2)cc1 ZINC000539222732 938821120 /nfs/dbraw/zinc/82/11/20/938821120.db2.gz YKSLOCBRSQAVEQ-UHFFFAOYSA-N 2 2 400.636 4.391 20 0 HIADLP CC(C)c1ccc(-c2ncc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)s2)cc1 ZINC000539222732 938821121 /nfs/dbraw/zinc/82/11/21/938821121.db2.gz YKSLOCBRSQAVEQ-UHFFFAOYSA-N 2 2 400.636 4.391 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000539313078 938839317 /nfs/dbraw/zinc/83/93/17/938839317.db2.gz OIVQBDKEBSIYFP-OAHLLOKOSA-N 2 2 400.473 4.099 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc(C(F)(F)F)cs2)CC1 ZINC000539313873 938839601 /nfs/dbraw/zinc/83/96/01/938839601.db2.gz RICAMDPKYHTOBU-ZDUSSCGKSA-N 2 2 416.488 4.294 20 0 HIADLP Cc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539457842 938863608 /nfs/dbraw/zinc/86/36/08/938863608.db2.gz OANFBBCAUZKXCR-NHCUHLMSSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539457842 938863609 /nfs/dbraw/zinc/86/36/09/938863609.db2.gz OANFBBCAUZKXCR-NHCUHLMSSA-N 2 2 407.002 4.449 20 0 HIADLP COc1cc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)ccc1OC(F)F ZINC000539658180 938895276 /nfs/dbraw/zinc/89/52/76/938895276.db2.gz RWMHINBOKJDZGK-YOEHRIQHSA-N 2 2 406.477 4.005 20 0 HIADLP Cc1c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cnn1-c1ccc(F)cc1 ZINC000539658516 938895505 /nfs/dbraw/zinc/89/55/05/938895505.db2.gz AVGKFTBYGSYUKU-HRAATJIYSA-N 2 2 408.525 4.028 20 0 HIADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539689625 938901872 /nfs/dbraw/zinc/90/18/72/938901872.db2.gz OQVGIEDPQNTCQG-MRXNPFEDSA-N 2 2 415.969 4.095 20 0 HIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[N@@H+]1C ZINC000539818337 938942623 /nfs/dbraw/zinc/94/26/23/938942623.db2.gz WISGZCVTPHMSHD-OXJNMPFZSA-N 2 2 418.379 4.338 20 0 HIADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[N@H+]1C ZINC000539818337 938942632 /nfs/dbraw/zinc/94/26/32/938942632.db2.gz WISGZCVTPHMSHD-OXJNMPFZSA-N 2 2 418.379 4.338 20 0 HIADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[NH+]1C ZINC000539818337 938942643 /nfs/dbraw/zinc/94/26/43/938942643.db2.gz WISGZCVTPHMSHD-OXJNMPFZSA-N 2 2 418.379 4.338 20 0 HIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[NH+]1C ZINC000539818337 938942650 /nfs/dbraw/zinc/94/26/50/938942650.db2.gz WISGZCVTPHMSHD-OXJNMPFZSA-N 2 2 418.379 4.338 20 0 HIADLP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000539819074 938942911 /nfs/dbraw/zinc/94/29/11/938942911.db2.gz KIVNXJYTNUVZOF-LJQANCHMSA-N 2 2 403.368 4.085 20 0 HIADLP Brc1ccc(-n2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000539819074 938942917 /nfs/dbraw/zinc/94/29/17/938942917.db2.gz KIVNXJYTNUVZOF-LJQANCHMSA-N 2 2 403.368 4.085 20 0 HIADLP COc1c(Br)cc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000539835047 938953138 /nfs/dbraw/zinc/95/31/38/938953138.db2.gz RKRVOUKTRBRXPE-BXUZGUMPSA-N 2 2 420.189 4.135 20 0 HIADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000539835047 938953139 /nfs/dbraw/zinc/95/31/39/938953139.db2.gz RKRVOUKTRBRXPE-BXUZGUMPSA-N 2 2 420.189 4.135 20 0 HIADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000539835047 938953140 /nfs/dbraw/zinc/95/31/40/938953140.db2.gz RKRVOUKTRBRXPE-BXUZGUMPSA-N 2 2 420.189 4.135 20 0 HIADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000539835047 938953141 /nfs/dbraw/zinc/95/31/41/938953141.db2.gz RKRVOUKTRBRXPE-BXUZGUMPSA-N 2 2 420.189 4.135 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000540147794 939091529 /nfs/dbraw/zinc/09/15/29/939091529.db2.gz ZFAPNAWOFMUFGI-UTKZUKDTSA-N 2 2 407.480 4.161 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000540147794 939091533 /nfs/dbraw/zinc/09/15/33/939091533.db2.gz ZFAPNAWOFMUFGI-UTKZUKDTSA-N 2 2 407.480 4.161 20 0 HIADLP C[C@@H](CC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000540494676 939274348 /nfs/dbraw/zinc/27/43/48/939274348.db2.gz HDQRYNJFISTBKU-URXFXBBRSA-N 3 2 407.602 4.475 20 0 HIADLP C[C@@H](CC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000540494676 939274355 /nfs/dbraw/zinc/27/43/55/939274355.db2.gz HDQRYNJFISTBKU-URXFXBBRSA-N 3 2 407.602 4.475 20 0 HIADLP Cc1ccc(OCc2nc(C[NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)cs2)cc1 ZINC000540802856 939377891 /nfs/dbraw/zinc/37/78/91/939377891.db2.gz UIGLGPBSOQOUFC-UHFFFAOYSA-N 2 2 423.586 4.196 20 0 HIADLP COC(=O)c1ccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[nH]1 ZINC000540995898 939427871 /nfs/dbraw/zinc/42/78/71/939427871.db2.gz IXGJSVSXMNDWGW-UHFFFAOYSA-N 2 2 400.482 4.003 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cc2ccccc2o1 ZINC000541202887 939485431 /nfs/dbraw/zinc/48/54/31/939485431.db2.gz PHYFJTGXOMNDOU-MOPGFXCFSA-N 2 2 408.546 4.387 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccco1 ZINC000541396981 939504982 /nfs/dbraw/zinc/50/49/82/939504982.db2.gz ZQUHAJZHLSQORA-PZJWPPBQSA-N 2 2 412.578 4.286 20 0 HIADLP CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541536529 939546398 /nfs/dbraw/zinc/54/63/98/939546398.db2.gz YIEQDOUDQNTGKP-UHFFFAOYSA-N 2 2 408.449 4.202 20 0 HIADLP CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541536529 939546399 /nfs/dbraw/zinc/54/63/99/939546399.db2.gz YIEQDOUDQNTGKP-UHFFFAOYSA-N 2 2 408.449 4.202 20 0 HIADLP Cc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)cc1 ZINC000541599449 939563987 /nfs/dbraw/zinc/56/39/87/939563987.db2.gz MVWYSJGVAACAMJ-IEBWSBKVSA-N 2 2 412.603 4.300 20 0 HIADLP Cc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)cc1 ZINC000541599449 939563989 /nfs/dbraw/zinc/56/39/89/939563989.db2.gz MVWYSJGVAACAMJ-IEBWSBKVSA-N 2 2 412.603 4.300 20 0 HIADLP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600501 939564465 /nfs/dbraw/zinc/56/44/65/939564465.db2.gz JRDSQDCQQSAJFW-ZSXJVMONSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600501 939564467 /nfs/dbraw/zinc/56/44/67/939564467.db2.gz JRDSQDCQQSAJFW-ZSXJVMONSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C[NH2+][C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000541600501 939564471 /nfs/dbraw/zinc/56/44/71/939564471.db2.gz JRDSQDCQQSAJFW-ZSXJVMONSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C[NH2+][C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000541600501 939564472 /nfs/dbraw/zinc/56/44/72/939564472.db2.gz JRDSQDCQQSAJFW-ZSXJVMONSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](NC[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600501 939564475 /nfs/dbraw/zinc/56/44/75/939564475.db2.gz JRDSQDCQQSAJFW-ZSXJVMONSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](NC[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600501 939564478 /nfs/dbraw/zinc/56/44/78/939564478.db2.gz JRDSQDCQQSAJFW-ZSXJVMONSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](NC[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600501 939564480 /nfs/dbraw/zinc/56/44/80/939564480.db2.gz JRDSQDCQQSAJFW-ZSXJVMONSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](NC[C@H](C)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600501 939564482 /nfs/dbraw/zinc/56/44/82/939564482.db2.gz JRDSQDCQQSAJFW-ZSXJVMONSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@H](CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600501 939564484 /nfs/dbraw/zinc/56/44/84/939564484.db2.gz JRDSQDCQQSAJFW-ZSXJVMONSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@H](CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600501 939564485 /nfs/dbraw/zinc/56/44/85/939564485.db2.gz JRDSQDCQQSAJFW-ZSXJVMONSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@H](CN[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600501 939564490 /nfs/dbraw/zinc/56/44/90/939564490.db2.gz JRDSQDCQQSAJFW-ZSXJVMONSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@H](CN[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600501 939564492 /nfs/dbraw/zinc/56/44/92/939564492.db2.gz JRDSQDCQQSAJFW-ZSXJVMONSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603384 939566318 /nfs/dbraw/zinc/56/63/18/939566318.db2.gz SVVNLCBNZVIJAF-CVEARBPZSA-N 2 2 423.395 4.353 20 0 HIADLP C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603384 939566320 /nfs/dbraw/zinc/56/63/20/939566320.db2.gz SVVNLCBNZVIJAF-CVEARBPZSA-N 2 2 423.395 4.353 20 0 HIADLP CC[N@H+](Cc1nnc(C2CC2)n1C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000542104074 939714654 /nfs/dbraw/zinc/71/46/54/939714654.db2.gz FRYMZQMZWVKTBI-UHFFFAOYSA-N 2 2 423.609 4.203 20 0 HIADLP CC[N@@H+](Cc1nnc(C2CC2)n1C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000542104074 939714656 /nfs/dbraw/zinc/71/46/56/939714656.db2.gz FRYMZQMZWVKTBI-UHFFFAOYSA-N 2 2 423.609 4.203 20 0 HIADLP Brc1ccc(N2CC[C@H](C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000542319161 939798434 /nfs/dbraw/zinc/79/84/34/939798434.db2.gz CTGGVBPJSCHWIJ-OAHLLOKOSA-N 2 2 417.376 4.312 20 0 HIADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)cc2)n1 ZINC000542317443 939798541 /nfs/dbraw/zinc/79/85/41/939798541.db2.gz XWZZVUSRVNDHKG-UHFFFAOYSA-N 2 2 403.433 4.428 20 0 HIADLP COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cn1 ZINC000542317576 939798590 /nfs/dbraw/zinc/79/85/90/939798590.db2.gz BNLUESNIQSFHCA-UHFFFAOYSA-N 2 2 422.510 4.428 20 0 HIADLP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542328826 939801400 /nfs/dbraw/zinc/80/14/00/939801400.db2.gz MJIGJKPXGFDTGT-PKTZIBPZSA-N 2 2 420.601 4.274 20 0 HIADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542328826 939801403 /nfs/dbraw/zinc/80/14/03/939801403.db2.gz MJIGJKPXGFDTGT-PKTZIBPZSA-N 2 2 420.601 4.274 20 0 HIADLP C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000542328830 939801476 /nfs/dbraw/zinc/80/14/76/939801476.db2.gz MOIAOJZNFFCTEB-KNQAVFIVSA-N 2 2 420.601 4.056 20 0 HIADLP C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000542328830 939801477 /nfs/dbraw/zinc/80/14/77/939801477.db2.gz MOIAOJZNFFCTEB-KNQAVFIVSA-N 2 2 420.601 4.056 20 0 HIADLP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000542336200 939802730 /nfs/dbraw/zinc/80/27/30/939802730.db2.gz PFAFMPHYBUDUQG-QHCPKHFHSA-N 2 2 420.601 4.228 20 0 HIADLP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000542336200 939802732 /nfs/dbraw/zinc/80/27/32/939802732.db2.gz PFAFMPHYBUDUQG-QHCPKHFHSA-N 2 2 420.601 4.228 20 0 HIADLP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542335713 939802819 /nfs/dbraw/zinc/80/28/19/939802819.db2.gz CQXUVKGMWGQIFE-UPVQGACJSA-N 2 2 420.601 4.447 20 0 HIADLP CC(C)CN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000542356426 939806779 /nfs/dbraw/zinc/80/67/79/939806779.db2.gz PERMBLUDXIGVRT-FQEVSTJZSA-N 2 2 400.611 4.072 20 0 HIADLP CC[NH+](CC)CCCC1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000542984253 939891532 /nfs/dbraw/zinc/89/15/32/939891532.db2.gz XHGNZXUNCRONGZ-UHFFFAOYSA-N 2 2 415.626 4.116 20 0 HIADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000543045972 939907933 /nfs/dbraw/zinc/90/79/33/939907933.db2.gz PBYSRAHUDGZYKX-HXUWFJFHSA-N 2 2 411.594 4.214 20 0 HIADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543268084 940013426 /nfs/dbraw/zinc/01/34/26/940013426.db2.gz MWNODGJRESGFAL-UPVQGACJSA-N 2 2 420.601 4.447 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000543395054 940050160 /nfs/dbraw/zinc/05/01/60/940050160.db2.gz VTKZFRQXXVVCGX-NRFANRHFSA-N 2 2 400.486 4.353 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000543395054 940050164 /nfs/dbraw/zinc/05/01/64/940050164.db2.gz VTKZFRQXXVVCGX-NRFANRHFSA-N 2 2 400.486 4.353 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000543397041 940051291 /nfs/dbraw/zinc/05/12/91/940051291.db2.gz TTYULUWNLDVTLF-UHFFFAOYSA-N 2 2 414.431 4.088 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)c1ccsc1 ZINC000543537200 940097668 /nfs/dbraw/zinc/09/76/68/940097668.db2.gz IMPXYTPFCNYTCQ-NRFANRHFSA-N 2 2 423.586 4.272 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000543591153 940122662 /nfs/dbraw/zinc/12/26/62/940122662.db2.gz DNTZKRZCMSNKHW-RPWUZVMVSA-N 2 2 418.647 4.467 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)c2)cc[nH+]1 ZINC000543614618 940131897 /nfs/dbraw/zinc/13/18/97/940131897.db2.gz GOPHOCSOHYRPAM-UHFFFAOYSA-N 2 2 401.514 4.245 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000543869345 940217459 /nfs/dbraw/zinc/21/74/59/940217459.db2.gz KRNKGFQPKQSKAQ-OAHLLOKOSA-N 2 2 413.319 4.233 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000543869344 940217653 /nfs/dbraw/zinc/21/76/53/940217653.db2.gz KRNKGFQPKQSKAQ-HNNXBMFYSA-N 2 2 413.319 4.233 20 0 HIADLP C[C@H](CSc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544035420 940305997 /nfs/dbraw/zinc/30/59/97/940305997.db2.gz ILXGGNQTYAGGTG-OIBXWCBGSA-N 2 2 417.663 4.210 20 0 HIADLP C[C@H](CSc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544035420 940306001 /nfs/dbraw/zinc/30/60/01/940306001.db2.gz ILXGGNQTYAGGTG-OIBXWCBGSA-N 2 2 417.663 4.210 20 0 HIADLP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544108438 940328467 /nfs/dbraw/zinc/32/84/67/940328467.db2.gz CYPPFZYOSPOBEQ-UHFFFAOYSA-N 2 2 404.923 4.023 20 0 HIADLP CCC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000544171642 940342997 /nfs/dbraw/zinc/34/29/97/940342997.db2.gz MEESYRGGNFAQEM-JOCHJYFZSA-N 2 2 423.586 4.431 20 0 HIADLP CC(C)[N@H+](C)Cc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000544526161 940471756 /nfs/dbraw/zinc/47/17/56/940471756.db2.gz DCIIXHVLHOAIIW-UHFFFAOYSA-N 2 2 406.530 4.076 20 0 HIADLP CC(C)[N@@H+](C)Cc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000544526161 940471759 /nfs/dbraw/zinc/47/17/59/940471759.db2.gz DCIIXHVLHOAIIW-UHFFFAOYSA-N 2 2 406.530 4.076 20 0 HIADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)CC3 ZINC000545191631 940555198 /nfs/dbraw/zinc/55/51/98/940555198.db2.gz WGYQFCRLKOJIHW-XLIONFOSSA-N 2 2 404.558 4.244 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000545205452 940555761 /nfs/dbraw/zinc/55/57/61/940555761.db2.gz LLQLNJPRAXLTFW-MRXNPFEDSA-N 2 2 401.576 4.187 20 0 HIADLP CN(C(=O)c1scnc1C1CCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545344284 940563430 /nfs/dbraw/zinc/56/34/30/940563430.db2.gz ZMRIGUVNWMJQNJ-PMACEKPBSA-N 2 2 418.651 4.210 20 0 HIADLP CN(C(=O)c1scnc1C1CCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545344284 940563433 /nfs/dbraw/zinc/56/34/33/940563433.db2.gz ZMRIGUVNWMJQNJ-PMACEKPBSA-N 2 2 418.651 4.210 20 0 HIADLP C[NH+](C)CCOc1ccccc1-c1noc(/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000545687339 940580737 /nfs/dbraw/zinc/58/07/37/940580737.db2.gz JDQXAPBGGYZOAM-XFXZXTDPSA-N 2 2 401.470 4.033 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000546619312 940861451 /nfs/dbraw/zinc/86/14/51/940861451.db2.gz MDZBCVBBYSBOCH-ZKOIANSBSA-N 2 2 418.581 4.291 20 0 HIADLP C[C@H](CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546667080 940867605 /nfs/dbraw/zinc/86/76/05/940867605.db2.gz CIORXFRKFXCKDP-HUVFLSCGSA-N 2 2 414.638 4.159 20 0 HIADLP C[C@H](CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546667080 940867606 /nfs/dbraw/zinc/86/76/06/940867606.db2.gz CIORXFRKFXCKDP-HUVFLSCGSA-N 2 2 414.638 4.159 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000547508461 941066478 /nfs/dbraw/zinc/06/64/78/941066478.db2.gz IMLBTRYNXKRUDD-HNAYVOBHSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000547508461 941066480 /nfs/dbraw/zinc/06/64/80/941066480.db2.gz IMLBTRYNXKRUDD-HNAYVOBHSA-N 2 2 406.357 4.432 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C[C@H]1c1ccccc1 ZINC000550704647 941356751 /nfs/dbraw/zinc/35/67/51/941356751.db2.gz YWZNBECKTJWEER-FIKGOQFSSA-N 2 2 401.913 4.010 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C[C@H]1c1ccccc1 ZINC000550704647 941356753 /nfs/dbraw/zinc/35/67/53/941356753.db2.gz YWZNBECKTJWEER-FIKGOQFSSA-N 2 2 401.913 4.010 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000550897871 941380491 /nfs/dbraw/zinc/38/04/91/941380491.db2.gz JKJVNDZTVJGIFA-YADARESESA-N 2 2 409.549 4.132 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@@H]1c1ccccc1 ZINC000551085977 941406856 /nfs/dbraw/zinc/40/68/56/941406856.db2.gz KIUCIIQFJRUJHD-IRFCIJBXSA-N 2 2 417.475 4.236 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@@H]1c1ccccc1 ZINC000551085977 941406858 /nfs/dbraw/zinc/40/68/58/941406858.db2.gz KIUCIIQFJRUJHD-IRFCIJBXSA-N 2 2 417.475 4.236 20 0 HIADLP COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CCN2C2CC2)c1 ZINC000551164302 941420783 /nfs/dbraw/zinc/42/07/83/941420783.db2.gz VWHGLIKQOXOEBR-XDWXJERXSA-N 2 2 405.586 4.398 20 0 HIADLP COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CCN2C2CC2)c1 ZINC000551164302 941420785 /nfs/dbraw/zinc/42/07/85/941420785.db2.gz VWHGLIKQOXOEBR-XDWXJERXSA-N 2 2 405.586 4.398 20 0 HIADLP C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000551340872 941456279 /nfs/dbraw/zinc/45/62/79/941456279.db2.gz UHWPSUINPILWKQ-GOSISDBHSA-N 2 2 424.854 4.343 20 0 HIADLP C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000551340872 941456280 /nfs/dbraw/zinc/45/62/80/941456280.db2.gz UHWPSUINPILWKQ-GOSISDBHSA-N 2 2 424.854 4.343 20 0 HIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc2c(ccc3ccccc23)o1 ZINC000552099527 941584575 /nfs/dbraw/zinc/58/45/75/941584575.db2.gz LNLYMFDQXZSRAE-VOBGVNJCSA-N 2 2 405.542 4.320 20 0 HIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc2c(ccc3ccccc23)o1 ZINC000552099527 941584578 /nfs/dbraw/zinc/58/45/78/941584578.db2.gz LNLYMFDQXZSRAE-VOBGVNJCSA-N 2 2 405.542 4.320 20 0 HIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Oc2ccccc2)cc1 ZINC000552098451 941584804 /nfs/dbraw/zinc/58/48/04/941584804.db2.gz DFQYFYIJMOHHOR-VEEZFSHISA-N 2 2 407.558 4.213 20 0 HIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Oc2ccccc2)cc1 ZINC000552098451 941584808 /nfs/dbraw/zinc/58/48/08/941584808.db2.gz DFQYFYIJMOHHOR-VEEZFSHISA-N 2 2 407.558 4.213 20 0 HIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(SC2CCCC2)cc1 ZINC000552333844 941635279 /nfs/dbraw/zinc/63/52/79/941635279.db2.gz QIZMXYGHBJFSJZ-LBFURVHYSA-N 2 2 415.647 4.456 20 0 HIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(SC2CCCC2)cc1 ZINC000552333844 941635283 /nfs/dbraw/zinc/63/52/83/941635283.db2.gz QIZMXYGHBJFSJZ-LBFURVHYSA-N 2 2 415.647 4.456 20 0 HIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)CC1 ZINC000552551596 941704728 /nfs/dbraw/zinc/70/47/28/941704728.db2.gz UDKWBBWPNCGSAP-IBGZPJMESA-N 2 2 421.651 4.211 20 0 HIADLP CC1CC[NH+](Cc2ccccc2CNC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000552678146 941735250 /nfs/dbraw/zinc/73/52/50/941735250.db2.gz SBXBIPIFGBBOFE-UHFFFAOYSA-N 2 2 409.578 4.005 20 0 HIADLP C[C@@H]1C[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000553163138 941842981 /nfs/dbraw/zinc/84/29/81/941842981.db2.gz GNWNBHCUACKMGD-UEVCKROQSA-N 2 2 402.542 4.101 20 0 HIADLP C[C@@H]1C[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000553163138 941842983 /nfs/dbraw/zinc/84/29/83/941842983.db2.gz GNWNBHCUACKMGD-UEVCKROQSA-N 2 2 402.542 4.101 20 0 HIADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000553359116 941872667 /nfs/dbraw/zinc/87/26/67/941872667.db2.gz UXDPFMRLPMDGOF-FXAWDEMLSA-N 2 2 421.614 4.483 20 0 HIADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)CC1 ZINC000553409462 941880403 /nfs/dbraw/zinc/88/04/03/941880403.db2.gz AXCCXSQRHPQKFR-KRWDZBQOSA-N 2 2 417.956 4.219 20 0 HIADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)CC1 ZINC000553409467 941880648 /nfs/dbraw/zinc/88/06/48/941880648.db2.gz AXCCXSQRHPQKFR-QGZVFWFLSA-N 2 2 417.956 4.219 20 0 HIADLP C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@H](c1ccccc1)[NH+](C)C ZINC000554385605 942121642 /nfs/dbraw/zinc/12/16/42/942121642.db2.gz FNQJGNQRNCBJIP-MBOZVWFJSA-N 2 2 415.607 4.188 20 0 HIADLP C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@H](c1ccccc1)[NH+](C)C ZINC000554385605 942121648 /nfs/dbraw/zinc/12/16/48/942121648.db2.gz FNQJGNQRNCBJIP-MBOZVWFJSA-N 2 2 415.607 4.188 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000554841680 942279969 /nfs/dbraw/zinc/27/99/69/942279969.db2.gz MSAZVLVJORQKGS-FQEVSTJZSA-N 2 2 403.929 4.308 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000554841680 942279980 /nfs/dbraw/zinc/27/99/80/942279980.db2.gz MSAZVLVJORQKGS-FQEVSTJZSA-N 2 2 403.929 4.308 20 0 HIADLP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000555003517 942350992 /nfs/dbraw/zinc/35/09/92/942350992.db2.gz ZRMBEQZSNDQXKR-SUMWQHHRSA-N 2 2 400.320 4.240 20 0 HIADLP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555510706 942613833 /nfs/dbraw/zinc/61/38/33/942613833.db2.gz WHAJEPGWKWIORR-SKWRMQMOSA-N 2 2 418.025 4.239 20 0 HIADLP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555510706 942613856 /nfs/dbraw/zinc/61/38/56/942613856.db2.gz WHAJEPGWKWIORR-SKWRMQMOSA-N 2 2 418.025 4.239 20 0 HIADLP CSCc1cnc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000555612164 942668812 /nfs/dbraw/zinc/66/88/12/942668812.db2.gz KCOSGLQTNNTSRG-LJQANCHMSA-N 2 2 417.644 4.025 20 0 HIADLP CSCc1cnc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000555612164 942668826 /nfs/dbraw/zinc/66/88/26/942668826.db2.gz KCOSGLQTNNTSRG-LJQANCHMSA-N 2 2 417.644 4.025 20 0 HIADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000555713530 942710277 /nfs/dbraw/zinc/71/02/77/942710277.db2.gz WUFIVMXXRWGJNZ-XQBPLPMBSA-N 2 2 400.588 4.184 20 0 HIADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000555713530 942710286 /nfs/dbraw/zinc/71/02/86/942710286.db2.gz WUFIVMXXRWGJNZ-XQBPLPMBSA-N 2 2 400.588 4.184 20 0 HIADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000555713527 942710493 /nfs/dbraw/zinc/71/04/93/942710493.db2.gz WUFIVMXXRWGJNZ-CNNODRBYSA-N 2 2 400.588 4.184 20 0 HIADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000555713527 942710500 /nfs/dbraw/zinc/71/05/00/942710500.db2.gz WUFIVMXXRWGJNZ-CNNODRBYSA-N 2 2 400.588 4.184 20 0 HIADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000558493673 943574907 /nfs/dbraw/zinc/57/49/07/943574907.db2.gz HUYOYQWJEZANOZ-SFHVURJKSA-N 2 2 417.488 4.482 20 0 HIADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCCCn1cc[nH+]c1 ZINC000560495328 944238039 /nfs/dbraw/zinc/23/80/39/944238039.db2.gz LDQMYVPZFJRZTA-ZDUSSCGKSA-N 2 2 402.848 4.342 20 0 HIADLP CCOc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc(Br)c1O ZINC000560852414 944358473 /nfs/dbraw/zinc/35/84/73/944358473.db2.gz HSLPCERKMURUSJ-UHFFFAOYSA-N 2 2 420.282 4.168 20 0 HIADLP COc1cccc(OC)c1OCCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000565386693 945822242 /nfs/dbraw/zinc/82/22/42/945822242.db2.gz UOYFIUFPVOXHKW-LJQANCHMSA-N 2 2 413.562 4.275 20 0 HIADLP COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000565386693 945822243 /nfs/dbraw/zinc/82/22/43/945822243.db2.gz UOYFIUFPVOXHKW-LJQANCHMSA-N 2 2 413.562 4.275 20 0 HIADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000565861127 945897041 /nfs/dbraw/zinc/89/70/41/945897041.db2.gz REXSZSPEUAXPTP-UHFFFAOYSA-N 2 2 401.466 4.268 20 0 HIADLP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000567189629 946265462 /nfs/dbraw/zinc/26/54/62/946265462.db2.gz MJLXKHZXCYAMFY-SFTDATJTSA-N 2 2 416.610 4.026 20 0 HIADLP CCCOc1c(Br)cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OCC ZINC000567282090 946290690 /nfs/dbraw/zinc/29/06/90/946290690.db2.gz CKPCYYWGWZRBQF-MRXNPFEDSA-N 2 2 422.367 4.360 20 0 HIADLP CCCOc1c(Br)cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OCC ZINC000567282090 946290710 /nfs/dbraw/zinc/29/07/10/946290710.db2.gz CKPCYYWGWZRBQF-MRXNPFEDSA-N 2 2 422.367 4.360 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000568419335 946536774 /nfs/dbraw/zinc/53/67/74/946536774.db2.gz DKXSCDMYRRPFCJ-WMZHIEFXSA-N 2 2 424.564 4.121 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000568419335 946536782 /nfs/dbraw/zinc/53/67/82/946536782.db2.gz DKXSCDMYRRPFCJ-WMZHIEFXSA-N 2 2 424.564 4.121 20 0 HIADLP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc(Oc5ccccc5)nn4)C[C@H]3C2)cc1 ZINC000568970744 946787795 /nfs/dbraw/zinc/78/77/95/946787795.db2.gz DVKLMEDENNQERC-FCHUYYIVSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc(Oc5ccccc5)nn4)C[C@H]3C2)cc1 ZINC000568970744 946787816 /nfs/dbraw/zinc/78/78/16/946787816.db2.gz DVKLMEDENNQERC-FCHUYYIVSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc(Oc5ccccc5)nn4)C[C@H]3C2)cc1 ZINC000568970744 946787846 /nfs/dbraw/zinc/78/78/46/946787846.db2.gz DVKLMEDENNQERC-FCHUYYIVSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc(Oc5ccccc5)nn4)C[C@H]3C2)cc1 ZINC000568970744 946787879 /nfs/dbraw/zinc/78/78/79/946787879.db2.gz DVKLMEDENNQERC-FCHUYYIVSA-N 2 2 400.526 4.223 20 0 HIADLP C[C@H]1C[N@H+](CC(Cc2ccccc2)Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000570559604 947298240 /nfs/dbraw/zinc/29/82/40/947298240.db2.gz IZCYHWLTJZPRIA-WNCULLNHSA-N 2 2 405.630 4.046 20 0 HIADLP C[C@H]1C[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000570559604 947298270 /nfs/dbraw/zinc/29/82/70/947298270.db2.gz IZCYHWLTJZPRIA-WNCULLNHSA-N 2 2 405.630 4.046 20 0 HIADLP CC(C)Oc1ccc(Cl)cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000571210513 947550140 /nfs/dbraw/zinc/55/01/40/947550140.db2.gz GPRAUGUXZGJBDY-UHFFFAOYSA-N 2 2 423.001 4.199 20 0 HIADLP CC[N@H+](C)[C@H](c1nc(-c2ccc(N3CC[NH+](CC)CC3)c(F)c2)no1)c1ccccc1 ZINC000571802216 947789572 /nfs/dbraw/zinc/78/95/72/947789572.db2.gz CGBZFVOPGKUPAK-QFIPXVFZSA-N 2 2 423.536 4.059 20 0 HIADLP CC[N@@H+](C)[C@H](c1nc(-c2ccc(N3CC[NH+](CC)CC3)c(F)c2)no1)c1ccccc1 ZINC000571802216 947789575 /nfs/dbraw/zinc/78/95/75/947789575.db2.gz CGBZFVOPGKUPAK-QFIPXVFZSA-N 2 2 423.536 4.059 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323774 947885088 /nfs/dbraw/zinc/88/50/88/947885088.db2.gz ZAAQEQCKZRVOAN-CEXWTWQISA-N 2 2 417.594 4.215 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323774 947885096 /nfs/dbraw/zinc/88/50/96/947885096.db2.gz ZAAQEQCKZRVOAN-CEXWTWQISA-N 2 2 417.594 4.215 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323774 947885097 /nfs/dbraw/zinc/88/50/97/947885097.db2.gz ZAAQEQCKZRVOAN-CEXWTWQISA-N 2 2 417.594 4.215 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323774 947885098 /nfs/dbraw/zinc/88/50/98/947885098.db2.gz ZAAQEQCKZRVOAN-CEXWTWQISA-N 2 2 417.594 4.215 20 0 HIADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3OC(F)(F)F)c2)CCO1 ZINC000573391809 948179170 /nfs/dbraw/zinc/17/91/70/948179170.db2.gz QNZFIEYFOZABDK-HNNXBMFYSA-N 2 2 412.427 4.235 20 0 HIADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3OC(F)(F)F)c2)CCO1 ZINC000573391809 948179180 /nfs/dbraw/zinc/17/91/80/948179180.db2.gz QNZFIEYFOZABDK-HNNXBMFYSA-N 2 2 412.427 4.235 20 0 HIADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc(C)c2c1 ZINC001164833981 720544832 /nfs/dbraw/zinc/54/48/32/720544832.db2.gz CDYFQLFCNMQQSC-MZLICYQSSA-N 2 2 419.573 4.126 20 0 HIADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc(C)c2c1 ZINC001164833981 720544836 /nfs/dbraw/zinc/54/48/36/720544836.db2.gz CDYFQLFCNMQQSC-MZLICYQSSA-N 2 2 419.573 4.126 20 0 HIADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc(C)c2c1 ZINC001164833974 720545339 /nfs/dbraw/zinc/54/53/39/720545339.db2.gz CDYFQLFCNMQQSC-JXALWOEJSA-N 2 2 419.573 4.126 20 0 HIADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc(C)c2c1 ZINC001164833974 720545343 /nfs/dbraw/zinc/54/53/43/720545343.db2.gz CDYFQLFCNMQQSC-JXALWOEJSA-N 2 2 419.573 4.126 20 0 HIADLP Cc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(C(C)(C)C)[nH+]1 ZINC001164836949 720717480 /nfs/dbraw/zinc/71/74/80/720717480.db2.gz CAPUDWCTMUDEKS-NRFANRHFSA-N 2 2 408.590 4.342 20 0 HIADLP Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C(C)(C)C)[nH+]1 ZINC001164836949 720717493 /nfs/dbraw/zinc/71/74/93/720717493.db2.gz CAPUDWCTMUDEKS-NRFANRHFSA-N 2 2 408.590 4.342 20 0 HIADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc(C2CCCCC2)[nH+]1 ZINC001164810540 721572984 /nfs/dbraw/zinc/57/29/84/721572984.db2.gz YRNHBFJYHWAWBB-GIFXNVAJSA-N 2 2 421.589 4.096 20 0 HIADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc(C2CCCCC2)[nH+]1 ZINC001164810540 721572988 /nfs/dbraw/zinc/57/29/88/721572988.db2.gz YRNHBFJYHWAWBB-GIFXNVAJSA-N 2 2 421.589 4.096 20 0 HIADLP COc1ccc2c(cc[nH+]c2N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165023424 721839485 /nfs/dbraw/zinc/83/94/85/721839485.db2.gz WZWOMEJMHZCEJE-UHFFFAOYSA-N 2 2 421.541 4.361 20 0 HIADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@H](C)O1 ZINC000023626478 846731891 /nfs/dbraw/zinc/73/18/91/846731891.db2.gz HBWQIHCPGVOQCT-HDICACEKSA-N 2 2 415.965 4.181 20 0 HIADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@H](C)O1 ZINC000023626478 846731899 /nfs/dbraw/zinc/73/18/99/846731899.db2.gz HBWQIHCPGVOQCT-HDICACEKSA-N 2 2 415.965 4.181 20 0 HIADLP Brc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)c1 ZINC000026309203 847122943 /nfs/dbraw/zinc/12/29/43/847122943.db2.gz QKYWBIDXMHSZPZ-UHFFFAOYSA-N 2 2 422.330 4.288 20 0 HIADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229114 848306019 /nfs/dbraw/zinc/30/60/19/848306019.db2.gz PAYVBLSKPZLMES-AWEZNQCLSA-N 2 2 412.887 4.427 20 0 HIADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229114 848306025 /nfs/dbraw/zinc/30/60/25/848306025.db2.gz PAYVBLSKPZLMES-AWEZNQCLSA-N 2 2 412.887 4.427 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000057783189 850714343 /nfs/dbraw/zinc/71/43/43/850714343.db2.gz GCXJKQREULFHHF-HXUWFJFHSA-N 2 2 421.589 4.056 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000057783189 850714353 /nfs/dbraw/zinc/71/43/53/850714353.db2.gz GCXJKQREULFHHF-HXUWFJFHSA-N 2 2 421.589 4.056 20 0 HIADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000058616753 850869161 /nfs/dbraw/zinc/86/91/61/850869161.db2.gz UPMJVDQFHWLIKE-UHFFFAOYSA-N 2 2 414.550 4.092 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000062254606 851517461 /nfs/dbraw/zinc/51/74/61/851517461.db2.gz VRFKOHMHIQXIEM-IBGZPJMESA-N 2 2 401.514 4.170 20 0 HIADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1C ZINC000065388389 852120171 /nfs/dbraw/zinc/12/01/71/852120171.db2.gz RUPAUMAWLGLBCT-IBGZPJMESA-N 2 2 416.591 4.041 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000065889600 852305358 /nfs/dbraw/zinc/30/53/58/852305358.db2.gz YRAPQYQJVFDZCK-UHFFFAOYSA-N 2 2 417.553 4.207 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000065889600 852305363 /nfs/dbraw/zinc/30/53/63/852305363.db2.gz YRAPQYQJVFDZCK-UHFFFAOYSA-N 2 2 417.553 4.207 20 0 HIADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000110183173 853069955 /nfs/dbraw/zinc/06/99/55/853069955.db2.gz MHBWZOUDNLIMOG-MRXNPFEDSA-N 2 2 419.541 4.145 20 0 HIADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000110183173 853069964 /nfs/dbraw/zinc/06/99/64/853069964.db2.gz MHBWZOUDNLIMOG-MRXNPFEDSA-N 2 2 419.541 4.145 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1Br ZINC000130173175 853372781 /nfs/dbraw/zinc/37/27/81/853372781.db2.gz UVFHRLLVSBCTCF-IACUBPJLSA-N 2 2 402.174 4.489 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1Br ZINC000130173175 853372792 /nfs/dbraw/zinc/37/27/92/853372792.db2.gz UVFHRLLVSBCTCF-IACUBPJLSA-N 2 2 402.174 4.489 20 0 HIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)[C@@H](C)C1 ZINC000236862749 853929939 /nfs/dbraw/zinc/92/99/39/853929939.db2.gz ARJILFMZDQLFDK-KBXCAEBGSA-N 2 2 403.792 4.329 20 0 HIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)[C@@H](C)C1 ZINC000236862749 853929942 /nfs/dbraw/zinc/92/99/42/853929942.db2.gz ARJILFMZDQLFDK-KBXCAEBGSA-N 2 2 403.792 4.329 20 0 HIADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1OCc1c(C)noc1C ZINC000237268072 853994101 /nfs/dbraw/zinc/99/41/01/853994101.db2.gz YKDJXDYQFOSNFV-UHFFFAOYSA-N 2 2 418.497 4.355 20 0 HIADLP COc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1Br ZINC000237358303 854013795 /nfs/dbraw/zinc/01/37/95/854013795.db2.gz WVVHJSIKECFOLW-UHFFFAOYSA-N 2 2 418.379 4.282 20 0 HIADLP FC(F)Oc1ccc(Br)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000237797368 854098925 /nfs/dbraw/zinc/09/89/25/854098925.db2.gz MCMCLTSVNNZEIW-UHFFFAOYSA-N 2 2 412.278 4.204 20 0 HIADLP Cc1cc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)nc(-c2cccnc2)n1 ZINC000301375154 854375593 /nfs/dbraw/zinc/37/55/93/854375593.db2.gz RXHFPVHAVPZNPL-UHFFFAOYSA-N 2 2 402.546 4.369 20 0 HIADLP Cc1[nH+]c2ccc(Br)cc2c(NCC[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000301544887 854418212 /nfs/dbraw/zinc/41/82/12/854418212.db2.gz PAZCDLXJXNRZCV-UHFFFAOYSA-N 3 2 405.384 4.052 20 0 HIADLP COc1cccc2c(NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)cc(C)[nH+]c12 ZINC000301649730 854436849 /nfs/dbraw/zinc/43/68/49/854436849.db2.gz FOERTEMKINHOMW-UHFFFAOYSA-N 2 2 404.514 4.067 20 0 HIADLP CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC000303046303 854736826 /nfs/dbraw/zinc/73/68/26/854736826.db2.gz QUAGAQTYBCEPCQ-UHFFFAOYSA-N 2 2 401.514 4.421 20 0 HIADLP C[C@H](Oc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1)c1ccccc1 ZINC000409472747 855498338 /nfs/dbraw/zinc/49/83/38/855498338.db2.gz ZWPYZZOOSKTRAB-FQEVSTJZSA-N 2 2 421.585 4.115 20 0 HIADLP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427870327 856988378 /nfs/dbraw/zinc/98/83/78/856988378.db2.gz FDCFAXZCMGVBDH-KDOFPFPSSA-N 2 2 400.320 4.171 20 0 HIADLP C[C@]1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCC[N@@H+]1Cc1ccccc1 ZINC000427892046 856996093 /nfs/dbraw/zinc/99/60/93/856996093.db2.gz FPWUKNJGYIKBHL-DKEBNAFJSA-N 2 2 403.570 4.463 20 0 HIADLP C[C@]1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCC[N@H+]1Cc1ccccc1 ZINC000427892046 856996102 /nfs/dbraw/zinc/99/61/02/856996102.db2.gz FPWUKNJGYIKBHL-DKEBNAFJSA-N 2 2 403.570 4.463 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000428247344 857125439 /nfs/dbraw/zinc/12/54/39/857125439.db2.gz NGFJJCMOPKYBAE-IBGZPJMESA-N 2 2 406.496 4.258 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000428247344 857125442 /nfs/dbraw/zinc/12/54/42/857125442.db2.gz NGFJJCMOPKYBAE-IBGZPJMESA-N 2 2 406.496 4.258 20 0 HIADLP Cc1cccc(C(C)(C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000428327622 857155904 /nfs/dbraw/zinc/15/59/04/857155904.db2.gz UOKWRWZURMKDDW-UHFFFAOYSA-N 2 2 400.592 4.147 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000429236874 857567841 /nfs/dbraw/zinc/56/78/41/857567841.db2.gz MYEKXVHSOBOEEP-UHFFFAOYSA-N 2 2 411.575 4.228 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000429236874 857567854 /nfs/dbraw/zinc/56/78/54/857567854.db2.gz MYEKXVHSOBOEEP-UHFFFAOYSA-N 2 2 411.575 4.228 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000429246589 857571396 /nfs/dbraw/zinc/57/13/96/857571396.db2.gz GZHDHIOVFOLSIS-UHFFFAOYSA-N 2 2 424.368 4.232 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000429246589 857571406 /nfs/dbraw/zinc/57/14/06/857571406.db2.gz GZHDHIOVFOLSIS-UHFFFAOYSA-N 2 2 424.368 4.232 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429456072 857679899 /nfs/dbraw/zinc/67/98/99/857679899.db2.gz RVUVVWMYGBVQFY-PGRDOPGGSA-N 2 2 422.598 4.455 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429456072 857679901 /nfs/dbraw/zinc/67/99/01/857679901.db2.gz RVUVVWMYGBVQFY-PGRDOPGGSA-N 2 2 422.598 4.455 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000429472751 857687798 /nfs/dbraw/zinc/68/77/98/857687798.db2.gz WSCFETZFCIZUPV-UHFFFAOYSA-N 2 2 411.594 4.418 20 0 HIADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2)cc1 ZINC000429686674 857834429 /nfs/dbraw/zinc/83/44/29/857834429.db2.gz PFCRRBKPQUIGSF-QFIPXVFZSA-N 2 2 404.558 4.033 20 0 HIADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2)cc1 ZINC000429686674 857834434 /nfs/dbraw/zinc/83/44/34/857834434.db2.gz PFCRRBKPQUIGSF-QFIPXVFZSA-N 2 2 404.558 4.033 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429694482 857838091 /nfs/dbraw/zinc/83/80/91/857838091.db2.gz BSXIRAPMFCRLSB-HHHXNRCGSA-N 3 2 421.629 4.122 20 0 HIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429694482 857838096 /nfs/dbraw/zinc/83/80/96/857838096.db2.gz BSXIRAPMFCRLSB-HHHXNRCGSA-N 3 2 421.629 4.122 20 0 HIADLP C[NH+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429694482 857838098 /nfs/dbraw/zinc/83/80/98/857838098.db2.gz BSXIRAPMFCRLSB-HHHXNRCGSA-N 3 2 421.629 4.122 20 0 HIADLP C[NH+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429694482 857838105 /nfs/dbraw/zinc/83/81/05/857838105.db2.gz BSXIRAPMFCRLSB-HHHXNRCGSA-N 3 2 421.629 4.122 20 0 HIADLP Clc1ccc(OCC2CC2)c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000430014864 857997271 /nfs/dbraw/zinc/99/72/71/857997271.db2.gz ZRRSSNRCCFKDTJ-UHFFFAOYSA-N 2 2 400.950 4.251 20 0 HIADLP COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000430055613 858013898 /nfs/dbraw/zinc/01/38/98/858013898.db2.gz DOYJCFCAEDOOAJ-LJQANCHMSA-N 2 2 403.530 4.065 20 0 HIADLP COc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000430055613 858013906 /nfs/dbraw/zinc/01/39/06/858013906.db2.gz DOYJCFCAEDOOAJ-LJQANCHMSA-N 2 2 403.530 4.065 20 0 HIADLP CC(C)COc1ccccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430915230 858369318 /nfs/dbraw/zinc/36/93/18/858369318.db2.gz BYRLTPXAEUVACR-UHFFFAOYSA-N 3 2 401.639 4.350 20 0 HIADLP CC(C)COc1ccccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430915230 858369324 /nfs/dbraw/zinc/36/93/24/858369324.db2.gz BYRLTPXAEUVACR-UHFFFAOYSA-N 3 2 401.639 4.350 20 0 HIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000433371906 859661780 /nfs/dbraw/zinc/66/17/80/859661780.db2.gz CIYQFWYAOVJMSG-RXVVDRJESA-N 2 2 413.537 4.488 20 0 HIADLP CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000434396420 860332242 /nfs/dbraw/zinc/33/22/42/860332242.db2.gz BPEUYCZUUQSUGX-QFIPXVFZSA-N 2 2 418.601 4.115 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686515 860460633 /nfs/dbraw/zinc/46/06/33/860460633.db2.gz UKJSMAOSFSBXSA-AWEZNQCLSA-N 2 2 404.917 4.219 20 0 HIADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687774 860461690 /nfs/dbraw/zinc/46/16/90/860461690.db2.gz FYEKPLJXPQZHMJ-INIZCTEOSA-N 2 2 400.954 4.388 20 0 HIADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687854 860461788 /nfs/dbraw/zinc/46/17/88/860461788.db2.gz ZREKROWQPZSDNI-SFHVURJKSA-N 2 2 420.557 4.365 20 0 HIADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000434990142 860588136 /nfs/dbraw/zinc/58/81/36/860588136.db2.gz FRXXIAFCBIVQDY-UHFFFAOYSA-N 2 2 409.393 4.066 20 0 HIADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3cccc(Br)c3)s2)CC1 ZINC000434990142 860588142 /nfs/dbraw/zinc/58/81/42/860588142.db2.gz FRXXIAFCBIVQDY-UHFFFAOYSA-N 2 2 409.393 4.066 20 0 HIADLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000435785809 861059623 /nfs/dbraw/zinc/05/96/23/861059623.db2.gz PYIRZWFMLNYKII-RUZDIDTESA-N 2 2 416.569 4.230 20 0 HIADLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000435785809 861059643 /nfs/dbraw/zinc/05/96/43/861059643.db2.gz PYIRZWFMLNYKII-RUZDIDTESA-N 2 2 416.569 4.230 20 0 HIADLP C[NH+](C)CCOc1cccc(-c2noc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000438222484 863655221 /nfs/dbraw/zinc/65/52/21/863655221.db2.gz AUVMJHFTIXRNOA-OAQYLSRUSA-N 2 2 410.493 4.153 20 0 HIADLP C[NH+](C)CCOc1cccc(-c2noc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)c1 ZINC000438222484 863655231 /nfs/dbraw/zinc/65/52/31/863655231.db2.gz AUVMJHFTIXRNOA-OAQYLSRUSA-N 2 2 410.493 4.153 20 0 HIADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)c2C1 ZINC000438363848 863826954 /nfs/dbraw/zinc/82/69/54/863826954.db2.gz IDJOMYIXTITALM-HSZRJFAPSA-N 2 2 409.599 4.387 20 0 HIADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)c2C1 ZINC000438363848 863826962 /nfs/dbraw/zinc/82/69/62/863826962.db2.gz IDJOMYIXTITALM-HSZRJFAPSA-N 2 2 409.599 4.387 20 0 HIADLP C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439049642 864502402 /nfs/dbraw/zinc/50/24/02/864502402.db2.gz WLTCALCCFBZEAS-UHFFFAOYSA-N 2 2 407.518 4.075 20 0 HIADLP Cc1cccc(C(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2cccc(C)c2)c1 ZINC000439652162 864977999 /nfs/dbraw/zinc/97/79/99/864977999.db2.gz VJXLGTVDHXJCRW-UHFFFAOYSA-N 2 2 422.617 4.060 20 0 HIADLP Cc1cccc(C(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2cccc(C)c2)c1 ZINC000439652162 864978006 /nfs/dbraw/zinc/97/80/06/864978006.db2.gz VJXLGTVDHXJCRW-UHFFFAOYSA-N 2 2 422.617 4.060 20 0 HIADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC000440047615 865326451 /nfs/dbraw/zinc/32/64/51/865326451.db2.gz BQYAQFQGSQCBRP-DEOSSOPVSA-N 2 2 410.602 4.215 20 0 HIADLP CC(C)C[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[NH2+][C@H](C)c1ccccc1 ZINC000468030957 881863675 /nfs/dbraw/zinc/86/36/75/881863675.db2.gz STIXLJHDVQGEIM-OFNKIYASSA-N 2 2 423.605 4.247 20 0 HIADLP Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000440755122 865891873 /nfs/dbraw/zinc/89/18/73/865891873.db2.gz CMJLNQISLQUNNK-RBZQAINGSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000440755122 865891878 /nfs/dbraw/zinc/89/18/78/865891878.db2.gz CMJLNQISLQUNNK-RBZQAINGSA-N 2 2 405.542 4.065 20 0 HIADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441377630 866446913 /nfs/dbraw/zinc/44/69/13/866446913.db2.gz MCCQDVBWDZJWJB-JPYJTQIMSA-N 2 2 404.514 4.061 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCc2ccccc2Cl)c(C)c1 ZINC000441379427 866450299 /nfs/dbraw/zinc/45/02/99/866450299.db2.gz GKLXOOHDNHNMAQ-AVRDEDQJSA-N 2 2 410.949 4.189 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441382413 866454144 /nfs/dbraw/zinc/45/41/44/866454144.db2.gz UDPJDRQHUFOJKO-UGKGYDQZSA-N 2 2 406.530 4.175 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2C)c(C)c1 ZINC000441385273 866457957 /nfs/dbraw/zinc/45/79/57/866457957.db2.gz NHYIMFRIFKRLJQ-URXFXBBRSA-N 2 2 404.558 4.186 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000441390647 866462898 /nfs/dbraw/zinc/46/28/98/866462898.db2.gz YAOBHMIVGXAPND-GXEIUILISA-N 2 2 420.601 4.304 20 0 HIADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394608 866467879 /nfs/dbraw/zinc/46/78/79/866467879.db2.gz LLWAYVGYRXNPMM-DKICVRJWSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394608 866467888 /nfs/dbraw/zinc/46/78/88/866467888.db2.gz LLWAYVGYRXNPMM-DKICVRJWSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394608 866467892 /nfs/dbraw/zinc/46/78/92/866467892.db2.gz LLWAYVGYRXNPMM-DKICVRJWSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394608 866467899 /nfs/dbraw/zinc/46/78/99/866467899.db2.gz LLWAYVGYRXNPMM-DKICVRJWSA-N 2 2 410.389 4.119 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441398666 866474155 /nfs/dbraw/zinc/47/41/55/866474155.db2.gz WFGWUTBDIDJEFB-FDDCHVKYSA-N 2 2 407.558 4.169 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441398666 866474160 /nfs/dbraw/zinc/47/41/60/866474160.db2.gz WFGWUTBDIDJEFB-FDDCHVKYSA-N 2 2 407.558 4.169 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441398666 866474161 /nfs/dbraw/zinc/47/41/61/866474161.db2.gz WFGWUTBDIDJEFB-FDDCHVKYSA-N 2 2 407.558 4.169 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441398666 866474166 /nfs/dbraw/zinc/47/41/66/866474166.db2.gz WFGWUTBDIDJEFB-FDDCHVKYSA-N 2 2 407.558 4.169 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccco1 ZINC000441522854 866598980 /nfs/dbraw/zinc/59/89/80/866598980.db2.gz RYAFJXSVNBNWGR-FCHUYYIVSA-N 2 2 423.561 4.217 20 0 HIADLP CC[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616141 866716085 /nfs/dbraw/zinc/71/60/85/866716085.db2.gz AXVWUCVUKRZXNT-XMMPIXPASA-N 2 2 420.601 4.204 20 0 HIADLP CC[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441616141 866716090 /nfs/dbraw/zinc/71/60/90/866716090.db2.gz AXVWUCVUKRZXNT-XMMPIXPASA-N 2 2 420.601 4.204 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000468251565 882159005 /nfs/dbraw/zinc/15/90/05/882159005.db2.gz PINIOLYZSWGJBA-UHFFFAOYSA-N 2 2 422.495 4.150 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000468251565 882159008 /nfs/dbraw/zinc/15/90/08/882159008.db2.gz PINIOLYZSWGJBA-UHFFFAOYSA-N 2 2 422.495 4.150 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444216265 868670204 /nfs/dbraw/zinc/67/02/04/868670204.db2.gz UKINJFIUQMFHAG-FGZHOGPDSA-N 2 2 405.586 4.089 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444216265 868670218 /nfs/dbraw/zinc/67/02/18/868670218.db2.gz UKINJFIUQMFHAG-FGZHOGPDSA-N 2 2 405.586 4.089 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000444341703 868770169 /nfs/dbraw/zinc/77/01/69/868770169.db2.gz KDDBCOKVWMJJEJ-AVRDEDQJSA-N 2 2 421.545 4.361 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Br)cc1F ZINC000446757396 870670064 /nfs/dbraw/zinc/67/00/64/870670064.db2.gz AYTSPAQOCBRKKH-HNNXBMFYSA-N 2 2 407.327 4.271 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000447566426 871461080 /nfs/dbraw/zinc/46/10/80/871461080.db2.gz SXCBXBQFGKWWGZ-CQSZACIVSA-N 2 2 423.460 4.145 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000460485487 873171011 /nfs/dbraw/zinc/17/10/11/873171011.db2.gz BCLIJCIDVZJPOL-BJKOFHAPSA-N 2 2 405.586 4.010 20 0 HIADLP Cc1ccc(-c2ccc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c(F)c2)cc1 ZINC000460506050 873193585 /nfs/dbraw/zinc/19/35/85/873193585.db2.gz ZIOFJBWOQXKFHK-UHFFFAOYSA-N 2 2 423.576 4.481 20 0 HIADLP CC1CC[NH+]([C@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)c2cccs2)CC1 ZINC000468788781 882860414 /nfs/dbraw/zinc/86/04/14/882860414.db2.gz CAUXPYDPGXDSAL-JOCHJYFZSA-N 2 2 422.598 4.125 20 0 HIADLP Cc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000462919738 875947627 /nfs/dbraw/zinc/94/76/27/875947627.db2.gz SBCKBJVRXBOGFY-GOSISDBHSA-N 2 2 410.484 4.126 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)c2)CCO1 ZINC000463080979 876112845 /nfs/dbraw/zinc/11/28/45/876112845.db2.gz HFPYIMOXPUJOEL-VVZHRXSXSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)c2)CCO1 ZINC000463080979 876112848 /nfs/dbraw/zinc/11/28/48/876112848.db2.gz HFPYIMOXPUJOEL-VVZHRXSXSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)c2)CCO1 ZINC000463080979 876112855 /nfs/dbraw/zinc/11/28/55/876112855.db2.gz HFPYIMOXPUJOEL-VVZHRXSXSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)c2)CCO1 ZINC000463080979 876112863 /nfs/dbraw/zinc/11/28/63/876112863.db2.gz HFPYIMOXPUJOEL-VVZHRXSXSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)c2)CCO1 ZINC000463080979 876112871 /nfs/dbraw/zinc/11/28/71/876112871.db2.gz HFPYIMOXPUJOEL-VVZHRXSXSA-N 2 2 407.602 4.050 20 0 HIADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)c2)CCO1 ZINC000463080979 876112881 /nfs/dbraw/zinc/11/28/81/876112881.db2.gz HFPYIMOXPUJOEL-VVZHRXSXSA-N 2 2 407.602 4.050 20 0 HIADLP CN(C)[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1c(F)cccc1F ZINC000463126185 876169421 /nfs/dbraw/zinc/16/94/21/876169421.db2.gz YYRWJCMZCRWVTN-JOCHJYFZSA-N 2 2 405.508 4.003 20 0 HIADLP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000463190578 876249914 /nfs/dbraw/zinc/24/99/14/876249914.db2.gz FPBFOZJSIFFMIF-QHCPKHFHSA-N 2 2 405.590 4.364 20 0 HIADLP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000463190578 876249931 /nfs/dbraw/zinc/24/99/31/876249931.db2.gz FPBFOZJSIFFMIF-QHCPKHFHSA-N 2 2 405.590 4.364 20 0 HIADLP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000463190578 876249940 /nfs/dbraw/zinc/24/99/40/876249940.db2.gz FPBFOZJSIFFMIF-QHCPKHFHSA-N 2 2 405.590 4.364 20 0 HIADLP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000463190578 876249952 /nfs/dbraw/zinc/24/99/52/876249952.db2.gz FPBFOZJSIFFMIF-QHCPKHFHSA-N 2 2 405.590 4.364 20 0 HIADLP Brc1ccc2nc(C[N@@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)oc2c1 ZINC000463196040 876256953 /nfs/dbraw/zinc/25/69/53/876256953.db2.gz IBOWHUFIHDDPRH-CQSZACIVSA-N 2 2 401.308 4.113 20 0 HIADLP Brc1ccc2nc(C[N@H+]3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)oc2c1 ZINC000463196040 876256961 /nfs/dbraw/zinc/25/69/61/876256961.db2.gz IBOWHUFIHDDPRH-CQSZACIVSA-N 2 2 401.308 4.113 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463238028 876293414 /nfs/dbraw/zinc/29/34/14/876293414.db2.gz NDLQFDPXDBPBDG-LDIWMBKBSA-N 2 2 409.540 4.434 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463238028 876293430 /nfs/dbraw/zinc/29/34/30/876293430.db2.gz NDLQFDPXDBPBDG-LDIWMBKBSA-N 2 2 409.540 4.434 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Br)cn1 ZINC000463244634 876301528 /nfs/dbraw/zinc/30/15/28/876301528.db2.gz IPQKAFJNWCUFNG-OAHLLOKOSA-N 2 2 406.343 4.341 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000463710409 876829111 /nfs/dbraw/zinc/82/91/11/876829111.db2.gz ZALIXHXAAUISMJ-CVDCTZTESA-N 2 2 419.573 4.367 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000463710409 876829117 /nfs/dbraw/zinc/82/91/17/876829117.db2.gz ZALIXHXAAUISMJ-CVDCTZTESA-N 2 2 419.573 4.367 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)c2C)cc1 ZINC000463748664 876871203 /nfs/dbraw/zinc/87/12/03/876871203.db2.gz YFSWXIUVKPJMRZ-UHFFFAOYSA-N 2 2 419.504 4.171 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2C)cc1 ZINC000463748358 876871621 /nfs/dbraw/zinc/87/16/21/876871621.db2.gz RZBJHSOEZWFAJD-UHFFFAOYSA-N 2 2 418.585 4.311 20 0 HIADLP CC[N@@H+](Cc1cccc(C(=O)NCC(C)C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806372 878052421 /nfs/dbraw/zinc/05/24/21/878052421.db2.gz QFNPCARCNYZUOJ-UHFFFAOYSA-N 2 2 408.590 4.206 20 0 HIADLP CC[N@H+](Cc1cccc(C(=O)NCC(C)C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806372 878052441 /nfs/dbraw/zinc/05/24/41/878052441.db2.gz QFNPCARCNYZUOJ-UHFFFAOYSA-N 2 2 408.590 4.206 20 0 HIADLP CC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807168 878055052 /nfs/dbraw/zinc/05/50/52/878055052.db2.gz SLRLGKJVQWSQQK-UHFFFAOYSA-N 2 2 406.530 4.484 20 0 HIADLP CC[N@H+](Cc1coc(-c2ccc(OC)cc2)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807168 878055071 /nfs/dbraw/zinc/05/50/71/878055071.db2.gz SLRLGKJVQWSQQK-UHFFFAOYSA-N 2 2 406.530 4.484 20 0 HIADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837465 878100897 /nfs/dbraw/zinc/10/08/97/878100897.db2.gz LTRGMYGTXXKWRE-IFMALSPDSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837465 878100902 /nfs/dbraw/zinc/10/09/02/878100902.db2.gz LTRGMYGTXXKWRE-IFMALSPDSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464837465 878100904 /nfs/dbraw/zinc/10/09/04/878100904.db2.gz LTRGMYGTXXKWRE-IFMALSPDSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464837465 878100907 /nfs/dbraw/zinc/10/09/07/878100907.db2.gz LTRGMYGTXXKWRE-IFMALSPDSA-N 2 2 419.569 4.406 20 0 HIADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503375220 912356517 /nfs/dbraw/zinc/35/65/17/912356517.db2.gz KLERLACVVFZCBL-RRPUWOKSSA-N 2 2 408.590 4.445 20 0 HIADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503375220 912356538 /nfs/dbraw/zinc/35/65/38/912356538.db2.gz KLERLACVVFZCBL-RRPUWOKSSA-N 2 2 408.590 4.445 20 0 HIADLP Brc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503378367 912362009 /nfs/dbraw/zinc/36/20/09/912362009.db2.gz PZBVCFVOVRCYHU-MRXNPFEDSA-N 2 2 404.352 4.240 20 0 HIADLP Brc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503378367 912362028 /nfs/dbraw/zinc/36/20/28/912362028.db2.gz PZBVCFVOVRCYHU-MRXNPFEDSA-N 2 2 404.352 4.240 20 0 HIADLP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)c1 ZINC000503390837 912373114 /nfs/dbraw/zinc/37/31/14/912373114.db2.gz KCCZSTQMIPWLDP-QGZVFWFLSA-N 2 2 411.937 4.345 20 0 HIADLP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)c1 ZINC000503390837 912373135 /nfs/dbraw/zinc/37/31/35/912373135.db2.gz KCCZSTQMIPWLDP-QGZVFWFLSA-N 2 2 411.937 4.345 20 0 HIADLP Cc1sc2nc([C@@H](C)[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)nc(N)c2c1C ZINC000503389901 912373855 /nfs/dbraw/zinc/37/38/55/912373855.db2.gz INDLNPNYBIJIEB-GDBMZVCRSA-N 2 2 410.591 4.364 20 0 HIADLP Cc1sc2nc([C@@H](C)[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)nc(N)c2c1C ZINC000503389901 912373866 /nfs/dbraw/zinc/37/38/66/912373866.db2.gz INDLNPNYBIJIEB-GDBMZVCRSA-N 2 2 410.591 4.364 20 0 HIADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402619 912382969 /nfs/dbraw/zinc/38/29/69/912382969.db2.gz BOLFEUFWIBPKMJ-MAUKXSAKSA-N 2 2 424.372 4.146 20 0 HIADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402619 912382991 /nfs/dbraw/zinc/38/29/91/912382991.db2.gz BOLFEUFWIBPKMJ-MAUKXSAKSA-N 2 2 424.372 4.146 20 0 HIADLP Fc1ccc(-n2nc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c3c2CCC3)cc1 ZINC000503406050 912385340 /nfs/dbraw/zinc/38/53/40/912385340.db2.gz ALTKDYOWJNGZRC-GOSISDBHSA-N 2 2 419.548 4.413 20 0 HIADLP Fc1ccc(-n2nc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c3c2CCC3)cc1 ZINC000503406050 912385359 /nfs/dbraw/zinc/38/53/59/912385359.db2.gz ALTKDYOWJNGZRC-GOSISDBHSA-N 2 2 419.548 4.413 20 0 HIADLP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411160 912392325 /nfs/dbraw/zinc/39/23/25/912392325.db2.gz ZLCZSEDXWXZKNT-FXAWDEMLSA-N 2 2 407.480 4.021 20 0 HIADLP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411160 912392336 /nfs/dbraw/zinc/39/23/36/912392336.db2.gz ZLCZSEDXWXZKNT-FXAWDEMLSA-N 2 2 407.480 4.021 20 0 HIADLP CC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000465524281 878976316 /nfs/dbraw/zinc/97/63/16/878976316.db2.gz JPAWWLXYOCQLQS-FQEVSTJZSA-N 2 2 407.002 4.041 20 0 HIADLP CCCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC000466135793 879846694 /nfs/dbraw/zinc/84/66/94/879846694.db2.gz CMRXBQPORQFXQA-HSZRJFAPSA-N 2 2 412.622 4.046 20 0 HIADLP Cc1cccc([C@@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C ZINC000466138151 879848689 /nfs/dbraw/zinc/84/86/89/879848689.db2.gz IFRVGSLNMRDFNL-QHCPKHFHSA-N 2 2 412.622 4.100 20 0 HIADLP CC(C)Oc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000466146486 879855108 /nfs/dbraw/zinc/85/51/08/879855108.db2.gz VWLYTRKJNCTGNQ-UHFFFAOYSA-N 2 2 423.001 4.199 20 0 HIADLP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000466731611 880516760 /nfs/dbraw/zinc/51/67/60/880516760.db2.gz QAZIRLIFBLVQNR-UHFFFAOYSA-N 2 2 403.792 4.425 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000467149675 880887685 /nfs/dbraw/zinc/88/76/85/880887685.db2.gz PZEVSXDERNGMMZ-JOCHJYFZSA-N 2 2 408.933 4.148 20 0 HIADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000467168756 880897828 /nfs/dbraw/zinc/89/78/28/880897828.db2.gz AXNLCCZRWPBIHD-OAHLLOKOSA-N 2 2 416.393 4.143 20 0 HIADLP Cc1cn2cc(NC(=O)NC[C@H](c3cccc(C(F)(F)F)c3)[NH+](C)C)ccc2[nH+]1 ZINC000469668844 883860367 /nfs/dbraw/zinc/86/03/67/883860367.db2.gz ZQBIZTGDPSLPCW-QGZVFWFLSA-N 2 2 405.424 4.086 20 0 HIADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000469751568 883912325 /nfs/dbraw/zinc/91/23/25/883912325.db2.gz IXLNVPLIAXINOR-RDPSFJRHSA-N 2 2 423.605 4.440 20 0 HIADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000469751568 883912335 /nfs/dbraw/zinc/91/23/35/883912335.db2.gz IXLNVPLIAXINOR-RDPSFJRHSA-N 2 2 423.605 4.440 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[C@@H](C)C1 ZINC000469787528 883961741 /nfs/dbraw/zinc/96/17/41/883961741.db2.gz UPHGNOKJFAEJRZ-NSHGMRRFSA-N 2 2 410.002 4.010 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[C@@H](C)C1 ZINC000469787528 883961759 /nfs/dbraw/zinc/96/17/59/883961759.db2.gz UPHGNOKJFAEJRZ-NSHGMRRFSA-N 2 2 410.002 4.010 20 0 HIADLP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000471168115 885724296 /nfs/dbraw/zinc/72/42/96/885724296.db2.gz FIXGXFJMRNGRIC-HXUWFJFHSA-N 2 2 420.557 4.165 20 0 HIADLP Cn1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(-c2ccccc2Cl)n1 ZINC000512375543 921114415 /nfs/dbraw/zinc/11/44/15/921114415.db2.gz UJMBJSAMPOAWGC-UHFFFAOYSA-N 2 2 423.992 4.274 20 0 HIADLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(-c2ccccc2Cl)n1 ZINC000512375543 921114421 /nfs/dbraw/zinc/11/44/21/921114421.db2.gz UJMBJSAMPOAWGC-UHFFFAOYSA-N 2 2 423.992 4.274 20 0 HIADLP c1csc([C@H]2C[N@H+](CCCCC[NH+]3CCO[C@H](c4cccs4)C3)CCO2)c1 ZINC000472826050 887672129 /nfs/dbraw/zinc/67/21/29/887672129.db2.gz GCYOHLSJTDEIFB-KDURUIRLSA-N 2 2 406.617 4.427 20 0 HIADLP c1csc([C@H]2C[N@@H+](CCCCC[NH+]3CCO[C@H](c4cccs4)C3)CCO2)c1 ZINC000472826050 887672143 /nfs/dbraw/zinc/67/21/43/887672143.db2.gz GCYOHLSJTDEIFB-KDURUIRLSA-N 2 2 406.617 4.427 20 0 HIADLP c1csc([C@H]2C[NH+](CCCCC[N@@H+]3CCO[C@H](c4cccs4)C3)CCO2)c1 ZINC000472826050 887672153 /nfs/dbraw/zinc/67/21/53/887672153.db2.gz GCYOHLSJTDEIFB-KDURUIRLSA-N 2 2 406.617 4.427 20 0 HIADLP c1csc([C@H]2C[NH+](CCCCC[N@H+]3CCO[C@H](c4cccs4)C3)CCO2)c1 ZINC000472826050 887672163 /nfs/dbraw/zinc/67/21/63/887672163.db2.gz GCYOHLSJTDEIFB-KDURUIRLSA-N 2 2 406.617 4.427 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000473433133 888154517 /nfs/dbraw/zinc/15/45/17/888154517.db2.gz HPXAVZYWQMIBOI-UHFFFAOYSA-N 2 2 423.479 4.063 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000473433133 888154526 /nfs/dbraw/zinc/15/45/26/888154526.db2.gz HPXAVZYWQMIBOI-UHFFFAOYSA-N 2 2 423.479 4.063 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C2 ZINC000474896434 889755693 /nfs/dbraw/zinc/75/56/93/889755693.db2.gz QJJWFRFWNUJGAP-RBUKOAKNSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C2 ZINC000474896434 889755704 /nfs/dbraw/zinc/75/57/04/889755704.db2.gz QJJWFRFWNUJGAP-RBUKOAKNSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000474896434 889755714 /nfs/dbraw/zinc/75/57/14/889755714.db2.gz QJJWFRFWNUJGAP-RBUKOAKNSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)CC2 ZINC000474896434 889755724 /nfs/dbraw/zinc/75/57/24/889755724.db2.gz QJJWFRFWNUJGAP-RBUKOAKNSA-N 2 2 408.590 4.329 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000475318208 890235320 /nfs/dbraw/zinc/23/53/20/890235320.db2.gz PEMJHGOIUXPGDY-MSOLQXFVSA-N 2 2 421.029 4.032 20 0 HIADLP Fc1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1Br ZINC000475341317 890264894 /nfs/dbraw/zinc/26/48/94/890264894.db2.gz FPJFZYDRJALICP-UHFFFAOYSA-N 2 2 409.265 4.483 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@]3(C1)CCC[N@H+](Cc1ccccc1)C3)C2 ZINC000476241024 891165193 /nfs/dbraw/zinc/16/51/93/891165193.db2.gz XAYFGFJEGOEVKD-QFQXNSOFSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)C2 ZINC000476241024 891165197 /nfs/dbraw/zinc/16/51/97/891165197.db2.gz XAYFGFJEGOEVKD-QFQXNSOFSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@]3(C1)CCC[N@H+](Cc1ccccc1)C3)CC2 ZINC000476241024 891165205 /nfs/dbraw/zinc/16/52/05/891165205.db2.gz XAYFGFJEGOEVKD-QFQXNSOFSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)CC2 ZINC000476241024 891165211 /nfs/dbraw/zinc/16/52/11/891165211.db2.gz XAYFGFJEGOEVKD-QFQXNSOFSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@@H]3C)CC1)C2 ZINC000476310251 891219516 /nfs/dbraw/zinc/21/95/16/891219516.db2.gz CLXPPXWWGMGWOS-AZUAARDMSA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)C2 ZINC000476310251 891219529 /nfs/dbraw/zinc/21/95/29/891219529.db2.gz CLXPPXWWGMGWOS-AZUAARDMSA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@@H]3C)CC1)CC2 ZINC000476310251 891219542 /nfs/dbraw/zinc/21/95/42/891219542.db2.gz CLXPPXWWGMGWOS-AZUAARDMSA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)CC2 ZINC000476310251 891219554 /nfs/dbraw/zinc/21/95/54/891219554.db2.gz CLXPPXWWGMGWOS-AZUAARDMSA-N 2 2 400.611 4.141 20 0 HIADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476984692 891909808 /nfs/dbraw/zinc/90/98/08/891909808.db2.gz YOBQVFXYBBFNJH-RDTXWAMCSA-N 2 2 409.958 4.025 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2cccc3ccccc32)n1 ZINC000477716749 892824407 /nfs/dbraw/zinc/82/44/07/892824407.db2.gz ZLMSZINAJSMGOS-UHFFFAOYSA-N 2 2 422.598 4.061 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2cccc3ccccc32)n1 ZINC000477716749 892824408 /nfs/dbraw/zinc/82/44/08/892824408.db2.gz ZLMSZINAJSMGOS-UHFFFAOYSA-N 2 2 422.598 4.061 20 0 HIADLP C[NH+](C)Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1Cl ZINC000478045816 893187435 /nfs/dbraw/zinc/18/74/35/893187435.db2.gz KWCNNKMURRRWBP-UHFFFAOYSA-N 2 2 405.836 4.172 20 0 HIADLP Brc1cc(Br)c2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000479359636 894657879 /nfs/dbraw/zinc/65/78/79/894657879.db2.gz NOUJNHWNDSAEHM-INIZCTEOSA-N 2 2 413.157 4.465 20 0 HIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H](Cc3ccccn3)c3cccnc3)C2)CC1 ZINC000479494534 894814666 /nfs/dbraw/zinc/81/46/66/894814666.db2.gz CDOGLFWTIWFZHL-CBNMVNINSA-N 2 2 404.480 4.155 20 0 HIADLP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000479880045 895223316 /nfs/dbraw/zinc/22/33/16/895223316.db2.gz CJQFVMUTLAZRIY-MRXNPFEDSA-N 2 2 404.938 4.040 20 0 HIADLP Brc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCC2 ZINC000480072102 895422743 /nfs/dbraw/zinc/42/27/43/895422743.db2.gz RDHAFKRQZVWFIW-HNNXBMFYSA-N 2 2 403.349 4.436 20 0 HIADLP COc1cc2c(cc1F)[nH+]ccc2N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000480075538 895428585 /nfs/dbraw/zinc/42/85/85/895428585.db2.gz SWWKJOGVHDDOKI-UHFFFAOYSA-N 3 2 414.569 4.015 20 0 HIADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC3CCCCCC3)c2)CC1 ZINC000480158332 895544944 /nfs/dbraw/zinc/54/49/44/895544944.db2.gz ITSGRCRFNKECPF-IBGZPJMESA-N 2 2 421.651 4.213 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000480239171 895649379 /nfs/dbraw/zinc/64/93/79/895649379.db2.gz GRDPNBBSFLPEKH-IBGZPJMESA-N 2 2 421.614 4.376 20 0 HIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000480525755 895888798 /nfs/dbraw/zinc/88/87/98/895888798.db2.gz JYBTXUPAJDVNSG-FQEVSTJZSA-N 2 2 415.541 4.137 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(Br)s3)cc2)CC1 ZINC000480743186 896105780 /nfs/dbraw/zinc/10/57/80/896105780.db2.gz YSRAHRVWHHYPDL-INIZCTEOSA-N 2 2 422.436 4.499 20 0 HIADLP COCCC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000480760287 896121736 /nfs/dbraw/zinc/12/17/36/896121736.db2.gz QSVFEHBABNTSJO-IBGZPJMESA-N 2 2 406.368 4.282 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1OC(F)(F)F ZINC000480894444 896250269 /nfs/dbraw/zinc/25/02/69/896250269.db2.gz DULWMSRNSBRMJG-KRWDZBQOSA-N 2 2 407.480 4.183 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cc(Br)ccc1F ZINC000480914005 896271978 /nfs/dbraw/zinc/27/19/78/896271978.db2.gz UCYLKJQNHAFHAD-MRXNPFEDSA-N 2 2 420.370 4.186 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc(Br)ccc1F ZINC000480914005 896271994 /nfs/dbraw/zinc/27/19/94/896271994.db2.gz UCYLKJQNHAFHAD-MRXNPFEDSA-N 2 2 420.370 4.186 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)cc1OC(F)F ZINC000480921984 896280449 /nfs/dbraw/zinc/28/04/49/896280449.db2.gz UUZGAGSOBXFGBG-INIZCTEOSA-N 2 2 407.480 4.025 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(F)cc1OC(F)F ZINC000480921984 896280455 /nfs/dbraw/zinc/28/04/55/896280455.db2.gz UUZGAGSOBXFGBG-INIZCTEOSA-N 2 2 407.480 4.025 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000481176222 896512354 /nfs/dbraw/zinc/51/23/54/896512354.db2.gz XLYFWVVJIKCXHJ-KIZRIRGWSA-N 2 2 411.615 4.300 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000481176222 896512365 /nfs/dbraw/zinc/51/23/65/896512365.db2.gz XLYFWVVJIKCXHJ-KIZRIRGWSA-N 2 2 411.615 4.300 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000481180656 896520918 /nfs/dbraw/zinc/52/09/18/896520918.db2.gz XJTZWBUAXNQTRH-OFVILXPXSA-N 2 2 417.553 4.313 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000481180656 896520942 /nfs/dbraw/zinc/52/09/42/896520942.db2.gz XJTZWBUAXNQTRH-OFVILXPXSA-N 2 2 417.553 4.313 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cc(Cl)ccc1F ZINC000481181783 896523877 /nfs/dbraw/zinc/52/38/77/896523877.db2.gz NSHACIWFUWWYOA-GQIGUUNPSA-N 2 2 403.929 4.306 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cc(Cl)ccc1F ZINC000481181783 896523892 /nfs/dbraw/zinc/52/38/92/896523892.db2.gz NSHACIWFUWWYOA-GQIGUUNPSA-N 2 2 403.929 4.306 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000481186580 896532972 /nfs/dbraw/zinc/53/29/72/896532972.db2.gz DQDUMTHWYHTGFK-SFHVURJKSA-N 2 2 420.500 4.158 20 0 HIADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ccsc2S1 ZINC000481188643 896536155 /nfs/dbraw/zinc/53/61/55/896536155.db2.gz JGTBBDSNXBEBIG-LPHOPBHVSA-N 2 2 404.601 4.174 20 0 HIADLP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)ccn2)cc1 ZINC000481298108 896641424 /nfs/dbraw/zinc/64/14/24/896641424.db2.gz GMGBVCQUSUVRAS-CYFREDJKSA-N 2 2 418.541 4.278 20 0 HIADLP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)ccn2)cc1 ZINC000481298108 896641436 /nfs/dbraw/zinc/64/14/36/896641436.db2.gz GMGBVCQUSUVRAS-CYFREDJKSA-N 2 2 418.541 4.278 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481306900 896652812 /nfs/dbraw/zinc/65/28/12/896652812.db2.gz BXFQYQIBBMTREV-QGZVFWFLSA-N 2 2 408.571 4.197 20 0 HIADLP Brc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481322091 896675287 /nfs/dbraw/zinc/67/52/87/896675287.db2.gz QIUJSPFBSHPZFE-OAQYLSRUSA-N 2 2 401.348 4.058 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1OC(F)(F)F ZINC000481414062 896818462 /nfs/dbraw/zinc/81/84/62/896818462.db2.gz LOVBOSLOXQPWLM-KRWDZBQOSA-N 2 2 424.463 4.147 20 0 HIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000481416885 896820386 /nfs/dbraw/zinc/82/03/86/896820386.db2.gz VDVWJTZTCUEUIP-DNVCBOLYSA-N 2 2 408.384 4.020 20 0 HIADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)CC1 ZINC000481423941 896826765 /nfs/dbraw/zinc/82/67/65/896826765.db2.gz XCMFROKFTBQOKL-CQSZACIVSA-N 2 2 411.377 4.249 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(I)cc1 ZINC000481547732 896912596 /nfs/dbraw/zinc/91/25/96/896912596.db2.gz TYNDELRMEKKZIJ-ZDUSSCGKSA-N 2 2 421.257 4.467 20 0 HIADLP C[C@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481548018 896913267 /nfs/dbraw/zinc/91/32/67/896913267.db2.gz PAZLUFHFSDUSMG-YOEHRIQHSA-N 2 2 406.313 4.270 20 0 HIADLP COc1ccc(-c2ccncc2)cc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000481996325 897391503 /nfs/dbraw/zinc/39/15/03/897391503.db2.gz CCHSZRZZCICKQI-UHFFFAOYSA-N 2 2 416.569 4.291 20 0 HIADLP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000481996325 897391520 /nfs/dbraw/zinc/39/15/20/897391520.db2.gz CCHSZRZZCICKQI-UHFFFAOYSA-N 2 2 416.569 4.291 20 0 HIADLP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000482097875 897544316 /nfs/dbraw/zinc/54/43/16/897544316.db2.gz KCTNPPXZKBRQPR-VIZSFHNOSA-N 2 2 413.009 4.370 20 0 HIADLP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000482097875 897544327 /nfs/dbraw/zinc/54/43/27/897544327.db2.gz KCTNPPXZKBRQPR-VIZSFHNOSA-N 2 2 413.009 4.370 20 0 HIADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC000505519004 914209589 /nfs/dbraw/zinc/20/95/89/914209589.db2.gz HWNVRKRSLZIBEA-NRFANRHFSA-N 2 2 421.585 4.200 20 0 HIADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC000505519005 914210703 /nfs/dbraw/zinc/21/07/03/914210703.db2.gz HWNVRKRSLZIBEA-OAQYLSRUSA-N 2 2 421.585 4.200 20 0 HIADLP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000483361780 898999528 /nfs/dbraw/zinc/99/95/28/898999528.db2.gz VLRPUQHVLWBNRY-GOSISDBHSA-N 2 2 423.536 4.259 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483572955 899227698 /nfs/dbraw/zinc/22/76/98/899227698.db2.gz LBHDYZRERHFPEW-RPBOFIJWSA-N 2 2 414.553 4.058 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483572955 899227712 /nfs/dbraw/zinc/22/77/12/899227712.db2.gz LBHDYZRERHFPEW-RPBOFIJWSA-N 2 2 414.553 4.058 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000483720665 899380606 /nfs/dbraw/zinc/38/06/06/899380606.db2.gz GKAYMDVMVAVKID-RLWLMLJZSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000483720665 899380620 /nfs/dbraw/zinc/38/06/20/899380620.db2.gz GKAYMDVMVAVKID-RLWLMLJZSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000483720665 899380634 /nfs/dbraw/zinc/38/06/34/899380634.db2.gz GKAYMDVMVAVKID-RLWLMLJZSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000483720665 899380646 /nfs/dbraw/zinc/38/06/46/899380646.db2.gz GKAYMDVMVAVKID-RLWLMLJZSA-N 3 2 418.585 4.307 20 0 HIADLP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1OCC(=O)N(C)C ZINC000483816106 899493572 /nfs/dbraw/zinc/49/35/72/899493572.db2.gz DMBSNGYKMYTMJZ-GCJKJVERSA-N 2 2 406.530 4.141 20 0 HIADLP Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)cc1 ZINC000483948762 899601833 /nfs/dbraw/zinc/60/18/33/899601833.db2.gz AGVNCYYWIBENME-UHFFFAOYSA-N 2 2 402.542 4.018 20 0 HIADLP CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000483965448 899611799 /nfs/dbraw/zinc/61/17/99/899611799.db2.gz MPBRHQKVKXMNTH-IBGZPJMESA-N 2 2 422.495 4.194 20 0 HIADLP CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000483965448 899611812 /nfs/dbraw/zinc/61/18/12/899611812.db2.gz MPBRHQKVKXMNTH-IBGZPJMESA-N 2 2 422.495 4.194 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000484154980 899775499 /nfs/dbraw/zinc/77/54/99/899775499.db2.gz DJUJSEYREIHFNR-LAUBAEHRSA-N 2 2 414.391 4.376 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000484154980 899775505 /nfs/dbraw/zinc/77/55/05/899775505.db2.gz DJUJSEYREIHFNR-LAUBAEHRSA-N 2 2 414.391 4.376 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC(F)(F)F)cc1 ZINC000484159304 899779509 /nfs/dbraw/zinc/77/95/09/899779509.db2.gz KEQIQQPKSYLIDQ-WEYGHZABSA-N 2 2 422.491 4.161 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC(F)(F)F)cc1 ZINC000484159304 899779515 /nfs/dbraw/zinc/77/95/15/899779515.db2.gz KEQIQQPKSYLIDQ-WEYGHZABSA-N 2 2 422.491 4.161 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000484177316 899794970 /nfs/dbraw/zinc/79/49/70/899794970.db2.gz OSHBHYLSBNQLBP-ZLGUVYLKSA-N 2 2 405.369 4.453 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000484177316 899794978 /nfs/dbraw/zinc/79/49/78/899794978.db2.gz OSHBHYLSBNQLBP-ZLGUVYLKSA-N 2 2 405.369 4.453 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(-c2ccncc2)c1 ZINC000484178827 899796417 /nfs/dbraw/zinc/79/64/17/899796417.db2.gz RAALKINUGQXWES-GKBBYZSKSA-N 2 2 401.554 4.282 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(-c2ccncc2)c1 ZINC000484178827 899796424 /nfs/dbraw/zinc/79/64/24/899796424.db2.gz RAALKINUGQXWES-GKBBYZSKSA-N 2 2 401.554 4.282 20 0 HIADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000485681031 900932820 /nfs/dbraw/zinc/93/28/20/900932820.db2.gz ALAKEQHDFYIGPC-UHFFFAOYSA-N 2 2 404.514 4.128 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCC1)c1ccccc1 ZINC000485771234 901027924 /nfs/dbraw/zinc/02/79/24/901027924.db2.gz CEJFBNDXRLGENW-LEWJYISDSA-N 2 2 423.605 4.048 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486506692 901657096 /nfs/dbraw/zinc/65/70/96/901657096.db2.gz OKAONBCJPHRNPC-YADHBBJMSA-N 2 2 404.574 4.189 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486506692 901657099 /nfs/dbraw/zinc/65/70/99/901657099.db2.gz OKAONBCJPHRNPC-YADHBBJMSA-N 2 2 404.574 4.189 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1Cl ZINC000487941555 902471457 /nfs/dbraw/zinc/47/14/57/902471457.db2.gz FHYZLVAHNDTTEF-MRXNPFEDSA-N 2 2 403.979 4.178 20 0 HIADLP Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000489182763 903247374 /nfs/dbraw/zinc/24/73/74/903247374.db2.gz FYKIQOUININNAF-NRFANRHFSA-N 2 2 414.638 4.282 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000489387902 903360042 /nfs/dbraw/zinc/36/00/42/903360042.db2.gz HXNUWHXBQPBNNI-RTWAWAEBSA-N 2 2 408.590 4.194 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000489387902 903360054 /nfs/dbraw/zinc/36/00/54/903360054.db2.gz HXNUWHXBQPBNNI-RTWAWAEBSA-N 2 2 408.590 4.194 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000489906469 903664861 /nfs/dbraw/zinc/66/48/61/903664861.db2.gz HKWQFWUCTFGUDE-LJQANCHMSA-N 2 2 421.614 4.485 20 0 HIADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490983461 904349033 /nfs/dbraw/zinc/34/90/33/904349033.db2.gz CPCFWUWXXZSMSU-UWVAXJGDSA-N 2 2 402.970 4.014 20 0 HIADLP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490983461 904349051 /nfs/dbraw/zinc/34/90/51/904349051.db2.gz CPCFWUWXXZSMSU-UWVAXJGDSA-N 2 2 402.970 4.014 20 0 HIADLP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000491870683 904715921 /nfs/dbraw/zinc/71/59/21/904715921.db2.gz YBNYAAMCZUKEIE-QGZVFWFLSA-N 2 2 423.388 4.123 20 0 HIADLP CC(C)C[C@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000491875136 904718216 /nfs/dbraw/zinc/71/82/16/904718216.db2.gz JLSVYJALKPDWMJ-DENIHFKCSA-N 2 2 420.561 4.213 20 0 HIADLP COc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccc(F)cc2)cc1 ZINC000493246591 905065812 /nfs/dbraw/zinc/06/58/12/905065812.db2.gz INIXSFRXYJURJF-UIOOFZCWSA-N 2 2 420.528 4.150 20 0 HIADLP COc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccc(F)cc2)cc1 ZINC000493246591 905065839 /nfs/dbraw/zinc/06/58/39/905065839.db2.gz INIXSFRXYJURJF-UIOOFZCWSA-N 2 2 420.528 4.150 20 0 HIADLP Cc1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000493278064 905075071 /nfs/dbraw/zinc/07/50/71/905075071.db2.gz SIZJDGHYOKUFBY-DEOSSOPVSA-N 2 2 423.582 4.283 20 0 HIADLP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CCN(CCc2ccccn2)CC1 ZINC000512389882 921126159 /nfs/dbraw/zinc/12/61/59/921126159.db2.gz UVOIJNGVNSYVEJ-UHFFFAOYSA-N 2 2 408.634 4.179 20 0 HIADLP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CCN(CCc2ccccn2)CC1 ZINC000512389882 921126168 /nfs/dbraw/zinc/12/61/68/921126168.db2.gz UVOIJNGVNSYVEJ-UHFFFAOYSA-N 2 2 408.634 4.179 20 0 HIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000512389882 921126174 /nfs/dbraw/zinc/12/61/74/921126174.db2.gz UVOIJNGVNSYVEJ-UHFFFAOYSA-N 2 2 408.634 4.179 20 0 HIADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000512389882 921126183 /nfs/dbraw/zinc/12/61/83/921126183.db2.gz UVOIJNGVNSYVEJ-UHFFFAOYSA-N 2 2 408.634 4.179 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000512395637 921131910 /nfs/dbraw/zinc/13/19/10/921131910.db2.gz YLOLJORREGHSBJ-UHFFFAOYSA-N 2 2 414.351 4.285 20 0 HIADLP COCC[N@H+](Cc1cc(Br)cs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000494040039 905381439 /nfs/dbraw/zinc/38/14/39/905381439.db2.gz WLBNHWKBYNVZJE-UHFFFAOYSA-N 2 2 406.349 4.345 20 0 HIADLP COCC[N@@H+](Cc1cc(Br)cs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000494040039 905381460 /nfs/dbraw/zinc/38/14/60/905381460.db2.gz WLBNHWKBYNVZJE-UHFFFAOYSA-N 2 2 406.349 4.345 20 0 HIADLP C[C@@H]1[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000494039994 905381694 /nfs/dbraw/zinc/38/16/94/905381694.db2.gz WEZBRWFRHUXUEY-ZFJSRUIDSA-N 2 2 420.601 4.272 20 0 HIADLP C[C@@H]1[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000494039994 905381713 /nfs/dbraw/zinc/38/17/13/905381713.db2.gz WEZBRWFRHUXUEY-ZFJSRUIDSA-N 2 2 420.601 4.272 20 0 HIADLP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494568236 905840601 /nfs/dbraw/zinc/84/06/01/905840601.db2.gz XDTKFKOPLOBERL-DHIUTWEWSA-N 2 2 409.578 4.067 20 0 HIADLP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000495023418 906183089 /nfs/dbraw/zinc/18/30/89/906183089.db2.gz GVKSMFTWWCGNNP-ZEQRLZLVSA-N 2 2 423.605 4.169 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495185277 906297143 /nfs/dbraw/zinc/29/71/43/906297143.db2.gz UQLBHCTZPDVKNG-NTKDMRAZSA-N 2 2 402.542 4.074 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495185277 906297166 /nfs/dbraw/zinc/29/71/66/906297166.db2.gz UQLBHCTZPDVKNG-NTKDMRAZSA-N 2 2 402.542 4.074 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495185277 906297189 /nfs/dbraw/zinc/29/71/89/906297189.db2.gz UQLBHCTZPDVKNG-NTKDMRAZSA-N 2 2 402.542 4.074 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000495185277 906297207 /nfs/dbraw/zinc/29/72/07/906297207.db2.gz UQLBHCTZPDVKNG-NTKDMRAZSA-N 2 2 402.542 4.074 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000512557804 921234872 /nfs/dbraw/zinc/23/48/72/921234872.db2.gz YDILTIVUTYHGED-UHFFFAOYSA-N 2 2 416.972 4.121 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000495426030 906444888 /nfs/dbraw/zinc/44/48/88/906444888.db2.gz ISGAMZLYUBVLTO-LQWHRVPQSA-N 2 2 407.537 4.276 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnn1-c1ccc(F)cc1 ZINC000495426030 906444892 /nfs/dbraw/zinc/44/48/92/906444892.db2.gz ISGAMZLYUBVLTO-LQWHRVPQSA-N 2 2 407.537 4.276 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC000512618660 921264397 /nfs/dbraw/zinc/26/43/97/921264397.db2.gz JMTWMQWDCAKYEF-NXCFDTQHSA-N 3 2 414.597 4.364 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC000512618660 921264402 /nfs/dbraw/zinc/26/44/02/921264402.db2.gz JMTWMQWDCAKYEF-NXCFDTQHSA-N 3 2 414.597 4.364 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2cc(C(F)F)ccc2Cl)([NH+]2CCCCC2)CC1 ZINC000497381194 906868581 /nfs/dbraw/zinc/86/85/81/906868581.db2.gz CEFDOKNSGPIENG-UHFFFAOYSA-N 2 2 414.928 4.349 20 0 HIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc2)c[nH+]1 ZINC000512648531 921273856 /nfs/dbraw/zinc/27/38/56/921273856.db2.gz NZFPGTZPFHKNBP-NXCFDTQHSA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2)c[nH+]1 ZINC000512648531 921273860 /nfs/dbraw/zinc/27/38/60/921273860.db2.gz NZFPGTZPFHKNBP-NXCFDTQHSA-N 3 2 400.570 4.322 20 0 HIADLP Brc1ccc([C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccco2)cc1 ZINC000497541002 907031813 /nfs/dbraw/zinc/03/18/13/907031813.db2.gz YXCSNCMOTQBGIT-HXUWFJFHSA-N 2 2 400.320 4.497 20 0 HIADLP C[C@H](C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)c1cccc(Br)c1 ZINC000512697720 921291166 /nfs/dbraw/zinc/29/11/66/921291166.db2.gz USDRVJZSVBLNPW-QYZOEREBSA-N 2 2 408.428 4.043 20 0 HIADLP COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000497757089 907249476 /nfs/dbraw/zinc/24/94/76/907249476.db2.gz ZWJMPWQIOGMVNZ-GCARBXITSA-N 2 2 410.558 4.039 20 0 HIADLP COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)C[NH+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000497757089 907249495 /nfs/dbraw/zinc/24/94/95/907249495.db2.gz ZWJMPWQIOGMVNZ-GCARBXITSA-N 2 2 410.558 4.039 20 0 HIADLP COc1ccc([C@H]2CCC[NH+]2C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000497757089 907249509 /nfs/dbraw/zinc/24/95/09/907249509.db2.gz ZWJMPWQIOGMVNZ-GCARBXITSA-N 2 2 410.558 4.039 20 0 HIADLP COc1ccc([C@H]2CCC[NH+]2C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000497757089 907249517 /nfs/dbraw/zinc/24/95/17/907249517.db2.gz ZWJMPWQIOGMVNZ-GCARBXITSA-N 2 2 410.558 4.039 20 0 HIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C(C)=C/c2ccccc2COC)[C@@H]1c1cnn(C)c1 ZINC000512784568 921310606 /nfs/dbraw/zinc/31/06/06/921310606.db2.gz YVDGHUHVPZMIGG-BCNKFPRESA-N 2 2 410.606 4.375 20 0 HIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C(C)=C/c2ccccc2COC)[C@@H]1c1cnn(C)c1 ZINC000512784568 921310610 /nfs/dbraw/zinc/31/06/10/921310610.db2.gz YVDGHUHVPZMIGG-BCNKFPRESA-N 2 2 410.606 4.375 20 0 HIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C(C)=C/c2ccccc2COC)[C@@H]1c1cnn(C)c1 ZINC000512784568 921310613 /nfs/dbraw/zinc/31/06/13/921310613.db2.gz YVDGHUHVPZMIGG-BCNKFPRESA-N 2 2 410.606 4.375 20 0 HIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C(C)=C/c2ccccc2COC)[C@@H]1c1cnn(C)c1 ZINC000512784568 921310616 /nfs/dbraw/zinc/31/06/16/921310616.db2.gz YVDGHUHVPZMIGG-BCNKFPRESA-N 2 2 410.606 4.375 20 0 HIADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccc5ccccc5c4)C3)CC2)nc1 ZINC000498557246 908017163 /nfs/dbraw/zinc/01/71/63/908017163.db2.gz VUHDZRDKTGMTOM-HSZRJFAPSA-N 2 2 400.570 4.269 20 0 HIADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccc5ccccc5c4)C3)CC2)nc1 ZINC000498557246 908017188 /nfs/dbraw/zinc/01/71/88/908017188.db2.gz VUHDZRDKTGMTOM-HSZRJFAPSA-N 2 2 400.570 4.269 20 0 HIADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4cccc5ccccc54)C3)CC2)nc1 ZINC000498576737 908033266 /nfs/dbraw/zinc/03/32/66/908033266.db2.gz UZFGVQAEMSRFMT-JOCHJYFZSA-N 2 2 400.570 4.269 20 0 HIADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4cccc5ccccc54)C3)CC2)nc1 ZINC000498576737 908033271 /nfs/dbraw/zinc/03/32/71/908033271.db2.gz UZFGVQAEMSRFMT-JOCHJYFZSA-N 2 2 400.570 4.269 20 0 HIADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)CCO1 ZINC000499144130 908501196 /nfs/dbraw/zinc/50/11/96/908501196.db2.gz VHMHWWXCJUXDFL-VPIUVCPKSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)CCO1 ZINC000499144130 908501205 /nfs/dbraw/zinc/50/12/05/908501205.db2.gz VHMHWWXCJUXDFL-VPIUVCPKSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)CCO1 ZINC000499144130 908501228 /nfs/dbraw/zinc/50/12/28/908501228.db2.gz VHMHWWXCJUXDFL-VPIUVCPKSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@H]1C[NH+](Cc2cccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)CCO1 ZINC000499144130 908501237 /nfs/dbraw/zinc/50/12/37/908501237.db2.gz VHMHWWXCJUXDFL-VPIUVCPKSA-N 3 2 419.613 4.193 20 0 HIADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)Nc1nccs1 ZINC000499174086 908525335 /nfs/dbraw/zinc/52/53/35/908525335.db2.gz GXVPUTKDIUZERU-BURNTYAHSA-N 2 2 412.603 4.282 20 0 HIADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)Nc1nccs1 ZINC000499174086 908525344 /nfs/dbraw/zinc/52/53/44/908525344.db2.gz GXVPUTKDIUZERU-BURNTYAHSA-N 2 2 412.603 4.282 20 0 HIADLP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501959582 910945384 /nfs/dbraw/zinc/94/53/84/910945384.db2.gz QUZGXVVAAGIHPU-RDPSFJRHSA-N 2 2 402.542 4.229 20 0 HIADLP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501959582 910945399 /nfs/dbraw/zinc/94/53/99/910945399.db2.gz QUZGXVVAAGIHPU-RDPSFJRHSA-N 2 2 402.542 4.229 20 0 HIADLP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1[nH]cc[nH+]1)[NH+](C)C ZINC000502095641 911034151 /nfs/dbraw/zinc/03/41/51/911034151.db2.gz HSSPPSQKECBSQH-SFHVURJKSA-N 2 2 411.377 4.264 20 0 HIADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502299629 911259008 /nfs/dbraw/zinc/25/90/08/911259008.db2.gz IZFLPGRARVVPEB-QFIPXVFZSA-N 2 2 403.574 4.461 20 0 HIADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502299629 911259034 /nfs/dbraw/zinc/25/90/34/911259034.db2.gz IZFLPGRARVVPEB-QFIPXVFZSA-N 2 2 403.574 4.461 20 0 HIADLP C[C@@H]([NH2+]C1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCC1)c1ccccc1 ZINC000502950793 911934461 /nfs/dbraw/zinc/93/44/61/911934461.db2.gz MYGYYWKRLJTEMK-HXUWFJFHSA-N 2 2 421.589 4.145 20 0 HIADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503064133 912030276 /nfs/dbraw/zinc/03/02/76/912030276.db2.gz PSLPWMCEGVAOMB-YOEHRIQHSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503064133 912030294 /nfs/dbraw/zinc/03/02/94/912030294.db2.gz PSLPWMCEGVAOMB-YOEHRIQHSA-N 2 2 401.308 4.384 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000503070338 912037505 /nfs/dbraw/zinc/03/75/05/912037505.db2.gz CCDVCEFQDPXZAL-QHCPKHFHSA-N 2 2 406.530 4.292 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000503070338 912037522 /nfs/dbraw/zinc/03/75/22/912037522.db2.gz CCDVCEFQDPXZAL-QHCPKHFHSA-N 2 2 406.530 4.292 20 0 HIADLP CC[NH+]1CCC([N@H+](C)Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000506686901 915365244 /nfs/dbraw/zinc/36/52/44/915365244.db2.gz ATRMBYSBNRDVEH-UHFFFAOYSA-N 2 2 405.384 4.168 20 0 HIADLP CC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000506686901 915365267 /nfs/dbraw/zinc/36/52/67/915365267.db2.gz ATRMBYSBNRDVEH-UHFFFAOYSA-N 2 2 405.384 4.168 20 0 HIADLP FC(F)(F)c1cc(Br)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000506882049 915674381 /nfs/dbraw/zinc/67/43/81/915674381.db2.gz SSPALTBJQFFVBF-UHFFFAOYSA-N 2 2 421.301 4.012 20 0 HIADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000507521548 916282474 /nfs/dbraw/zinc/28/24/74/916282474.db2.gz YXVBORRUXDYTPI-CCDWMCETSA-N 2 2 400.570 4.126 20 0 HIADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000507521548 916282488 /nfs/dbraw/zinc/28/24/88/916282488.db2.gz YXVBORRUXDYTPI-CCDWMCETSA-N 2 2 400.570 4.126 20 0 HIADLP C[C@@H](CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@H+](C)Cc1ccccc1 ZINC000507586074 916340242 /nfs/dbraw/zinc/34/02/42/916340242.db2.gz OZDPTXIVOWNFOH-UNMCSNQZSA-N 2 2 423.605 4.019 20 0 HIADLP C[C@@H](CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000507586074 916340264 /nfs/dbraw/zinc/34/02/64/916340264.db2.gz OZDPTXIVOWNFOH-UNMCSNQZSA-N 2 2 423.605 4.019 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000508067881 916890316 /nfs/dbraw/zinc/89/03/16/916890316.db2.gz AQBRQDOVNGKESK-GOSISDBHSA-N 2 2 424.372 4.286 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000508067881 916890318 /nfs/dbraw/zinc/89/03/18/916890318.db2.gz AQBRQDOVNGKESK-GOSISDBHSA-N 2 2 424.372 4.286 20 0 HIADLP C[C@@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508499911 917284131 /nfs/dbraw/zinc/28/41/31/917284131.db2.gz ACNCMXSYFQRKOJ-HBMCJLEFSA-N 2 2 416.569 4.476 20 0 HIADLP C[C@@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508499911 917284139 /nfs/dbraw/zinc/28/41/39/917284139.db2.gz ACNCMXSYFQRKOJ-HBMCJLEFSA-N 2 2 416.569 4.476 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000508638979 917403733 /nfs/dbraw/zinc/40/37/33/917403733.db2.gz PRHKQWSAKDMESI-XLIONFOSSA-N 2 2 403.954 4.086 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000508638979 917403743 /nfs/dbraw/zinc/40/37/43/917403743.db2.gz PRHKQWSAKDMESI-XLIONFOSSA-N 2 2 403.954 4.086 20 0 HIADLP CCOc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OCC(F)(F)F ZINC000508676126 917439932 /nfs/dbraw/zinc/43/99/32/917439932.db2.gz KPTFXBQTLSGTDC-INIZCTEOSA-N 2 2 411.468 4.215 20 0 HIADLP CCOc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OCC(F)(F)F ZINC000508676126 917439934 /nfs/dbraw/zinc/43/99/34/917439934.db2.gz KPTFXBQTLSGTDC-INIZCTEOSA-N 2 2 411.468 4.215 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508857338 917611157 /nfs/dbraw/zinc/61/11/57/917611157.db2.gz WWYCTJWVOGNULM-HYBUGGRVSA-N 2 2 423.605 4.021 20 0 HIADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(OC)c1OCc1ccccc1 ZINC000510540880 918985491 /nfs/dbraw/zinc/98/54/91/918985491.db2.gz XCFFLIHCDUHPSQ-HXUWFJFHSA-N 2 2 407.514 4.386 20 0 HIADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(OC)c1OCc1ccccc1 ZINC000510540880 918985498 /nfs/dbraw/zinc/98/54/98/918985498.db2.gz XCFFLIHCDUHPSQ-HXUWFJFHSA-N 2 2 407.514 4.386 20 0 HIADLP C[C@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCCCCC1 ZINC000510851910 919340863 /nfs/dbraw/zinc/34/08/63/919340863.db2.gz OKCPIIDCSJOWJK-OAQYLSRUSA-N 2 2 416.569 4.479 20 0 HIADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc3cccnc32)o1 ZINC000510923241 919440037 /nfs/dbraw/zinc/44/00/37/919440037.db2.gz ZLXICJMYFAFZHG-UHFFFAOYSA-N 2 2 411.303 4.489 20 0 HIADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc3cccnc32)o1 ZINC000510923241 919440040 /nfs/dbraw/zinc/44/00/40/919440040.db2.gz ZLXICJMYFAFZHG-UHFFFAOYSA-N 2 2 411.303 4.489 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000511219981 919828887 /nfs/dbraw/zinc/82/88/87/919828887.db2.gz DKMPBHYQVZCQEB-UHFFFAOYSA-N 2 2 424.548 4.493 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000511219981 919828889 /nfs/dbraw/zinc/82/88/89/919828889.db2.gz DKMPBHYQVZCQEB-UHFFFAOYSA-N 2 2 424.548 4.493 20 0 HIADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511246012 919845643 /nfs/dbraw/zinc/84/56/43/919845643.db2.gz DLVLJSLXMCDNIT-FOZDKVSISA-N 2 2 421.589 4.064 20 0 HIADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511246012 919845644 /nfs/dbraw/zinc/84/56/44/919845644.db2.gz DLVLJSLXMCDNIT-FOZDKVSISA-N 2 2 421.589 4.064 20 0 HIADLP CC(=O)N(c1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1)c1ccc(C)cc1 ZINC000511477069 920086483 /nfs/dbraw/zinc/08/64/83/920086483.db2.gz JUKZNVQJXXTQOF-UHFFFAOYSA-N 2 2 400.592 4.300 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000511643161 920309692 /nfs/dbraw/zinc/30/96/92/920309692.db2.gz CGTKKQPXSMYMBW-UHFFFAOYSA-N 2 2 410.521 4.434 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000511643161 920309712 /nfs/dbraw/zinc/30/97/12/920309712.db2.gz CGTKKQPXSMYMBW-UHFFFAOYSA-N 2 2 410.521 4.434 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000511646293 920312785 /nfs/dbraw/zinc/31/27/85/920312785.db2.gz JQXBBYZMXGUYDH-UYAOXDASSA-N 2 2 412.603 4.226 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000511646293 920312805 /nfs/dbraw/zinc/31/28/05/920312805.db2.gz JQXBBYZMXGUYDH-UYAOXDASSA-N 2 2 412.603 4.226 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)C1 ZINC000511646293 920312825 /nfs/dbraw/zinc/31/28/25/920312825.db2.gz JQXBBYZMXGUYDH-UYAOXDASSA-N 2 2 412.603 4.226 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)C1 ZINC000511646293 920312846 /nfs/dbraw/zinc/31/28/46/920312846.db2.gz JQXBBYZMXGUYDH-UYAOXDASSA-N 2 2 412.603 4.226 20 0 HIADLP CC(C)N1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511925349 920672882 /nfs/dbraw/zinc/67/28/82/920672882.db2.gz YBGXKVDRYLDDNY-AZUAARDMSA-N 2 2 410.990 4.311 20 0 HIADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)sc1Br ZINC000512004205 920772626 /nfs/dbraw/zinc/77/26/26/920772626.db2.gz COPDZOCFOXAORY-HNAYVOBHSA-N 2 2 409.393 4.107 20 0 HIADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)sc1Br ZINC000512004205 920772648 /nfs/dbraw/zinc/77/26/48/920772648.db2.gz COPDZOCFOXAORY-HNAYVOBHSA-N 2 2 409.393 4.107 20 0 HIADLP C[C@H]([NH2+]Cc1cscc1Br)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000512007806 920779642 /nfs/dbraw/zinc/77/96/42/920779642.db2.gz LAQDZROUZOKRSM-ZDUSSCGKSA-N 2 2 412.372 4.252 20 0 HIADLP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cn1cc[nH+]c1 ZINC000512036333 920809239 /nfs/dbraw/zinc/80/92/39/920809239.db2.gz HFPXVOYYABCDQC-CHWSQXEVSA-N 2 2 402.848 4.198 20 0 HIADLP COc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(Br)c1 ZINC000512109494 920865842 /nfs/dbraw/zinc/86/58/42/920865842.db2.gz WMXXIEWKAGYKDA-UHFFFAOYSA-N 2 2 400.320 4.035 20 0 HIADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](c2ccccc2)N2CCc3sccc3C2)s1 ZINC000512135359 920882598 /nfs/dbraw/zinc/88/25/98/920882598.db2.gz JAWPQHSLKZAFEU-FQEVSTJZSA-N 2 2 412.628 4.155 20 0 HIADLP OCC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000512182940 920925814 /nfs/dbraw/zinc/92/58/14/920925814.db2.gz SVHYONMWWFFXHT-UGKGYDQZSA-N 2 2 423.384 4.298 20 0 HIADLP OCC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000512182940 920925830 /nfs/dbraw/zinc/92/58/30/920925830.db2.gz SVHYONMWWFFXHT-UGKGYDQZSA-N 2 2 423.384 4.298 20 0 HIADLP O=C(c1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1)N1CCCCC1 ZINC000512287742 921043193 /nfs/dbraw/zinc/04/31/93/921043193.db2.gz VXBACUUAIYYRPD-HHHXNRCGSA-N 2 2 417.597 4.411 20 0 HIADLP O=C(c1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1)N1CCCCC1 ZINC000512287742 921043203 /nfs/dbraw/zinc/04/32/03/921043203.db2.gz VXBACUUAIYYRPD-HHHXNRCGSA-N 2 2 417.597 4.411 20 0 HIADLP O=C(c1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1)N1CCCCC1 ZINC000512287742 921043217 /nfs/dbraw/zinc/04/32/17/921043217.db2.gz VXBACUUAIYYRPD-HHHXNRCGSA-N 2 2 417.597 4.411 20 0 HIADLP O=C(c1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1)N1CCCCC1 ZINC000512287742 921043224 /nfs/dbraw/zinc/04/32/24/921043224.db2.gz VXBACUUAIYYRPD-HHHXNRCGSA-N 2 2 417.597 4.411 20 0 HIADLP C[N@H+](Cc1cnc2ccc(Br)cn12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513460618 921824573 /nfs/dbraw/zinc/82/45/73/921824573.db2.gz GVSKPWQATDMPHU-UHFFFAOYSA-N 2 2 413.363 4.193 20 0 HIADLP C[N@@H+](Cc1cnc2ccc(Br)cn12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513460618 921824578 /nfs/dbraw/zinc/82/45/78/921824578.db2.gz GVSKPWQATDMPHU-UHFFFAOYSA-N 2 2 413.363 4.193 20 0 HIADLP C[N@H+](Cc1ccc(-c2ccccc2Br)s1)C1CC[NH+](CCO)CC1 ZINC000513535862 921876309 /nfs/dbraw/zinc/87/63/09/921876309.db2.gz AVUSTCKEBQYAFZ-UHFFFAOYSA-N 2 2 409.393 4.066 20 0 HIADLP C[N@@H+](Cc1ccc(-c2ccccc2Br)s1)C1CC[NH+](CCO)CC1 ZINC000513535862 921876316 /nfs/dbraw/zinc/87/63/16/921876316.db2.gz AVUSTCKEBQYAFZ-UHFFFAOYSA-N 2 2 409.393 4.066 20 0 HIADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000513582821 921915556 /nfs/dbraw/zinc/91/55/56/921915556.db2.gz RWRMFJKROHFRPS-UHFFFAOYSA-N 2 2 402.542 4.237 20 0 HIADLP CN(c1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000514097700 922424150 /nfs/dbraw/zinc/42/41/50/922424150.db2.gz AFIKPUZKECCIFG-XMMPIXPASA-N 2 2 415.528 4.069 20 0 HIADLP CN(c1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000514097700 922424159 /nfs/dbraw/zinc/42/41/59/922424159.db2.gz AFIKPUZKECCIFG-XMMPIXPASA-N 2 2 415.528 4.069 20 0 HIADLP CC1CC[NH+]([C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c2cccs2)CC1 ZINC000514182696 922521973 /nfs/dbraw/zinc/52/19/73/922521973.db2.gz OFVSLPAYNQJWGI-NRFANRHFSA-N 2 2 423.586 4.206 20 0 HIADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000514965547 922857846 /nfs/dbraw/zinc/85/78/46/922857846.db2.gz INRLYNSOUWLVNY-GOSISDBHSA-N 2 2 410.949 4.112 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000516494052 923756753 /nfs/dbraw/zinc/75/67/53/923756753.db2.gz DZYNMJVTDOPBBZ-OAQYLSRUSA-N 2 2 415.965 4.177 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000516494052 923756768 /nfs/dbraw/zinc/75/67/68/923756768.db2.gz DZYNMJVTDOPBBZ-OAQYLSRUSA-N 2 2 415.965 4.177 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000519506687 927998195 /nfs/dbraw/zinc/99/81/95/927998195.db2.gz GOLNUGMDPFXVKO-CJFMBICVSA-N 2 2 405.542 4.392 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000519506687 927998205 /nfs/dbraw/zinc/99/82/05/927998205.db2.gz GOLNUGMDPFXVKO-CJFMBICVSA-N 2 2 405.542 4.392 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3OC3CCCC3)cc2)CC1 ZINC000520947988 928885662 /nfs/dbraw/zinc/88/56/62/928885662.db2.gz KCKIJFBUHKBWNL-UHFFFAOYSA-N 2 2 407.602 4.435 20 0 HIADLP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(Cl)c1 ZINC000521057521 928966173 /nfs/dbraw/zinc/96/61/73/928966173.db2.gz YAIFBLUKKITBDQ-NRFANRHFSA-N 2 2 420.384 4.377 20 0 HIADLP CCC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](CC)c1ccccc1 ZINC000521193859 929054754 /nfs/dbraw/zinc/05/47/54/929054754.db2.gz VTQHYWYRDPVRMG-DEOSSOPVSA-N 2 2 409.574 4.321 20 0 HIADLP CCC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](CC)c1ccccc1 ZINC000521193859 929054768 /nfs/dbraw/zinc/05/47/68/929054768.db2.gz VTQHYWYRDPVRMG-DEOSSOPVSA-N 2 2 409.574 4.321 20 0 HIADLP Cc1cc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000524843960 929854689 /nfs/dbraw/zinc/85/46/89/929854689.db2.gz BLWRFTPMPPKAKJ-UHFFFAOYSA-N 2 2 423.467 4.115 20 0 HIADLP CC[C@H](C)Sc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000524858476 929861105 /nfs/dbraw/zinc/86/11/05/929861105.db2.gz KSLPOAZKFUBKEW-SFHVURJKSA-N 2 2 406.640 4.375 20 0 HIADLP CC[C@H](C)Sc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000524858476 929861110 /nfs/dbraw/zinc/86/11/10/929861110.db2.gz KSLPOAZKFUBKEW-SFHVURJKSA-N 2 2 406.640 4.375 20 0 HIADLP C[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1CCC1 ZINC000525409798 930223537 /nfs/dbraw/zinc/22/35/37/930223537.db2.gz OXHAZTDAYSCYJR-OAQYLSRUSA-N 2 2 421.585 4.321 20 0 HIADLP C[C@H](c1ccccc1)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1CCC1 ZINC000525409798 930223548 /nfs/dbraw/zinc/22/35/48/930223548.db2.gz OXHAZTDAYSCYJR-OAQYLSRUSA-N 2 2 421.585 4.321 20 0 HIADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(Br)cc1F ZINC000525857693 930469381 /nfs/dbraw/zinc/46/93/81/930469381.db2.gz SRMDYUCVMSRHHP-KKSFZXQISA-N 2 2 420.370 4.228 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000530646844 930785922 /nfs/dbraw/zinc/78/59/22/930785922.db2.gz OTEBBGUMSRQCAV-GOSISDBHSA-N 2 2 407.537 4.209 20 0 HIADLP C[C@@H](c1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000531293393 931005266 /nfs/dbraw/zinc/00/52/66/931005266.db2.gz QNALFQPWPZIVHI-GBXCKJPGSA-N 2 2 407.558 4.073 20 0 HIADLP C[C@@H](c1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000531293393 931005272 /nfs/dbraw/zinc/00/52/72/931005272.db2.gz QNALFQPWPZIVHI-GBXCKJPGSA-N 2 2 407.558 4.073 20 0 HIADLP Cc1cc2cc(C[NH2+]Cc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)oc2cc1C ZINC000531391669 931042056 /nfs/dbraw/zinc/04/20/56/931042056.db2.gz ZMZDLCIBYXIEBX-UHFFFAOYSA-N 2 2 421.541 4.000 20 0 HIADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000531710730 931170034 /nfs/dbraw/zinc/17/00/34/931170034.db2.gz VNIOGUXPMOJEOW-NQIIRXRSSA-N 2 2 403.517 4.236 20 0 HIADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000531758818 931185169 /nfs/dbraw/zinc/18/51/69/931185169.db2.gz PLPFLOQENRCEFU-PMACEKPBSA-N 2 2 411.571 4.414 20 0 HIADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000532195143 931344567 /nfs/dbraw/zinc/34/45/67/931344567.db2.gz YVEMQZWJIMEJJQ-GOSISDBHSA-N 2 2 410.949 4.112 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Br)cc1 ZINC000532204471 931349462 /nfs/dbraw/zinc/34/94/62/931349462.db2.gz LDAUIYPGRYXBQM-KRWDZBQOSA-N 2 2 419.363 4.011 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1sccc1Br ZINC000532449008 931439527 /nfs/dbraw/zinc/43/95/27/931439527.db2.gz ODSWVYHMSBJMIM-OAHLLOKOSA-N 2 2 408.409 4.109 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1sccc1Br ZINC000532449008 931439531 /nfs/dbraw/zinc/43/95/31/931439531.db2.gz ODSWVYHMSBJMIM-OAHLLOKOSA-N 2 2 408.409 4.109 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000532451105 931439921 /nfs/dbraw/zinc/43/99/21/931439921.db2.gz BIKHUDVNURSGBO-IBGZPJMESA-N 2 2 423.582 4.499 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000532461738 931445813 /nfs/dbraw/zinc/44/58/13/931445813.db2.gz QNXDIZZOTZSHDW-CTUHWIOQSA-N 2 2 413.009 4.372 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000532461738 931445816 /nfs/dbraw/zinc/44/58/16/931445816.db2.gz QNXDIZZOTZSHDW-CTUHWIOQSA-N 2 2 413.009 4.372 20 0 HIADLP CCOc1ccccc1Oc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000532475467 931453659 /nfs/dbraw/zinc/45/36/59/931453659.db2.gz FZWIUEZTMYDRPF-UHFFFAOYSA-N 2 2 404.514 4.426 20 0 HIADLP C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000532486843 931457342 /nfs/dbraw/zinc/45/73/42/931457342.db2.gz VLMSKJBWHCHMMY-GJZGRUSLSA-N 2 2 402.608 4.246 20 0 HIADLP CC[N@H+](CC[S@@](=O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073237 931763071 /nfs/dbraw/zinc/76/30/71/931763071.db2.gz MLEGTUAYFCJVPD-GDLZYMKVSA-N 2 2 414.619 4.007 20 0 HIADLP CC[N@@H+](CC[S@@](=O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073237 931763076 /nfs/dbraw/zinc/76/30/76/931763076.db2.gz MLEGTUAYFCJVPD-GDLZYMKVSA-N 2 2 414.619 4.007 20 0 HIADLP CC[N@H+](CCc1nc2ccccc2n1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073039 931763160 /nfs/dbraw/zinc/76/31/60/931763160.db2.gz RITBRUMLQASCEM-UHFFFAOYSA-N 2 2 420.605 4.329 20 0 HIADLP CC[N@@H+](CCc1nc2ccccc2n1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073039 931763168 /nfs/dbraw/zinc/76/31/68/931763168.db2.gz RITBRUMLQASCEM-UHFFFAOYSA-N 2 2 420.605 4.329 20 0 HIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000533187754 931804797 /nfs/dbraw/zinc/80/47/97/931804797.db2.gz KPOPBEKZQCEFIB-RDTXWAMCSA-N 2 2 411.493 4.039 20 0 HIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000533187754 931804798 /nfs/dbraw/zinc/80/47/98/931804798.db2.gz KPOPBEKZQCEFIB-RDTXWAMCSA-N 2 2 411.493 4.039 20 0 HIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000533187753 931804825 /nfs/dbraw/zinc/80/48/25/931804825.db2.gz KPOPBEKZQCEFIB-KSSFIOAISA-N 2 2 411.493 4.039 20 0 HIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000533187753 931804826 /nfs/dbraw/zinc/80/48/26/931804826.db2.gz KPOPBEKZQCEFIB-KSSFIOAISA-N 2 2 411.493 4.039 20 0 HIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000533360552 931848120 /nfs/dbraw/zinc/84/81/20/931848120.db2.gz PVLBUKPWDWXWQZ-FQEVSTJZSA-N 2 2 402.542 4.371 20 0 HIADLP CC(C)[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000533663241 931956436 /nfs/dbraw/zinc/95/64/36/931956436.db2.gz WKWAYJVJJZFCLD-VXNXHJTFSA-N 2 2 414.638 4.362 20 0 HIADLP CC(C)[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000533663241 931956439 /nfs/dbraw/zinc/95/64/39/931956439.db2.gz WKWAYJVJJZFCLD-VXNXHJTFSA-N 2 2 414.638 4.362 20 0 HIADLP C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682660 931968346 /nfs/dbraw/zinc/96/83/46/931968346.db2.gz KWDYLXYOKRWHNL-FGZHOGPDSA-N 2 2 415.940 4.250 20 0 HIADLP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533682660 931968348 /nfs/dbraw/zinc/96/83/48/931968348.db2.gz KWDYLXYOKRWHNL-FGZHOGPDSA-N 2 2 415.940 4.250 20 0 HIADLP O=C(NCCCCC[NH+]1CCCCC1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533879155 932077015 /nfs/dbraw/zinc/07/70/15/932077015.db2.gz IEAKTICKHAQEHP-UHFFFAOYSA-N 2 2 407.562 4.380 20 0 HIADLP CCOc1cc(F)ccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534195752 932326270 /nfs/dbraw/zinc/32/62/70/932326270.db2.gz QOGRWYAWKIJIGB-NHCUHLMSSA-N 2 2 420.573 4.025 20 0 HIADLP CCOc1cc(F)ccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534195752 932326280 /nfs/dbraw/zinc/32/62/80/932326280.db2.gz QOGRWYAWKIJIGB-NHCUHLMSSA-N 2 2 420.573 4.025 20 0 HIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)c(OC)c(Br)c2)CC1 ZINC000534330853 932384714 /nfs/dbraw/zinc/38/47/14/932384714.db2.gz YKUBBBCVEGKMFN-UHFFFAOYSA-N 2 2 420.189 4.136 20 0 HIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c(OC)c(Br)c2)CC1 ZINC000534330853 932384721 /nfs/dbraw/zinc/38/47/21/932384721.db2.gz YKUBBBCVEGKMFN-UHFFFAOYSA-N 2 2 420.189 4.136 20 0 HIADLP Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360824 932393660 /nfs/dbraw/zinc/39/36/60/932393660.db2.gz QNENXAHGHUBCAP-VXKWHMMOSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1oc(-c2ccccc2)nc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360824 932393666 /nfs/dbraw/zinc/39/36/66/932393666.db2.gz QNENXAHGHUBCAP-VXKWHMMOSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1cc(CCCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000534362559 932396179 /nfs/dbraw/zinc/39/61/79/932396179.db2.gz IMZVRRWREDZPIJ-XZOQPEGZSA-N 2 2 419.679 4.483 20 0 HIADLP Cc1cc(CCCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000534362559 932396186 /nfs/dbraw/zinc/39/61/86/932396186.db2.gz IMZVRRWREDZPIJ-XZOQPEGZSA-N 2 2 419.679 4.483 20 0 HIADLP CN(C(=O)NCC(C)(C)c1cccs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375429 932403877 /nfs/dbraw/zinc/40/38/77/932403877.db2.gz YWLGSFHYWROUES-VQTJNVASSA-N 2 2 420.667 4.004 20 0 HIADLP CN(C(=O)NCC(C)(C)c1cccs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375429 932403882 /nfs/dbraw/zinc/40/38/82/932403882.db2.gz YWLGSFHYWROUES-VQTJNVASSA-N 2 2 420.667 4.004 20 0 HIADLP Cc1cc(C)cc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534385147 932411558 /nfs/dbraw/zinc/41/15/58/932411558.db2.gz NVVZOACIQXPIBW-TUACAJSNSA-N 2 2 414.638 4.343 20 0 HIADLP Cc1cc(C)cc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534385147 932411561 /nfs/dbraw/zinc/41/15/61/932411561.db2.gz NVVZOACIQXPIBW-TUACAJSNSA-N 2 2 414.638 4.343 20 0 HIADLP O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534862455 932812551 /nfs/dbraw/zinc/81/25/51/932812551.db2.gz JFJINUNZCBKCPG-QHCPKHFHSA-N 2 2 403.526 4.065 20 0 HIADLP CC(C)c1cc(N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000534881192 932821048 /nfs/dbraw/zinc/82/10/48/932821048.db2.gz PGNCHMZHYFICDJ-UHFFFAOYSA-N 2 2 417.642 4.175 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093308 932905448 /nfs/dbraw/zinc/90/54/48/932905448.db2.gz CMELUMAGARFXSO-VQTJNVASSA-N 2 2 417.981 4.495 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093308 932905456 /nfs/dbraw/zinc/90/54/56/932905456.db2.gz CMELUMAGARFXSO-VQTJNVASSA-N 2 2 417.981 4.495 20 0 HIADLP Cc1nc(C(C)(C)C)sc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093780 932906565 /nfs/dbraw/zinc/90/65/65/932906565.db2.gz DXLYHCZDQZPTQN-RBUKOAKNSA-N 2 2 420.667 4.158 20 0 HIADLP Cc1nc(C(C)(C)C)sc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093780 932906577 /nfs/dbraw/zinc/90/65/77/932906577.db2.gz DXLYHCZDQZPTQN-RBUKOAKNSA-N 2 2 420.667 4.158 20 0 HIADLP CN(C(=O)CCc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093605 932907945 /nfs/dbraw/zinc/90/79/45/932907945.db2.gz DIODROCCHRETCN-VXKWHMMOSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093605 932907959 /nfs/dbraw/zinc/90/79/59/932907959.db2.gz DIODROCCHRETCN-VXKWHMMOSA-N 2 2 406.014 4.068 20 0 HIADLP CSc1ccc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535094958 932908640 /nfs/dbraw/zinc/90/86/40/932908640.db2.gz IAAMTLNQTKOTTQ-FGZHOGPDSA-N 2 2 403.636 4.126 20 0 HIADLP CSc1ccc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535094958 932908650 /nfs/dbraw/zinc/90/86/50/932908650.db2.gz IAAMTLNQTKOTTQ-FGZHOGPDSA-N 2 2 403.636 4.126 20 0 HIADLP C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094658 932909436 /nfs/dbraw/zinc/90/94/36/932909436.db2.gz KJNAYCZEPJHDCK-YGOYIFOWSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094658 932909450 /nfs/dbraw/zinc/90/94/50/932909450.db2.gz KJNAYCZEPJHDCK-YGOYIFOWSA-N 2 2 417.613 4.190 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095680 932911790 /nfs/dbraw/zinc/91/17/90/932911790.db2.gz ROODRMJQFOWBAM-RTBURBONSA-N 2 2 412.043 4.130 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095680 932911801 /nfs/dbraw/zinc/91/18/01/932911801.db2.gz ROODRMJQFOWBAM-RTBURBONSA-N 2 2 412.043 4.130 20 0 HIADLP CC(C)OCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535099582 932915499 /nfs/dbraw/zinc/91/54/99/932915499.db2.gz JRJPJWVJFUPWHI-BJKOFHAPSA-N 2 2 415.622 4.021 20 0 HIADLP CC(C)OCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535099582 932915504 /nfs/dbraw/zinc/91/55/04/932915504.db2.gz JRJPJWVJFUPWHI-BJKOFHAPSA-N 2 2 415.622 4.021 20 0 HIADLP Clc1ccc(-n2cc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)nn2)c(Cl)c1 ZINC000535185964 933001257 /nfs/dbraw/zinc/00/12/57/933001257.db2.gz QAGRLABLEKKPAP-UHFFFAOYSA-N 2 2 416.356 4.460 20 0 HIADLP O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573515 933248394 /nfs/dbraw/zinc/24/83/94/933248394.db2.gz CUBXVZTUMUTTQZ-FQEVSTJZSA-N 2 2 400.526 4.127 20 0 HIADLP CO[C@H](C)c1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535653535 933295344 /nfs/dbraw/zinc/29/53/44/933295344.db2.gz BJKNKNRRFXGYHK-LEOXJPRUSA-N 2 2 416.610 4.195 20 0 HIADLP CO[C@H](C)c1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535653535 933295357 /nfs/dbraw/zinc/29/53/57/933295357.db2.gz BJKNKNRRFXGYHK-LEOXJPRUSA-N 2 2 416.610 4.195 20 0 HIADLP CN(C(=O)c1ccc(C(C)(C)C)s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850534 933432877 /nfs/dbraw/zinc/43/28/77/933432877.db2.gz DZQYRIYKPQVPOU-RTBURBONSA-N 2 2 405.652 4.455 20 0 HIADLP CN(C(=O)c1ccc(C(C)(C)C)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850534 933432882 /nfs/dbraw/zinc/43/28/82/933432882.db2.gz DZQYRIYKPQVPOU-RTBURBONSA-N 2 2 405.652 4.455 20 0 HIADLP Cc1c2cccc(C)c2oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850967 933433948 /nfs/dbraw/zinc/43/39/48/933433948.db2.gz YETZNCMUJKDUCY-YADHBBJMSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1c2cccc(C)c2oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850967 933433950 /nfs/dbraw/zinc/43/39/50/933433950.db2.gz YETZNCMUJKDUCY-YADHBBJMSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851977 933435860 /nfs/dbraw/zinc/43/58/60/933435860.db2.gz ZDNPTBHIYCERDG-SFTDATJTSA-N 2 2 415.553 4.290 20 0 HIADLP Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851977 933435865 /nfs/dbraw/zinc/43/58/65/933435865.db2.gz ZDNPTBHIYCERDG-SFTDATJTSA-N 2 2 415.553 4.290 20 0 HIADLP CCCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535851625 933436037 /nfs/dbraw/zinc/43/60/37/933436037.db2.gz IWOUGLUZRASAFM-ZEQRLZLVSA-N 2 2 415.622 4.275 20 0 HIADLP CCCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535851625 933436041 /nfs/dbraw/zinc/43/60/41/933436041.db2.gz IWOUGLUZRASAFM-ZEQRLZLVSA-N 2 2 415.622 4.275 20 0 HIADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000562872541 945133614 /nfs/dbraw/zinc/13/36/14/945133614.db2.gz ZEKVQGUHGUFEMW-IEBWSBKVSA-N 2 2 421.614 4.483 20 0 HIADLP COCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000537695302 938356819 /nfs/dbraw/zinc/35/68/19/938356819.db2.gz JNUQDQZYJQJJDW-RPWUZVMVSA-N 2 2 424.585 4.207 20 0 HIADLP COCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000537695302 938356824 /nfs/dbraw/zinc/35/68/24/938356824.db2.gz JNUQDQZYJQJJDW-RPWUZVMVSA-N 2 2 424.585 4.207 20 0 HIADLP COCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC000537695302 938356828 /nfs/dbraw/zinc/35/68/28/938356828.db2.gz JNUQDQZYJQJJDW-RPWUZVMVSA-N 2 2 424.585 4.207 20 0 HIADLP COCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1OC ZINC000537695302 938356833 /nfs/dbraw/zinc/35/68/33/938356833.db2.gz JNUQDQZYJQJJDW-RPWUZVMVSA-N 2 2 424.585 4.207 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000537945257 938427777 /nfs/dbraw/zinc/42/77/77/938427777.db2.gz HDQGHCLXDNFNQG-MAODMQOUSA-N 2 2 403.364 4.125 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CC[N@H+]1Cc1ccccc1 ZINC000537945257 938427781 /nfs/dbraw/zinc/42/77/81/938427781.db2.gz HDQGHCLXDNFNQG-MAODMQOUSA-N 2 2 403.364 4.125 20 0 HIADLP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000538206207 938554389 /nfs/dbraw/zinc/55/43/89/938554389.db2.gz HYLVYIYDMCVKAH-QFIPXVFZSA-N 2 2 416.949 4.055 20 0 HIADLP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1c(F)cccc1Cl ZINC000538277976 938582019 /nfs/dbraw/zinc/58/20/19/938582019.db2.gz GVQXVWFLLWBIDZ-MRXNPFEDSA-N 2 2 403.929 4.042 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538325874 938593468 /nfs/dbraw/zinc/59/34/68/938593468.db2.gz HTOVPDAEBMYVRL-DHIUTWEWSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538325874 938593471 /nfs/dbraw/zinc/59/34/71/938593471.db2.gz HTOVPDAEBMYVRL-DHIUTWEWSA-N 2 2 400.611 4.358 20 0 HIADLP COc1c(Cl)cccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538347281 938600039 /nfs/dbraw/zinc/60/00/39/938600039.db2.gz LMEJRWMMVIODDW-WOJBJXKFSA-N 2 2 423.001 4.150 20 0 HIADLP COc1c(Cl)cccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538347281 938600041 /nfs/dbraw/zinc/60/00/41/938600041.db2.gz LMEJRWMMVIODDW-WOJBJXKFSA-N 2 2 423.001 4.150 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3c[nH]nc3-c3cccc(Cl)c3)[nH+]c2)CC1 ZINC000538427403 938617985 /nfs/dbraw/zinc/61/79/85/938617985.db2.gz QZWKNMIAZLWDRU-UHFFFAOYSA-N 2 2 410.953 4.268 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4c3c(Br)ccc4F)[nH+]c2)C1 ZINC000538556391 938648582 /nfs/dbraw/zinc/64/85/82/938648582.db2.gz AOWUHZNOJVBBLE-KDOFPFPSSA-N 2 2 419.342 4.223 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccsc2)s1 ZINC000538723632 938691846 /nfs/dbraw/zinc/69/18/46/938691846.db2.gz QFKOPSMDNKOMDZ-UHFFFAOYSA-N 3 2 418.676 4.500 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccsc2)s1 ZINC000538723632 938691847 /nfs/dbraw/zinc/69/18/47/938691847.db2.gz QFKOPSMDNKOMDZ-UHFFFAOYSA-N 3 2 418.676 4.500 20 0 HIADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000538731794 938695483 /nfs/dbraw/zinc/69/54/83/938695483.db2.gz OKNMWDDZLMTGOF-UHFFFAOYSA-N 2 2 422.598 4.073 20 0 HIADLP COCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000538732937 938695625 /nfs/dbraw/zinc/69/56/25/938695625.db2.gz DJCZLFQNUBXXTF-OFNKIYASSA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000538732937 938695628 /nfs/dbraw/zinc/69/56/28/938695628.db2.gz DJCZLFQNUBXXTF-OFNKIYASSA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000538732937 938695631 /nfs/dbraw/zinc/69/56/31/938695631.db2.gz DJCZLFQNUBXXTF-OFNKIYASSA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000538732937 938695634 /nfs/dbraw/zinc/69/56/34/938695634.db2.gz DJCZLFQNUBXXTF-OFNKIYASSA-N 2 2 412.574 4.205 20 0 HIADLP c1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799527 938715796 /nfs/dbraw/zinc/71/57/96/938715796.db2.gz JTWVTYQPKJPYGD-BWKNWUBXSA-N 2 2 413.569 4.383 20 0 HIADLP c1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799527 938715798 /nfs/dbraw/zinc/71/57/98/938715798.db2.gz JTWVTYQPKJPYGD-BWKNWUBXSA-N 2 2 413.569 4.383 20 0 HIADLP c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799527 938715800 /nfs/dbraw/zinc/71/58/00/938715800.db2.gz JTWVTYQPKJPYGD-BWKNWUBXSA-N 2 2 413.569 4.383 20 0 HIADLP c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799527 938715801 /nfs/dbraw/zinc/71/58/01/938715801.db2.gz JTWVTYQPKJPYGD-BWKNWUBXSA-N 2 2 413.569 4.383 20 0 HIADLP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)c(F)c1 ZINC000539307812 938838292 /nfs/dbraw/zinc/83/82/92/938838292.db2.gz ALBJNBCGODYWGQ-MFEFFIJZSA-N 2 2 404.501 4.051 20 0 HIADLP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)c(F)c1 ZINC000539307812 938838293 /nfs/dbraw/zinc/83/82/93/938838293.db2.gz ALBJNBCGODYWGQ-MFEFFIJZSA-N 2 2 404.501 4.051 20 0 HIADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539822784 938944918 /nfs/dbraw/zinc/94/49/18/938944918.db2.gz MNGRYRKYQVFSRH-AVRDEDQJSA-N 2 2 406.014 4.119 20 0 HIADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539822784 938944923 /nfs/dbraw/zinc/94/49/23/938944923.db2.gz MNGRYRKYQVFSRH-AVRDEDQJSA-N 2 2 406.014 4.119 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1OC(F)(F)F ZINC000539823088 938946653 /nfs/dbraw/zinc/94/66/53/938946653.db2.gz PQOQNSIXLLGSOD-UHFFFAOYSA-N 3 2 413.528 4.213 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1OC(F)(F)F ZINC000539823088 938946658 /nfs/dbraw/zinc/94/66/58/938946658.db2.gz PQOQNSIXLLGSOD-UHFFFAOYSA-N 3 2 413.528 4.213 20 0 HIADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C[C@H](C)O1 ZINC000540245187 939163772 /nfs/dbraw/zinc/16/37/72/939163772.db2.gz NDRUHGOJQJCIGG-IYBDPMFKSA-N 2 2 401.378 4.084 20 0 HIADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C[C@H](C)O1 ZINC000540245187 939163776 /nfs/dbraw/zinc/16/37/76/939163776.db2.gz NDRUHGOJQJCIGG-IYBDPMFKSA-N 2 2 401.378 4.084 20 0 HIADLP CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@H+](C)CCCn3cc[nH+]c3)ccc21 ZINC000540321505 939193714 /nfs/dbraw/zinc/19/37/14/939193714.db2.gz UVQHVIXBRQNVCQ-GOSISDBHSA-N 2 2 403.530 4.360 20 0 HIADLP CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@@H+](C)CCCn3cc[nH+]c3)ccc21 ZINC000540321505 939193716 /nfs/dbraw/zinc/19/37/16/939193716.db2.gz UVQHVIXBRQNVCQ-GOSISDBHSA-N 2 2 403.530 4.360 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000540756032 939361208 /nfs/dbraw/zinc/36/12/08/939361208.db2.gz AWDIEGDFSKVYFG-BEFAXECRSA-N 2 2 408.575 4.222 20 0 HIADLP CSC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000540991710 939426722 /nfs/dbraw/zinc/42/67/22/939426722.db2.gz KELYQTULOFWOTA-NHCUHLMSSA-N 2 2 424.532 4.336 20 0 HIADLP CSC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000540991710 939426723 /nfs/dbraw/zinc/42/67/23/939426723.db2.gz KELYQTULOFWOTA-NHCUHLMSSA-N 2 2 424.532 4.336 20 0 HIADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000540991908 939427062 /nfs/dbraw/zinc/42/70/62/939427062.db2.gz OPWMPZPWUVAONX-OZXSUGGESA-N 2 2 413.521 4.274 20 0 HIADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000540991908 939427064 /nfs/dbraw/zinc/42/70/64/939427064.db2.gz OPWMPZPWUVAONX-OZXSUGGESA-N 2 2 413.521 4.274 20 0 HIADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541180878 939484629 /nfs/dbraw/zinc/48/46/29/939484629.db2.gz QJVAYDGXBDMQJR-UHFFFAOYSA-N 2 2 411.594 4.127 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[NH+]2CCCC2)cc1 ZINC000541185076 939484792 /nfs/dbraw/zinc/48/47/92/939484792.db2.gz SXJSEBDSBVJLPS-XMMPIXPASA-N 2 2 423.605 4.230 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1C ZINC000541244908 939487310 /nfs/dbraw/zinc/48/73/10/939487310.db2.gz CPENPTOJRKYQMZ-SFTDATJTSA-N 2 2 406.014 4.366 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1C ZINC000541244908 939487311 /nfs/dbraw/zinc/48/73/11/939487311.db2.gz CPENPTOJRKYQMZ-SFTDATJTSA-N 2 2 406.014 4.366 20 0 HIADLP CCOc1cc(Cl)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541250868 939487669 /nfs/dbraw/zinc/48/76/69/939487669.db2.gz CTVFZTDQTWVONF-SFTDATJTSA-N 2 2 422.013 4.148 20 0 HIADLP CCOc1cc(Cl)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541250868 939487670 /nfs/dbraw/zinc/48/76/70/939487670.db2.gz CTVFZTDQTWVONF-SFTDATJTSA-N 2 2 422.013 4.148 20 0 HIADLP C[NH+](C)CCN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCCC1 ZINC000541423238 939512286 /nfs/dbraw/zinc/51/22/86/939512286.db2.gz QIXAVRYGIGTIRL-HXUWFJFHSA-N 2 2 400.611 4.216 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000541744103 939618854 /nfs/dbraw/zinc/61/88/54/939618854.db2.gz BXEBEJKYGYGINM-DNQXCXABSA-N 2 2 423.582 4.115 20 0 HIADLP CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178089 939746322 /nfs/dbraw/zinc/74/63/22/939746322.db2.gz CDWRBHUIQJWDDJ-PKTZIBPZSA-N 2 2 415.622 4.273 20 0 HIADLP CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178089 939746327 /nfs/dbraw/zinc/74/63/27/939746327.db2.gz CDWRBHUIQJWDDJ-PKTZIBPZSA-N 2 2 415.622 4.273 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](c3ccc(F)cc3)c3ccccn3)[nH+]c2)CC1 ZINC000542497444 939833025 /nfs/dbraw/zinc/83/30/25/939833025.db2.gz BFFYACAGSZTHEC-DEOSSOPVSA-N 2 2 405.521 4.348 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000542664432 939852645 /nfs/dbraw/zinc/85/26/45/939852645.db2.gz KQIQDZMZIZLKOU-JTHBVZDNSA-N 2 2 409.555 4.055 20 0 HIADLP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393369 940050336 /nfs/dbraw/zinc/05/03/36/940050336.db2.gz BXQUABDTTSRGDJ-DFBJGRDBSA-N 2 2 418.589 4.012 20 0 HIADLP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393369 940050339 /nfs/dbraw/zinc/05/03/39/940050339.db2.gz BXQUABDTTSRGDJ-DFBJGRDBSA-N 2 2 418.589 4.012 20 0 HIADLP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393369 940050343 /nfs/dbraw/zinc/05/03/43/940050343.db2.gz BXQUABDTTSRGDJ-DFBJGRDBSA-N 2 2 418.589 4.012 20 0 HIADLP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393369 940050348 /nfs/dbraw/zinc/05/03/48/940050348.db2.gz BXQUABDTTSRGDJ-DFBJGRDBSA-N 2 2 418.589 4.012 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000543395055 940050592 /nfs/dbraw/zinc/05/05/92/940050592.db2.gz VTKZFRQXXVVCGX-OAQYLSRUSA-N 2 2 400.486 4.353 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000543395055 940050594 /nfs/dbraw/zinc/05/05/94/940050594.db2.gz VTKZFRQXXVVCGX-OAQYLSRUSA-N 2 2 400.486 4.353 20 0 HIADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2ccccc2)s1 ZINC000543600878 940126987 /nfs/dbraw/zinc/12/69/87/940126987.db2.gz RWHVOFRCPZKWDY-LJQANCHMSA-N 2 2 420.582 4.200 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543987778 940284195 /nfs/dbraw/zinc/28/41/95/940284195.db2.gz INFUPFXDJIZPDD-UYAOXDASSA-N 2 2 400.592 4.189 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543990248 940286472 /nfs/dbraw/zinc/28/64/72/940286472.db2.gz XRSUQNWITIADRV-MRXNPFEDSA-N 2 2 404.942 4.065 20 0 HIADLP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544224207 940359816 /nfs/dbraw/zinc/35/98/16/940359816.db2.gz ASMCKAPEVDXGQI-PKTZIBPZSA-N 2 2 420.601 4.274 20 0 HIADLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544224207 940359818 /nfs/dbraw/zinc/35/98/18/940359818.db2.gz ASMCKAPEVDXGQI-PKTZIBPZSA-N 2 2 420.601 4.274 20 0 HIADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000544287521 940380357 /nfs/dbraw/zinc/38/03/57/940380357.db2.gz WKIIQAFJBMUQGV-OIBXWCBGSA-N 2 2 420.601 4.272 20 0 HIADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000544287521 940380361 /nfs/dbraw/zinc/38/03/61/940380361.db2.gz WKIIQAFJBMUQGV-OIBXWCBGSA-N 2 2 420.601 4.272 20 0 HIADLP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3cccnc3)c3ccc(F)cc3F)cc2)CC1 ZINC000544355727 940399254 /nfs/dbraw/zinc/39/92/54/940399254.db2.gz LDKJBIGNPZJXRN-VWLOTQADSA-N 2 2 423.507 4.196 20 0 HIADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000544382052 940407313 /nfs/dbraw/zinc/40/73/13/940407313.db2.gz NEQFOGWTEUHNMR-KNQAVFIVSA-N 2 2 407.514 4.144 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420683 940420440 /nfs/dbraw/zinc/42/04/40/940420440.db2.gz AXNZXNSFTPUBBF-FPOVZHCZSA-N 2 2 419.569 4.099 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420683 940420443 /nfs/dbraw/zinc/42/04/43/940420443.db2.gz AXNZXNSFTPUBBF-FPOVZHCZSA-N 2 2 419.569 4.099 20 0 HIADLP C[NH+](C)CCOc1ccc(-c2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)cc1 ZINC000544972487 940529889 /nfs/dbraw/zinc/52/98/89/940529889.db2.gz NYBINYDKOAQQPF-LFYBBSHMSA-N 2 2 401.470 4.033 20 0 HIADLP CC[NH+](CC)CCOc1ccccc1-c1noc(Cc2cn3cccc(C)c3[nH+]2)n1 ZINC000544995300 940531813 /nfs/dbraw/zinc/53/18/13/940531813.db2.gz HWKLUNOJJZDILU-UHFFFAOYSA-N 2 2 405.502 4.004 20 0 HIADLP COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3C)CCN2C2CC2)c1 ZINC000549117557 941161587 /nfs/dbraw/zinc/16/15/87/941161587.db2.gz MZNMRXZAFGTBMJ-RPBOFIJWSA-N 2 2 402.542 4.257 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000549806876 941207953 /nfs/dbraw/zinc/20/79/53/941207953.db2.gz XZKAALFEKMOUHH-VIZSFHNOSA-N 2 2 401.570 4.076 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000549806876 941207954 /nfs/dbraw/zinc/20/79/54/941207954.db2.gz XZKAALFEKMOUHH-VIZSFHNOSA-N 2 2 401.570 4.076 20 0 HIADLP Fc1cc([C@@H]2OCC[C@H]2[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000551440371 941479545 /nfs/dbraw/zinc/47/95/45/941479545.db2.gz BLRUZUZNJRFPTD-PMOQBDJRSA-N 2 2 418.940 4.190 20 0 HIADLP Fc1cc([C@@H]2OCC[C@H]2[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000551440371 941479549 /nfs/dbraw/zinc/47/95/49/941479549.db2.gz BLRUZUZNJRFPTD-PMOQBDJRSA-N 2 2 418.940 4.190 20 0 HIADLP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1C ZINC000552338685 941638278 /nfs/dbraw/zinc/63/82/78/941638278.db2.gz MTVUEQLHCITRRM-VGPBXHGJSA-N 2 2 419.613 4.260 20 0 HIADLP Cc1ccc([C@H](Cc2ccccc2)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1C ZINC000552338685 941638281 /nfs/dbraw/zinc/63/82/81/941638281.db2.gz MTVUEQLHCITRRM-VGPBXHGJSA-N 2 2 419.613 4.260 20 0 HIADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000553238319 941854883 /nfs/dbraw/zinc/85/48/83/941854883.db2.gz AZALMGRKOBVVLI-QFIPXVFZSA-N 2 2 411.933 4.432 20 0 HIADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000553359117 941872567 /nfs/dbraw/zinc/87/25/67/941872567.db2.gz UXDPFMRLPMDGOF-PXNSSMCTSA-N 2 2 421.614 4.483 20 0 HIADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553497729 941896240 /nfs/dbraw/zinc/89/62/40/941896240.db2.gz HGLFZSONWPWYKO-LADGPHEKSA-N 2 2 416.569 4.302 20 0 HIADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553497729 941896243 /nfs/dbraw/zinc/89/62/43/941896243.db2.gz HGLFZSONWPWYKO-LADGPHEKSA-N 2 2 416.569 4.302 20 0 HIADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554310183 942099048 /nfs/dbraw/zinc/09/90/48/942099048.db2.gz BYQBIUUWSHSONY-XMSQKQJNSA-N 2 2 411.615 4.300 20 0 HIADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000554310183 942099054 /nfs/dbraw/zinc/09/90/54/942099054.db2.gz BYQBIUUWSHSONY-XMSQKQJNSA-N 2 2 411.615 4.300 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000554841681 942280923 /nfs/dbraw/zinc/28/09/23/942280923.db2.gz MSAZVLVJORQKGS-HXUWFJFHSA-N 2 2 403.929 4.308 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000554841681 942280927 /nfs/dbraw/zinc/28/09/27/942280927.db2.gz MSAZVLVJORQKGS-HXUWFJFHSA-N 2 2 403.929 4.308 20 0 HIADLP COCCCn1nccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000554918990 942319480 /nfs/dbraw/zinc/31/94/80/942319480.db2.gz JGVVVQQXGUFHEU-WIYYLYMNSA-N 2 2 424.511 4.111 20 0 HIADLP COCCCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000554918990 942319487 /nfs/dbraw/zinc/31/94/87/942319487.db2.gz JGVVVQQXGUFHEU-WIYYLYMNSA-N 2 2 424.511 4.111 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000557247381 943060979 /nfs/dbraw/zinc/06/09/79/943060979.db2.gz PJEVLXHLFFWMNJ-FOIQADDNSA-N 2 2 422.411 4.329 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000558738711 943635670 /nfs/dbraw/zinc/63/56/70/943635670.db2.gz XVERQAGREYWMEF-HXUWFJFHSA-N 2 2 417.500 4.117 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000558738711 943635673 /nfs/dbraw/zinc/63/56/73/943635673.db2.gz XVERQAGREYWMEF-HXUWFJFHSA-N 2 2 417.500 4.117 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C ZINC000558958215 943771278 /nfs/dbraw/zinc/77/12/78/943771278.db2.gz SRZOYZUWINPIMH-JOCHJYFZSA-N 2 2 424.589 4.149 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1C ZINC000558958215 943771280 /nfs/dbraw/zinc/77/12/80/943771280.db2.gz SRZOYZUWINPIMH-JOCHJYFZSA-N 2 2 424.589 4.149 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000559068387 943823494 /nfs/dbraw/zinc/82/34/94/943823494.db2.gz QSPNKDKNBYZDEX-CVDCTZTESA-N 2 2 403.574 4.369 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000559068387 943823496 /nfs/dbraw/zinc/82/34/96/943823496.db2.gz QSPNKDKNBYZDEX-CVDCTZTESA-N 2 2 403.574 4.369 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000559068387 943823499 /nfs/dbraw/zinc/82/34/99/943823499.db2.gz QSPNKDKNBYZDEX-CVDCTZTESA-N 2 2 403.574 4.369 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000559068387 943823504 /nfs/dbraw/zinc/82/35/04/943823504.db2.gz QSPNKDKNBYZDEX-CVDCTZTESA-N 2 2 403.574 4.369 20 0 HIADLP c1csc([C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)c2nnc[nH]2)c1 ZINC000559766573 944046798 /nfs/dbraw/zinc/04/67/98/944046798.db2.gz GDIJIXOJJJUZCY-JOCHJYFZSA-N 2 2 409.603 4.280 20 0 HIADLP Cc1cc(Br)cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1OC(F)F ZINC000561975272 944882951 /nfs/dbraw/zinc/88/29/51/944882951.db2.gz BMTAVVWOEBYRQU-LBPRGKRZSA-N 2 2 400.267 4.082 20 0 HIADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1OC(F)F ZINC000561975272 944882956 /nfs/dbraw/zinc/88/29/56/944882956.db2.gz BMTAVVWOEBYRQU-LBPRGKRZSA-N 2 2 400.267 4.082 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(F)c2ccccc21 ZINC000564151427 945401644 /nfs/dbraw/zinc/40/16/44/945401644.db2.gz GLQSHAKWODKIFT-OAHLLOKOSA-N 2 2 412.534 4.321 20 0 HIADLP CN1CC[NH+](CC2CC[NH+](Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000565977578 945955306 /nfs/dbraw/zinc/95/53/06/945955306.db2.gz KDISDXZDNWNBEL-UHFFFAOYSA-N 2 2 423.445 4.184 20 0 HIADLP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000567141726 946250886 /nfs/dbraw/zinc/25/08/86/946250886.db2.gz RCLMWFGWTRXBQN-QHCPKHFHSA-N 2 2 405.542 4.046 20 0 HIADLP c1nnc([C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)c2ccccc2)[nH]1 ZINC000570196696 947135323 /nfs/dbraw/zinc/13/53/23/947135323.db2.gz CMGRLELLHWJRFK-XMMPIXPASA-N 2 2 403.574 4.219 20 0 HIADLP CC(C)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000571542959 947694738 /nfs/dbraw/zinc/69/47/38/947694738.db2.gz ZLLUAXQDOCRHCT-KBRMVUAJSA-N 2 2 406.014 4.491 20 0 HIADLP CC(C)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000571542959 947694768 /nfs/dbraw/zinc/69/47/68/947694768.db2.gz ZLLUAXQDOCRHCT-KBRMVUAJSA-N 2 2 406.014 4.491 20 0 HIADLP c1ccc(CCOC2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000571903413 947808893 /nfs/dbraw/zinc/80/88/93/947808893.db2.gz SYMFWXUMKYKLST-SANMLTNESA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCOC2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000571903413 947808894 /nfs/dbraw/zinc/80/88/94/947808894.db2.gz SYMFWXUMKYKLST-SANMLTNESA-N 2 2 408.586 4.001 20 0 HIADLP C[C@@H](C[NH+](C)C[C@@H]1OCCc2ccccc21)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000572523730 947929114 /nfs/dbraw/zinc/92/91/14/947929114.db2.gz OCJZCTJGSGQNBF-IDYJPYLDSA-N 2 2 408.586 4.114 20 0 HIADLP C[C@@H](C[NH+](C)C[C@@H]1OCCc2ccccc21)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000572523730 947929132 /nfs/dbraw/zinc/92/91/32/947929132.db2.gz OCJZCTJGSGQNBF-IDYJPYLDSA-N 2 2 408.586 4.114 20 0 HIADLP C[C@H](C[NH+](C)C[C@H]1OCCc2ccccc21)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000572523730 947929162 /nfs/dbraw/zinc/92/91/62/947929162.db2.gz OCJZCTJGSGQNBF-IDYJPYLDSA-N 2 2 408.586 4.114 20 0 HIADLP C[C@H](C[NH+](C)C[C@H]1OCCc2ccccc21)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000572523730 947929185 /nfs/dbraw/zinc/92/91/85/947929185.db2.gz OCJZCTJGSGQNBF-IDYJPYLDSA-N 2 2 408.586 4.114 20 0 HIADLP CN(C(=O)Nc1ccccc1OC(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000573453573 948205531 /nfs/dbraw/zinc/20/55/31/948205531.db2.gz XPSYXKZSZJNZJR-RTBURBONSA-N 2 2 424.536 4.089 20 0 HIADLP CN(C(=O)Nc1ccccc1OC(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000573453573 948205547 /nfs/dbraw/zinc/20/55/47/948205547.db2.gz XPSYXKZSZJNZJR-RTBURBONSA-N 2 2 424.536 4.089 20 0 HIADLP CN(C(=O)Nc1ccccc1OC(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000573453571 948205763 /nfs/dbraw/zinc/20/57/63/948205763.db2.gz XPSYXKZSZJNZJR-OALUTQOASA-N 2 2 424.536 4.089 20 0 HIADLP CN(C(=O)Nc1ccccc1OC(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000573453571 948205777 /nfs/dbraw/zinc/20/57/77/948205777.db2.gz XPSYXKZSZJNZJR-OALUTQOASA-N 2 2 424.536 4.089 20 0 HIADLP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000574553052 948469920 /nfs/dbraw/zinc/46/99/20/948469920.db2.gz YMMBLWDNPPVBSL-RUZDIDTESA-N 3 2 401.639 4.112 20 0 HIADLP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000574553052 948469925 /nfs/dbraw/zinc/46/99/25/948469925.db2.gz YMMBLWDNPPVBSL-RUZDIDTESA-N 3 2 401.639 4.112 20 0 HIADLP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000575825415 948726410 /nfs/dbraw/zinc/72/64/10/948726410.db2.gz KIKMJRWHDZEZGP-FQEVSTJZSA-N 2 2 424.589 4.209 20 0 HIADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)cc(Cl)c1C)CC2 ZINC001164714906 720123459 /nfs/dbraw/zinc/12/34/59/720123459.db2.gz DYRFPRLWDKXIRB-HXUWFJFHSA-N 2 2 414.981 4.254 20 0 HIADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)cc(Cl)c1C)CC2 ZINC001164714906 720123468 /nfs/dbraw/zinc/12/34/68/720123468.db2.gz DYRFPRLWDKXIRB-HXUWFJFHSA-N 2 2 414.981 4.254 20 0 HIADLP CC(C)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c1 ZINC001164757448 720892986 /nfs/dbraw/zinc/89/29/86/720892986.db2.gz UTGUZOYVDNPHFY-AOYPEHQESA-N 2 2 420.601 4.355 20 0 HIADLP CC(C)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c1 ZINC001164757448 720892989 /nfs/dbraw/zinc/89/29/89/720892989.db2.gz UTGUZOYVDNPHFY-AOYPEHQESA-N 2 2 420.601 4.355 20 0 HIADLP CCOC(=O)Cc1cc[nH+]c(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c1 ZINC001164759415 721046768 /nfs/dbraw/zinc/04/67/68/721046768.db2.gz LPQPTSINOKBTHU-UHFFFAOYSA-N 2 2 421.585 4.378 20 0 HIADLP Cc1cccc2c(C)cc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)[nH+]c12 ZINC001164961158 722053172 /nfs/dbraw/zinc/05/31/72/722053172.db2.gz SSGHOIBJWSDZKN-UHFFFAOYSA-N 2 2 416.569 4.366 20 0 HIADLP Cc1cccc2c(C)cc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)[nH+]c12 ZINC001164961158 722053173 /nfs/dbraw/zinc/05/31/73/722053173.db2.gz SSGHOIBJWSDZKN-UHFFFAOYSA-N 2 2 416.569 4.366 20 0 HIADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 ZINC000436255137 861566512 /nfs/dbraw/zinc/56/65/12/861566512.db2.gz WBINXBOHZCXBNE-KMFTYDHNSA-N 2 2 419.569 4.313 20 0 HIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000023479875 846705147 /nfs/dbraw/zinc/70/51/47/846705147.db2.gz AGWMMNLJDBVWMM-QHCPKHFHSA-N 2 2 404.558 4.181 20 0 HIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000023479875 846705157 /nfs/dbraw/zinc/70/51/57/846705157.db2.gz AGWMMNLJDBVWMM-QHCPKHFHSA-N 2 2 404.558 4.181 20 0 HIADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229117 848305863 /nfs/dbraw/zinc/30/58/63/848305863.db2.gz PAYVBLSKPZLMES-CQSZACIVSA-N 2 2 412.887 4.427 20 0 HIADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229117 848305869 /nfs/dbraw/zinc/30/58/69/848305869.db2.gz PAYVBLSKPZLMES-CQSZACIVSA-N 2 2 412.887 4.427 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cn1 ZINC000048782552 849267937 /nfs/dbraw/zinc/26/79/37/849267937.db2.gz LPVHLKPLICCDPI-UHFFFAOYSA-N 2 2 412.419 4.070 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(C)c(OCc3ccccn3)c(C)c2)cn1 ZINC000048782539 849268527 /nfs/dbraw/zinc/26/85/27/849268527.db2.gz ZVLYHRBXEOAZNE-UHFFFAOYSA-N 2 2 413.525 4.456 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)cn1 ZINC000048782326 849268584 /nfs/dbraw/zinc/26/85/84/849268584.db2.gz HZXXPDPESZCKKD-UHFFFAOYSA-N 2 2 410.371 4.068 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000053144384 849670847 /nfs/dbraw/zinc/67/08/47/849670847.db2.gz FNTASCHBRRSBTR-HXUWFJFHSA-N 2 2 402.542 4.093 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000053144384 849670854 /nfs/dbraw/zinc/67/08/54/849670854.db2.gz FNTASCHBRRSBTR-HXUWFJFHSA-N 2 2 402.542 4.093 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000053187675 849677197 /nfs/dbraw/zinc/67/71/97/849677197.db2.gz ZSEXXFXYQHBEPZ-HXUWFJFHSA-N 2 2 402.542 4.236 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000053187675 849677206 /nfs/dbraw/zinc/67/72/06/849677206.db2.gz ZSEXXFXYQHBEPZ-HXUWFJFHSA-N 2 2 402.542 4.236 20 0 HIADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000057359132 850615189 /nfs/dbraw/zinc/61/51/89/850615189.db2.gz HYPJFOZATDZUOJ-UHFFFAOYSA-N 2 2 404.514 4.200 20 0 HIADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000058959969 850969276 /nfs/dbraw/zinc/96/92/76/850969276.db2.gz CGBDZMXZXRPSQZ-RPBOFIJWSA-N 2 2 421.585 4.116 20 0 HIADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000058959969 850969285 /nfs/dbraw/zinc/96/92/85/850969285.db2.gz CGBDZMXZXRPSQZ-RPBOFIJWSA-N 2 2 421.585 4.116 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000071961458 852447418 /nfs/dbraw/zinc/44/74/18/852447418.db2.gz NLBGQNXYFTVXTQ-OYRHEFFESA-N 2 2 416.569 4.339 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000071961458 852447420 /nfs/dbraw/zinc/44/74/20/852447420.db2.gz NLBGQNXYFTVXTQ-OYRHEFFESA-N 2 2 416.569 4.339 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000097604712 852643435 /nfs/dbraw/zinc/64/34/35/852643435.db2.gz YTENFLPUFZLTQW-BXUZGUMPSA-N 2 2 420.189 4.183 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000097604712 852643440 /nfs/dbraw/zinc/64/34/40/852643440.db2.gz YTENFLPUFZLTQW-BXUZGUMPSA-N 2 2 420.189 4.183 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000106112625 852755308 /nfs/dbraw/zinc/75/53/08/852755308.db2.gz BTPGBYNSZCGHRE-QFIPXVFZSA-N 2 2 410.949 4.398 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1)C(C)C ZINC000110173193 853068211 /nfs/dbraw/zinc/06/82/11/853068211.db2.gz YDTFHAOQAJRNJA-UHFFFAOYSA-N 2 2 423.605 4.101 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1)C(C)C ZINC000110173193 853068215 /nfs/dbraw/zinc/06/82/15/853068215.db2.gz YDTFHAOQAJRNJA-UHFFFAOYSA-N 2 2 423.605 4.101 20 0 HIADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000110183170 853069754 /nfs/dbraw/zinc/06/97/54/853069754.db2.gz MHBWZOUDNLIMOG-INIZCTEOSA-N 2 2 419.541 4.145 20 0 HIADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000110183170 853069760 /nfs/dbraw/zinc/06/97/60/853069760.db2.gz MHBWZOUDNLIMOG-INIZCTEOSA-N 2 2 419.541 4.145 20 0 HIADLP Clc1ccc(Cc2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cs2)cc1 ZINC000110235498 853078239 /nfs/dbraw/zinc/07/82/39/853078239.db2.gz SUPNRVAGQSSLNU-UHFFFAOYSA-N 2 2 420.022 4.322 20 0 HIADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000110790734 853152887 /nfs/dbraw/zinc/15/28/87/853152887.db2.gz VVRPPGDCLIZLCV-LJQANCHMSA-N 2 2 407.558 4.060 20 0 HIADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000110790734 853152889 /nfs/dbraw/zinc/15/28/89/853152889.db2.gz VVRPPGDCLIZLCV-LJQANCHMSA-N 2 2 407.558 4.060 20 0 HIADLP Cc1ccc(N2CCC(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3C)CC2)[nH+]c1 ZINC000195744391 853791201 /nfs/dbraw/zinc/79/12/01/853791201.db2.gz PBKLZEHTCWBUOD-UHFFFAOYSA-N 2 2 424.614 4.102 20 0 HIADLP c1cn(-c2ccc(C[NH2+]Cc3cn(Cc4ccccc4)nc3-c3cccnc3)cc2)c[nH+]1 ZINC000236581581 853899442 /nfs/dbraw/zinc/89/94/42/853899442.db2.gz WWZLWDPLRMNKNE-UHFFFAOYSA-N 2 2 420.520 4.469 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000236851368 853929094 /nfs/dbraw/zinc/92/90/94/853929094.db2.gz NMGKGNUZYXUUOH-LJQANCHMSA-N 3 2 407.537 4.004 20 0 HIADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000237524905 854049609 /nfs/dbraw/zinc/04/96/09/854049609.db2.gz AGSYDBMZIZKKKN-MRXNPFEDSA-N 2 2 416.447 4.457 20 0 HIADLP COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)n2)c1 ZINC000237579978 854058357 /nfs/dbraw/zinc/05/83/57/854058357.db2.gz MMPURLZBQHICPQ-SFHVURJKSA-N 2 2 422.529 4.071 20 0 HIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000237661773 854071115 /nfs/dbraw/zinc/07/11/15/854071115.db2.gz ROKAMUZODIPVEQ-UHFFFAOYSA-N 2 2 424.976 4.015 20 0 HIADLP Cc1ccc(-c2ccc(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)o2)cc1 ZINC000237724768 854083898 /nfs/dbraw/zinc/08/38/98/854083898.db2.gz BCZVWOGEMSRTSQ-UHFFFAOYSA-N 2 2 406.526 4.256 20 0 HIADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000303400170 854909212 /nfs/dbraw/zinc/90/92/12/854909212.db2.gz ZVPLGYOPTQVKED-MRXNPFEDSA-N 2 2 412.405 4.321 20 0 HIADLP CCCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303713717 855147203 /nfs/dbraw/zinc/14/72/03/855147203.db2.gz UUWJJSDWKOXNFQ-XMMPIXPASA-N 2 2 402.542 4.389 20 0 HIADLP CCCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303713717 855147211 /nfs/dbraw/zinc/14/72/11/855147211.db2.gz UUWJJSDWKOXNFQ-XMMPIXPASA-N 2 2 402.542 4.389 20 0 HIADLP Cc1c(O)ccc2c(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc12 ZINC000303758530 855178904 /nfs/dbraw/zinc/17/89/04/855178904.db2.gz NTLMNSLFRMFGBJ-LAUBAEHRSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1c(O)ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc12 ZINC000303758530 855178907 /nfs/dbraw/zinc/17/89/07/855178907.db2.gz NTLMNSLFRMFGBJ-LAUBAEHRSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1c(O)ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc12 ZINC000303758530 855178910 /nfs/dbraw/zinc/17/89/10/855178910.db2.gz NTLMNSLFRMFGBJ-LAUBAEHRSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1c(O)ccc2c(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc12 ZINC000303758530 855178913 /nfs/dbraw/zinc/17/89/13/855178913.db2.gz NTLMNSLFRMFGBJ-LAUBAEHRSA-N 2 2 406.526 4.292 20 0 HIADLP COc1ccc2c(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc2c1 ZINC000303768780 855186878 /nfs/dbraw/zinc/18/68/78/855186878.db2.gz QIULBCLMHVIYLU-WIYYLYMNSA-N 2 2 406.526 4.287 20 0 HIADLP COc1ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc2c1 ZINC000303768780 855186881 /nfs/dbraw/zinc/18/68/81/855186881.db2.gz QIULBCLMHVIYLU-WIYYLYMNSA-N 2 2 406.526 4.287 20 0 HIADLP COc1ccc2c(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc2c1 ZINC000303768780 855186885 /nfs/dbraw/zinc/18/68/85/855186885.db2.gz QIULBCLMHVIYLU-WIYYLYMNSA-N 2 2 406.526 4.287 20 0 HIADLP COc1ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc2c1 ZINC000303768780 855186888 /nfs/dbraw/zinc/18/68/88/855186888.db2.gz QIULBCLMHVIYLU-WIYYLYMNSA-N 2 2 406.526 4.287 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1Cl ZINC000410145492 855837836 /nfs/dbraw/zinc/83/78/36/855837836.db2.gz MDFOZALWVASJKF-QFIPXVFZSA-N 2 2 410.949 4.398 20 0 HIADLP COCC[N@H+](Cc1ccc(Br)s1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000426375691 856264340 /nfs/dbraw/zinc/26/43/40/856264340.db2.gz GLMZTOWSXCFOBF-UHFFFAOYSA-N 2 2 421.364 4.048 20 0 HIADLP COCC[N@@H+](Cc1ccc(Br)s1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000426375691 856264351 /nfs/dbraw/zinc/26/43/51/856264351.db2.gz GLMZTOWSXCFOBF-UHFFFAOYSA-N 2 2 421.364 4.048 20 0 HIADLP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427870329 856988643 /nfs/dbraw/zinc/98/86/43/856988643.db2.gz FDCFAXZCMGVBDH-KSSFIOAISA-N 2 2 400.320 4.171 20 0 HIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ncc(Br)cc1F ZINC000427872782 856989076 /nfs/dbraw/zinc/98/90/76/856989076.db2.gz JVQKATXOUGFWFJ-CYBMUJFWSA-N 2 2 422.346 4.082 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000428260257 857131138 /nfs/dbraw/zinc/13/11/38/857131138.db2.gz MMGKXIZGQDTESQ-KNQAVFIVSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000428260257 857131141 /nfs/dbraw/zinc/13/11/41/857131141.db2.gz MMGKXIZGQDTESQ-KNQAVFIVSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2)cc1 ZINC000428260257 857131146 /nfs/dbraw/zinc/13/11/46/857131146.db2.gz MMGKXIZGQDTESQ-KNQAVFIVSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000428260257 857131153 /nfs/dbraw/zinc/13/11/53/857131153.db2.gz MMGKXIZGQDTESQ-KNQAVFIVSA-N 2 2 418.507 4.399 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000428566885 857267742 /nfs/dbraw/zinc/26/77/42/857267742.db2.gz NRGZVTDWIBZDOQ-NOTZXAQLSA-N 2 2 423.605 4.063 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000428566885 857267749 /nfs/dbraw/zinc/26/77/49/857267749.db2.gz NRGZVTDWIBZDOQ-NOTZXAQLSA-N 2 2 423.605 4.063 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000428765773 857325294 /nfs/dbraw/zinc/32/52/94/857325294.db2.gz DXQGOZWQFFDTLD-BGYRXZFFSA-N 2 2 423.605 4.039 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000428765773 857325297 /nfs/dbraw/zinc/32/52/97/857325297.db2.gz DXQGOZWQFFDTLD-BGYRXZFFSA-N 2 2 423.605 4.039 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000437595947 862910477 /nfs/dbraw/zinc/91/04/77/862910477.db2.gz UDBNDFARKPIFBE-UHFFFAOYSA-N 2 2 410.558 4.357 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000437595947 862910492 /nfs/dbraw/zinc/91/04/92/862910492.db2.gz UDBNDFARKPIFBE-UHFFFAOYSA-N 2 2 410.558 4.357 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1Br)OCCCO2 ZINC000429248413 857573442 /nfs/dbraw/zinc/57/34/42/857573442.db2.gz VTVURGZKIXKDFM-UHFFFAOYSA-N 2 2 422.367 4.282 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1Br)OCCCO2 ZINC000429248413 857573452 /nfs/dbraw/zinc/57/34/52/857573452.db2.gz VTVURGZKIXKDFM-UHFFFAOYSA-N 2 2 422.367 4.282 20 0 HIADLP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429528365 857720485 /nfs/dbraw/zinc/72/04/85/857720485.db2.gz MIAVYGDMKUARRY-DEOSSOPVSA-N 2 2 423.601 4.030 20 0 HIADLP CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429528365 857720491 /nfs/dbraw/zinc/72/04/91/857720491.db2.gz MIAVYGDMKUARRY-DEOSSOPVSA-N 2 2 423.601 4.030 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000430200042 858079027 /nfs/dbraw/zinc/07/90/27/858079027.db2.gz FAENEASNQHWUPE-FQEVSTJZSA-N 2 2 423.395 4.080 20 0 HIADLP COc1ccccc1-c1ncc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000430221008 858086386 /nfs/dbraw/zinc/08/63/86/858086386.db2.gz BFTCZLBCBMXJOM-NRFANRHFSA-N 2 2 402.542 4.106 20 0 HIADLP COc1ccccc1-c1ncc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000430221008 858086396 /nfs/dbraw/zinc/08/63/96/858086396.db2.gz BFTCZLBCBMXJOM-NRFANRHFSA-N 2 2 402.542 4.106 20 0 HIADLP COc1ccccc1-c1ncc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000430221008 858086398 /nfs/dbraw/zinc/08/63/98/858086398.db2.gz BFTCZLBCBMXJOM-NRFANRHFSA-N 2 2 402.542 4.106 20 0 HIADLP COc1ccccc1-c1ncc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000430221008 858086403 /nfs/dbraw/zinc/08/64/03/858086403.db2.gz BFTCZLBCBMXJOM-NRFANRHFSA-N 2 2 402.542 4.106 20 0 HIADLP Cc1ccc([C@@H](OC[C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc2)cc1 ZINC000430813848 858313686 /nfs/dbraw/zinc/31/36/86/858313686.db2.gz GERQKEMARUECAT-RPWUZVMVSA-N 2 2 405.542 4.065 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(-c2ccoc2)n1 ZINC000430917827 858369758 /nfs/dbraw/zinc/36/97/58/858369758.db2.gz KRQJOSVDVRKDEB-UHFFFAOYSA-N 3 2 402.608 4.031 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(-c2ccoc2)n1 ZINC000430917827 858369764 /nfs/dbraw/zinc/36/97/64/858369764.db2.gz KRQJOSVDVRKDEB-UHFFFAOYSA-N 3 2 402.608 4.031 20 0 HIADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000431396478 858593536 /nfs/dbraw/zinc/59/35/36/858593536.db2.gz NDXPKGVBLHTDNF-YJBOKZPZSA-N 2 2 406.393 4.489 20 0 HIADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000431396478 858593539 /nfs/dbraw/zinc/59/35/39/858593539.db2.gz NDXPKGVBLHTDNF-YJBOKZPZSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000431396478 858593542 /nfs/dbraw/zinc/59/35/42/858593542.db2.gz NDXPKGVBLHTDNF-YJBOKZPZSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000431396478 858593545 /nfs/dbraw/zinc/59/35/45/858593545.db2.gz NDXPKGVBLHTDNF-YJBOKZPZSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC(CNC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000431696692 858745099 /nfs/dbraw/zinc/74/50/99/858745099.db2.gz ZMKBRLKJZNMEQY-DEOSSOPVSA-N 2 2 424.633 4.188 20 0 HIADLP CCS[C@@H](C)c1noc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433127581 859532095 /nfs/dbraw/zinc/53/20/95/859532095.db2.gz SUXCNWYLTBYROG-SFHVURJKSA-N 2 2 400.592 4.372 20 0 HIADLP CCS[C@@H](C)c1noc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433127581 859532106 /nfs/dbraw/zinc/53/21/06/859532106.db2.gz SUXCNWYLTBYROG-SFHVURJKSA-N 2 2 400.592 4.372 20 0 HIADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000433610640 859809398 /nfs/dbraw/zinc/80/93/98/859809398.db2.gz TXGJZGMGYMKAKV-VQTJNVASSA-N 2 2 423.001 4.150 20 0 HIADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000433610640 859809399 /nfs/dbraw/zinc/80/93/99/859809399.db2.gz TXGJZGMGYMKAKV-VQTJNVASSA-N 2 2 423.001 4.150 20 0 HIADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434185324 860175263 /nfs/dbraw/zinc/17/52/63/860175263.db2.gz XWOFLQSTTYUZJI-IBGZPJMESA-N 2 2 415.626 4.009 20 0 HIADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000434185324 860175270 /nfs/dbraw/zinc/17/52/70/860175270.db2.gz XWOFLQSTTYUZJI-IBGZPJMESA-N 2 2 415.626 4.009 20 0 HIADLP c1[nH+]c(C2CC[NH+](Cc3nn(-c4ccccc4)c4c3CCC4)CC2)n2c1CCCC2 ZINC000434674043 860454873 /nfs/dbraw/zinc/45/48/73/860454873.db2.gz TXHBOIKPASIRHD-UHFFFAOYSA-N 2 2 401.558 4.273 20 0 HIADLP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccc2ccccc21 ZINC000434680589 860457327 /nfs/dbraw/zinc/45/73/27/860457327.db2.gz JVZCDFJKSKIVLF-LJQANCHMSA-N 2 2 416.569 4.429 20 0 HIADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687775 860461878 /nfs/dbraw/zinc/46/18/78/860461878.db2.gz FYEKPLJXPQZHMJ-MRXNPFEDSA-N 2 2 400.954 4.388 20 0 HIADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000434988688 860588026 /nfs/dbraw/zinc/58/80/26/860588026.db2.gz VPGPJXYUNXOEJV-LJQANCHMSA-N 2 2 407.345 4.260 20 0 HIADLP C[N@@H+]1CCO[C@H]([C@@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC000467753240 881562789 /nfs/dbraw/zinc/56/27/89/881562789.db2.gz OGWPPFLONJZKAO-ZEQRLZLVSA-N 2 2 413.993 4.097 20 0 HIADLP C[N@H+]1CCO[C@H]([C@@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC000467753240 881562815 /nfs/dbraw/zinc/56/28/15/881562815.db2.gz OGWPPFLONJZKAO-ZEQRLZLVSA-N 2 2 413.993 4.097 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000467847165 881693603 /nfs/dbraw/zinc/69/36/03/881693603.db2.gz VOEHFIQUBDRYNA-KRWDZBQOSA-N 2 2 419.363 4.011 20 0 HIADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000439074166 864525300 /nfs/dbraw/zinc/52/53/00/864525300.db2.gz YRNLTXJPWVSDPJ-LJQANCHMSA-N 2 2 407.562 4.226 20 0 HIADLP CC(C)[C@@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000439477979 864845938 /nfs/dbraw/zinc/84/59/38/864845938.db2.gz WNHQPUFXXOYKGV-XMMPIXPASA-N 2 2 402.542 4.441 20 0 HIADLP CC(C)[C@@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000439477979 864845940 /nfs/dbraw/zinc/84/59/40/864845940.db2.gz WNHQPUFXXOYKGV-XMMPIXPASA-N 2 2 402.542 4.441 20 0 HIADLP CO[C@@H](C)c1nc(C[N@@H+]2CCCN(c3cc[nH+]c4cc(F)ccc43)CC2)cs1 ZINC000439597421 864921598 /nfs/dbraw/zinc/92/15/98/864921598.db2.gz UQBXPUCDFNDXIT-HNNXBMFYSA-N 2 2 400.523 4.250 20 0 HIADLP CO[C@@H](C)c1nc(C[N@H+]2CCCN(c3cc[nH+]c4cc(F)ccc43)CC2)cs1 ZINC000439597421 864921609 /nfs/dbraw/zinc/92/16/09/864921609.db2.gz UQBXPUCDFNDXIT-HNNXBMFYSA-N 2 2 400.523 4.250 20 0 HIADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000441310138 866380262 /nfs/dbraw/zinc/38/02/62/866380262.db2.gz JNXCDLNETRZCNI-UHFFFAOYSA-N 2 2 415.335 4.292 20 0 HIADLP CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000441348321 866417667 /nfs/dbraw/zinc/41/76/67/866417667.db2.gz BYKNOEQFLAWNPS-VWLOTQADSA-N 2 2 423.601 4.109 20 0 HIADLP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000441348321 866417671 /nfs/dbraw/zinc/41/76/71/866417671.db2.gz BYKNOEQFLAWNPS-VWLOTQADSA-N 2 2 423.601 4.109 20 0 HIADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441371044 866439687 /nfs/dbraw/zinc/43/96/87/866439687.db2.gz JTSKWKZNAFSMMY-FDDCHVKYSA-N 2 2 404.514 4.061 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N(C)Cc2ccccc2C)c(C)c1 ZINC000441385271 866458179 /nfs/dbraw/zinc/45/81/79/866458179.db2.gz NHYIMFRIFKRLJQ-QPPBQGQZSA-N 2 2 404.558 4.186 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000441394254 866466521 /nfs/dbraw/zinc/46/65/21/866466521.db2.gz KCONQVOOPDISHZ-DMTNHVFBSA-N 2 2 417.597 4.035 20 0 HIADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000441394254 866466532 /nfs/dbraw/zinc/46/65/32/866466532.db2.gz KCONQVOOPDISHZ-DMTNHVFBSA-N 2 2 417.597 4.035 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000441394254 866466542 /nfs/dbraw/zinc/46/65/42/866466542.db2.gz KCONQVOOPDISHZ-DMTNHVFBSA-N 2 2 417.597 4.035 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000441394254 866466548 /nfs/dbraw/zinc/46/65/48/866466548.db2.gz KCONQVOOPDISHZ-DMTNHVFBSA-N 2 2 417.597 4.035 20 0 HIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441904824 866968098 /nfs/dbraw/zinc/96/80/98/866968098.db2.gz ICBVCEXFPGDJHS-KRWDZBQOSA-N 2 2 415.379 4.070 20 0 HIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441904824 866968120 /nfs/dbraw/zinc/96/81/20/866968120.db2.gz ICBVCEXFPGDJHS-KRWDZBQOSA-N 2 2 415.379 4.070 20 0 HIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441904824 866968136 /nfs/dbraw/zinc/96/81/36/866968136.db2.gz ICBVCEXFPGDJHS-KRWDZBQOSA-N 2 2 415.379 4.070 20 0 HIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441904824 866968149 /nfs/dbraw/zinc/96/81/49/866968149.db2.gz ICBVCEXFPGDJHS-KRWDZBQOSA-N 2 2 415.379 4.070 20 0 HIADLP Brc1ccc(-c2nccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000441909690 866975283 /nfs/dbraw/zinc/97/52/83/866975283.db2.gz USEQINBGVKFGLL-KRWDZBQOSA-N 2 2 415.379 4.214 20 0 HIADLP Brc1ccc(-c2nccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000441909690 866975289 /nfs/dbraw/zinc/97/52/89/866975289.db2.gz USEQINBGVKFGLL-KRWDZBQOSA-N 2 2 415.379 4.214 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c(C)c1 ZINC000442185536 867208341 /nfs/dbraw/zinc/20/83/41/867208341.db2.gz FNVJZURPJKTHQF-DEOSSOPVSA-N 2 2 411.509 4.232 20 0 HIADLP COCCC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000442854399 867699142 /nfs/dbraw/zinc/69/91/42/867699142.db2.gz ANGPAAZAHRLELP-RPWUZVMVSA-N 2 2 400.538 4.174 20 0 HIADLP COCCC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000442854399 867699146 /nfs/dbraw/zinc/69/91/46/867699146.db2.gz ANGPAAZAHRLELP-RPWUZVMVSA-N 2 2 400.538 4.174 20 0 HIADLP C[NH+]1CCN(c2ncccc2CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000443675435 868283449 /nfs/dbraw/zinc/28/34/49/868283449.db2.gz PNJMOTOSEQSZSO-UHFFFAOYSA-N 2 2 401.436 4.013 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000443746426 868320945 /nfs/dbraw/zinc/32/09/45/868320945.db2.gz JEEVBYCDCXKHQR-UHFFFAOYSA-N 2 2 407.602 4.116 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000443746426 868320962 /nfs/dbraw/zinc/32/09/62/868320962.db2.gz JEEVBYCDCXKHQR-UHFFFAOYSA-N 2 2 407.602 4.116 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000444208137 868666338 /nfs/dbraw/zinc/66/63/38/868666338.db2.gz XOCCKJGKGQMJMC-JOCHJYFZSA-N 2 2 423.605 4.274 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000444208137 868666343 /nfs/dbraw/zinc/66/63/43/868666343.db2.gz XOCCKJGKGQMJMC-JOCHJYFZSA-N 2 2 423.605 4.274 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccco1 ZINC000444569682 868885746 /nfs/dbraw/zinc/88/57/46/868885746.db2.gz FZMKIGMICILDSC-LAUBAEHRSA-N 2 2 409.534 4.217 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccco1 ZINC000444569684 868886157 /nfs/dbraw/zinc/88/61/57/868886157.db2.gz FZMKIGMICILDSC-UTKZUKDTSA-N 2 2 409.534 4.217 20 0 HIADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444793265 869010046 /nfs/dbraw/zinc/01/00/46/869010046.db2.gz HBFIBKMVHHBJJI-KNQAVFIVSA-N 2 2 402.542 4.218 20 0 HIADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444793265 869010054 /nfs/dbraw/zinc/01/00/54/869010054.db2.gz HBFIBKMVHHBJJI-KNQAVFIVSA-N 2 2 402.542 4.218 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444799820 869014974 /nfs/dbraw/zinc/01/49/74/869014974.db2.gz IHIFNBAZUOMOJI-NZQKXSOJSA-N 2 2 418.541 4.297 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444799820 869014994 /nfs/dbraw/zinc/01/49/94/869014994.db2.gz IHIFNBAZUOMOJI-NZQKXSOJSA-N 2 2 418.541 4.297 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000444804645 869019476 /nfs/dbraw/zinc/01/94/76/869019476.db2.gz QAISWJJXCXGXPJ-FQEVSTJZSA-N 2 2 412.553 4.100 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000444804645 869019493 /nfs/dbraw/zinc/01/94/93/869019493.db2.gz QAISWJJXCXGXPJ-FQEVSTJZSA-N 2 2 412.553 4.100 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(Cl)cc(C(F)(F)F)c3)CC2)CC1 ZINC000444900186 869088265 /nfs/dbraw/zinc/08/82/65/869088265.db2.gz RAOWOQPYFBVVDW-UHFFFAOYSA-N 2 2 418.891 4.039 20 0 HIADLP C[NH+]1CCC(CNC(=O)CCCc2csc3ccccc23)([NH+]2CCCCC2)CC1 ZINC000446045450 870007497 /nfs/dbraw/zinc/00/74/97/870007497.db2.gz QFYDTDSZCWWBHJ-UHFFFAOYSA-N 2 2 413.631 4.291 20 0 HIADLP COc1cc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000446353014 870261644 /nfs/dbraw/zinc/26/16/44/870261644.db2.gz LWKLYWDUAZUPPY-FGZHOGPDSA-N 2 2 416.610 4.113 20 0 HIADLP COc1cc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000446353014 870261659 /nfs/dbraw/zinc/26/16/59/870261659.db2.gz LWKLYWDUAZUPPY-FGZHOGPDSA-N 2 2 416.610 4.113 20 0 HIADLP Brc1ccc(-n2cc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)cn2)cc1 ZINC000447076379 870960136 /nfs/dbraw/zinc/96/01/36/870960136.db2.gz HPZHYDNYYPFRLI-UHFFFAOYSA-N 2 2 414.332 4.172 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1)C(C)C ZINC000447676951 871609157 /nfs/dbraw/zinc/60/91/57/871609157.db2.gz DPACVHPWWWUKGT-UHFFFAOYSA-N 2 2 408.590 4.470 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1)C(C)C ZINC000447676951 871609168 /nfs/dbraw/zinc/60/91/68/871609168.db2.gz DPACVHPWWWUKGT-UHFFFAOYSA-N 2 2 408.590 4.470 20 0 HIADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734769 871685574 /nfs/dbraw/zinc/68/55/74/871685574.db2.gz YWJQUQNUVBTBQM-YKSBVNFPSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734769 871685604 /nfs/dbraw/zinc/68/56/04/871685604.db2.gz YWJQUQNUVBTBQM-YKSBVNFPSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734769 871685622 /nfs/dbraw/zinc/68/56/22/871685622.db2.gz YWJQUQNUVBTBQM-YKSBVNFPSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734769 871685642 /nfs/dbraw/zinc/68/56/42/871685642.db2.gz YWJQUQNUVBTBQM-YKSBVNFPSA-N 2 2 407.558 4.118 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)c1Br ZINC000447930815 871817594 /nfs/dbraw/zinc/81/75/94/871817594.db2.gz MWWLFVHZCAYBDR-UHFFFAOYSA-N 2 2 405.384 4.013 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460362694 872992335 /nfs/dbraw/zinc/99/23/35/872992335.db2.gz ZDCAMMSHNSPRKT-IAGOWNOFSA-N 2 2 415.965 4.033 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1 ZINC000460484072 873171035 /nfs/dbraw/zinc/17/10/35/873171035.db2.gz VRSXIDCKCURJOY-GOSISDBHSA-N 2 2 418.545 4.045 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)([NH+]2CCCCC2)CC1 ZINC000460485492 873172743 /nfs/dbraw/zinc/17/27/43/873172743.db2.gz BCLIJCIDVZJPOL-RPWUZVMVSA-N 2 2 405.586 4.010 20 0 HIADLP Cc1c2cccc(Cl)c2oc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460505751 873192201 /nfs/dbraw/zinc/19/22/01/873192201.db2.gz ZTOPSLRULHUVAO-UHFFFAOYSA-N 2 2 403.954 4.075 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3csc(C)n3)cc2)CC1 ZINC000462798003 875847474 /nfs/dbraw/zinc/84/74/74/875847474.db2.gz ICQFCXPHZYPITR-INIZCTEOSA-N 2 2 401.576 4.187 20 0 HIADLP C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000462799489 875848463 /nfs/dbraw/zinc/84/84/63/875848463.db2.gz UHEHDNRKRLNKHW-UHFFFAOYSA-N 2 2 409.574 4.176 20 0 HIADLP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000462799489 875848470 /nfs/dbraw/zinc/84/84/70/875848470.db2.gz UHEHDNRKRLNKHW-UHFFFAOYSA-N 2 2 409.574 4.176 20 0 HIADLP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1csc(-c2ccccc2F)n1 ZINC000462804224 875851585 /nfs/dbraw/zinc/85/15/85/875851585.db2.gz DIAYASLBOFDGRT-OAHLLOKOSA-N 2 2 400.523 4.135 20 0 HIADLP CC1CC[NH+](CCC[C@H]([NH2+]Cc2nnc3n2CCCCC3)c2ccc(F)cc2)CC1 ZINC000462805006 875853537 /nfs/dbraw/zinc/85/35/37/875853537.db2.gz UBBWHQNVQZLHTJ-QFIPXVFZSA-N 2 2 413.585 4.487 20 0 HIADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)CCc3cccc(Br)c3)sc2C1 ZINC000462826322 875863229 /nfs/dbraw/zinc/86/32/29/875863229.db2.gz CGEODODCQNQDFI-UHFFFAOYSA-N 2 2 408.409 4.347 20 0 HIADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)CCc3cccc(Br)c3)sc2C1 ZINC000462826322 875863230 /nfs/dbraw/zinc/86/32/30/875863230.db2.gz CGEODODCQNQDFI-UHFFFAOYSA-N 2 2 408.409 4.347 20 0 HIADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)CCc3cccc(Br)c3)sc2C1 ZINC000462826322 875863234 /nfs/dbraw/zinc/86/32/34/875863234.db2.gz CGEODODCQNQDFI-UHFFFAOYSA-N 2 2 408.409 4.347 20 0 HIADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)CCc3cccc(Br)c3)sc2C1 ZINC000462826322 875863242 /nfs/dbraw/zinc/86/32/42/875863242.db2.gz CGEODODCQNQDFI-UHFFFAOYSA-N 2 2 408.409 4.347 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000462900584 875926380 /nfs/dbraw/zinc/92/63/80/875926380.db2.gz CBNBVTOSPVMKAV-UXHICEINSA-N 2 2 412.496 4.349 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(OC(C)(C)C)cc1 ZINC000463012340 876028609 /nfs/dbraw/zinc/02/86/09/876028609.db2.gz QNTSZWKXDKFGSU-FQEVSTJZSA-N 2 2 412.574 4.426 20 0 HIADLP COc1ccc([C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N2CCCC2)cc1 ZINC000463136245 876185700 /nfs/dbraw/zinc/18/57/00/876185700.db2.gz CVYKJZIACVIFSY-SANMLTNESA-N 2 2 407.602 4.129 20 0 HIADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccc(Br)cc1 ZINC000463207662 876268204 /nfs/dbraw/zinc/26/82/04/876268204.db2.gz SYZULDNRBKWIQI-ZDUSSCGKSA-N 2 2 409.290 4.223 20 0 HIADLP CC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811102 878062343 /nfs/dbraw/zinc/06/23/43/878062343.db2.gz QMUUILIFXBTEPO-UHFFFAOYSA-N 2 2 420.601 4.446 20 0 HIADLP CC[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811102 878062359 /nfs/dbraw/zinc/06/23/59/878062359.db2.gz QMUUILIFXBTEPO-UHFFFAOYSA-N 2 2 420.601 4.446 20 0 HIADLP O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503367795 912344062 /nfs/dbraw/zinc/34/40/62/912344062.db2.gz BEHHDKIUDDVYGE-WBVHZDCISA-N 2 2 424.372 4.146 20 0 HIADLP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503367795 912344081 /nfs/dbraw/zinc/34/40/81/912344081.db2.gz BEHHDKIUDDVYGE-WBVHZDCISA-N 2 2 424.372 4.146 20 0 HIADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503375218 912356733 /nfs/dbraw/zinc/35/67/33/912356733.db2.gz KLERLACVVFZCBL-LSWJPFSZSA-N 2 2 408.590 4.445 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375752 912356796 /nfs/dbraw/zinc/35/67/96/912356796.db2.gz MMEODIFNSBLQNO-MRXNPFEDSA-N 2 2 416.953 4.090 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503375752 912356807 /nfs/dbraw/zinc/35/68/07/912356807.db2.gz MMEODIFNSBLQNO-MRXNPFEDSA-N 2 2 416.953 4.090 20 0 HIADLP C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503372084 912352434 /nfs/dbraw/zinc/35/24/34/912352434.db2.gz JCWLSEOIRSCYGL-JLMWRMLUSA-N 2 2 417.981 4.191 20 0 HIADLP C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503372084 912352452 /nfs/dbraw/zinc/35/24/52/912352452.db2.gz JCWLSEOIRSCYGL-JLMWRMLUSA-N 2 2 417.981 4.191 20 0 HIADLP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503372906 912353745 /nfs/dbraw/zinc/35/37/45/912353745.db2.gz HWMNOBVKMINTNU-SBHAEUEKSA-N 2 2 406.574 4.155 20 0 HIADLP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503372906 912353765 /nfs/dbraw/zinc/35/37/65/912353765.db2.gz HWMNOBVKMINTNU-SBHAEUEKSA-N 2 2 406.574 4.155 20 0 HIADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503375218 912356715 /nfs/dbraw/zinc/35/67/15/912356715.db2.gz KLERLACVVFZCBL-LSWJPFSZSA-N 2 2 408.590 4.445 20 0 HIADLP O=C([C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCCCC1 ZINC000503407987 912387972 /nfs/dbraw/zinc/38/79/72/912387972.db2.gz GUTGYMQDZDDFBU-JTHBVZDNSA-N 2 2 406.574 4.153 20 0 HIADLP O=C([C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCCCC1 ZINC000503407987 912387988 /nfs/dbraw/zinc/38/79/88/912387988.db2.gz GUTGYMQDZDDFBU-JTHBVZDNSA-N 2 2 406.574 4.153 20 0 HIADLP COCc1cccc(OCC2(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)CC2)c1 ZINC000503410216 912390081 /nfs/dbraw/zinc/39/00/81/912390081.db2.gz LJDLOFKYMPHSHM-OAQYLSRUSA-N 2 2 409.574 4.404 20 0 HIADLP COCc1cccc(OCC2(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)CC2)c1 ZINC000503410216 912390102 /nfs/dbraw/zinc/39/01/02/912390102.db2.gz LJDLOFKYMPHSHM-OAQYLSRUSA-N 2 2 409.574 4.404 20 0 HIADLP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411161 912393744 /nfs/dbraw/zinc/39/37/44/912393744.db2.gz ZLCZSEDXWXZKNT-PXNSSMCTSA-N 2 2 407.480 4.021 20 0 HIADLP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411161 912393765 /nfs/dbraw/zinc/39/37/65/912393765.db2.gz ZLCZSEDXWXZKNT-PXNSSMCTSA-N 2 2 407.480 4.021 20 0 HIADLP CC(C)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000465490859 878932114 /nfs/dbraw/zinc/93/21/14/878932114.db2.gz ICBITZIUYTXHEY-NRFANRHFSA-N 2 2 421.029 4.287 20 0 HIADLP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000465524283 878975417 /nfs/dbraw/zinc/97/54/17/878975417.db2.gz JPAWWLXYOCQLQS-HXUWFJFHSA-N 2 2 407.002 4.041 20 0 HIADLP C[NH+]1CCC(CNC(=O)N[C@H](c2ccccc2)C2CCCC2)([NH+]2CCCCC2)CC1 ZINC000465656964 879182744 /nfs/dbraw/zinc/18/27/44/879182744.db2.gz JMBUIXPALZCXTI-HSZRJFAPSA-N 2 2 412.622 4.167 20 0 HIADLP CC[C@@H](C)[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465803169 879415068 /nfs/dbraw/zinc/41/50/68/879415068.db2.gz CEGBBFKXFYEIGC-VGSWGCGISA-N 2 2 421.029 4.285 20 0 HIADLP Cc1ccc([C@@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1C ZINC000466142753 879852167 /nfs/dbraw/zinc/85/21/67/879852167.db2.gz JLLQGOHVBUUGDJ-QHCPKHFHSA-N 2 2 412.622 4.100 20 0 HIADLP Cc1oc2ccccc2c1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466278207 880017635 /nfs/dbraw/zinc/01/76/35/880017635.db2.gz OWNBURPKWXPXRT-XZOQPEGZSA-N 2 2 411.590 4.079 20 0 HIADLP Cc1oc2ccccc2c1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466278207 880017645 /nfs/dbraw/zinc/01/76/45/880017645.db2.gz OWNBURPKWXPXRT-XZOQPEGZSA-N 2 2 411.590 4.079 20 0 HIADLP Cc1cc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)ccc1I ZINC000466364729 880123749 /nfs/dbraw/zinc/12/37/49/880123749.db2.gz QNUQGZPTJTVRNY-UHFFFAOYSA-N 2 2 409.296 4.137 20 0 HIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3cc4cc(Br)ccc4[nH]3)sc2C1 ZINC000466446036 880221831 /nfs/dbraw/zinc/22/18/31/880221831.db2.gz MNUJXTLJTFZCTC-UHFFFAOYSA-N 2 2 419.392 4.443 20 0 HIADLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3cc4cc(Br)ccc4[nH]3)sc2C1 ZINC000466446036 880221845 /nfs/dbraw/zinc/22/18/45/880221845.db2.gz MNUJXTLJTFZCTC-UHFFFAOYSA-N 2 2 419.392 4.443 20 0 HIADLP C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467139639 880883378 /nfs/dbraw/zinc/88/33/78/880883378.db2.gz OKWYCWOYUVBNNY-LBPRGKRZSA-N 2 2 417.485 4.018 20 0 HIADLP C[N@H+](Cc1ccccc1OCC(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512374323 921113510 /nfs/dbraw/zinc/11/35/10/921113510.db2.gz FMVWKOVEWFZBJB-UHFFFAOYSA-N 2 2 407.480 4.162 20 0 HIADLP C[N@@H+](Cc1ccccc1OCC(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512374323 921113516 /nfs/dbraw/zinc/11/35/16/921113516.db2.gz FMVWKOVEWFZBJB-UHFFFAOYSA-N 2 2 407.480 4.162 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000469762588 883929252 /nfs/dbraw/zinc/92/92/52/883929252.db2.gz DLQQLTLQYGQGOE-QZTJIDSGSA-N 2 2 423.992 4.382 20 0 HIADLP CCC(CC)(CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000469765415 883935604 /nfs/dbraw/zinc/93/56/04/883935604.db2.gz SNCYDTOQVFNTCN-JAXLGGSGSA-N 2 2 411.594 4.385 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000469771036 883945559 /nfs/dbraw/zinc/94/55/59/883945559.db2.gz XPHIISBKNZPEOP-IAGOWNOFSA-N 2 2 424.570 4.088 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C(F)(F)F)o1 ZINC000472002258 886827148 /nfs/dbraw/zinc/82/71/48/886827148.db2.gz LGQAADLCXYKWQP-ZWKOTPCHSA-N 2 2 415.500 4.016 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C(F)(F)F)o1 ZINC000472002258 886827150 /nfs/dbraw/zinc/82/71/50/886827150.db2.gz LGQAADLCXYKWQP-ZWKOTPCHSA-N 2 2 415.500 4.016 20 0 HIADLP C[C@H](CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)[NH+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473157834 887935494 /nfs/dbraw/zinc/93/54/94/887935494.db2.gz GNNQUQLXWAWSDO-BQQUOAEZSA-N 2 2 404.554 4.028 20 0 HIADLP C[C@H](CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12)[NH+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473157834 887935507 /nfs/dbraw/zinc/93/55/07/887935507.db2.gz GNNQUQLXWAWSDO-BQQUOAEZSA-N 2 2 404.554 4.028 20 0 HIADLP C[C@H](CC[NH+]1CC[C@@]2(C1)OCc1ccccc12)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473157834 887935515 /nfs/dbraw/zinc/93/55/15/887935515.db2.gz GNNQUQLXWAWSDO-BQQUOAEZSA-N 2 2 404.554 4.028 20 0 HIADLP C[C@H](CC[NH+]1CC[C@@]2(C1)OCc1ccccc12)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473157834 887935522 /nfs/dbraw/zinc/93/55/22/887935522.db2.gz GNNQUQLXWAWSDO-BQQUOAEZSA-N 2 2 404.554 4.028 20 0 HIADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473494710 888216274 /nfs/dbraw/zinc/21/62/74/888216274.db2.gz BHBCZMRMLHTKTG-RUZDIDTESA-N 2 2 400.526 4.001 20 0 HIADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473494710 888216294 /nfs/dbraw/zinc/21/62/94/888216294.db2.gz BHBCZMRMLHTKTG-RUZDIDTESA-N 2 2 400.526 4.001 20 0 HIADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000473684101 888454298 /nfs/dbraw/zinc/45/42/98/888454298.db2.gz VVCWXFMMUDZSEK-LJQANCHMSA-N 2 2 410.389 4.485 20 0 HIADLP COc1ccc2nc(C[NH2+]Cc3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000474353212 889231616 /nfs/dbraw/zinc/23/16/16/889231616.db2.gz NMRFJRSKWIJUBR-IRXDYDNUSA-N 2 2 411.571 4.204 20 0 HIADLP CCCOc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OC ZINC000475337013 890258449 /nfs/dbraw/zinc/25/84/49/890258449.db2.gz UGOCXCLUVNZNJY-UHFFFAOYSA-N 2 2 400.485 4.379 20 0 HIADLP COc1ccc(C[C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OC ZINC000475339228 890259274 /nfs/dbraw/zinc/25/92/74/890259274.db2.gz WAHJBIVVKRZEAL-NNGSBXSVSA-N 2 2 400.485 4.030 20 0 HIADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)CC3 ZINC000475353476 890278872 /nfs/dbraw/zinc/27/88/72/890278872.db2.gz WDIDXRLIRYFYRS-GTPINHCMSA-N 2 2 421.507 4.429 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475569212 890499367 /nfs/dbraw/zinc/49/93/67/890499367.db2.gz PRRSFIMYCBKAFY-UHFFFAOYSA-N 2 2 403.368 4.050 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475725255 890663743 /nfs/dbraw/zinc/66/37/43/890663743.db2.gz BPPVEQDDHFPGIY-CJFMBICVSA-N 2 2 423.626 4.009 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475725255 890663747 /nfs/dbraw/zinc/66/37/47/890663747.db2.gz BPPVEQDDHFPGIY-CJFMBICVSA-N 2 2 423.626 4.009 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475725255 890663751 /nfs/dbraw/zinc/66/37/51/890663751.db2.gz BPPVEQDDHFPGIY-CJFMBICVSA-N 2 2 423.626 4.009 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475725255 890663755 /nfs/dbraw/zinc/66/37/55/890663755.db2.gz BPPVEQDDHFPGIY-CJFMBICVSA-N 2 2 423.626 4.009 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@]3(C1)CCC[N@H+](Cc1ccccc1)C3)C2 ZINC000476241022 891165609 /nfs/dbraw/zinc/16/56/09/891165609.db2.gz XAYFGFJEGOEVKD-HFZDXXHNSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)C2 ZINC000476241022 891165616 /nfs/dbraw/zinc/16/56/16/891165616.db2.gz XAYFGFJEGOEVKD-HFZDXXHNSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@]3(C1)CCC[N@H+](Cc1ccccc1)C3)CC2 ZINC000476241022 891165622 /nfs/dbraw/zinc/16/56/22/891165622.db2.gz XAYFGFJEGOEVKD-HFZDXXHNSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)CC2 ZINC000476241022 891165630 /nfs/dbraw/zinc/16/56/30/891165630.db2.gz XAYFGFJEGOEVKD-HFZDXXHNSA-N 2 2 420.601 4.153 20 0 HIADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000476984683 891910409 /nfs/dbraw/zinc/91/04/09/891910409.db2.gz YOBQVFXYBBFNJH-KBXCAEBGSA-N 2 2 409.958 4.025 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477079577 892015407 /nfs/dbraw/zinc/01/54/07/892015407.db2.gz AGFNBUJZRDZGKI-UHFFFAOYSA-N 2 2 414.553 4.060 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477079577 892015419 /nfs/dbraw/zinc/01/54/19/892015419.db2.gz AGFNBUJZRDZGKI-UHFFFAOYSA-N 2 2 414.553 4.060 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)C2 ZINC000477132050 892060301 /nfs/dbraw/zinc/06/03/01/892060301.db2.gz AOMHESJTDOTJHC-IBGZPJMESA-N 2 2 423.605 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)CC2 ZINC000477132050 892060326 /nfs/dbraw/zinc/06/03/26/892060326.db2.gz AOMHESJTDOTJHC-IBGZPJMESA-N 2 2 423.605 4.055 20 0 HIADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000479252862 894518952 /nfs/dbraw/zinc/51/89/52/894518952.db2.gz LDQGVEDAWSCLPZ-LBPRGKRZSA-N 2 2 409.290 4.229 20 0 HIADLP C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000480217805 895620786 /nfs/dbraw/zinc/62/07/86/895620786.db2.gz BBXDNHBPOPMCAO-JTSKRJEESA-N 2 2 412.965 4.454 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000480613788 895980638 /nfs/dbraw/zinc/98/06/38/895980638.db2.gz MSQZBJIMYAMDFL-HNNXBMFYSA-N 2 2 406.357 4.232 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(Cl)c1Cl ZINC000480616912 895983770 /nfs/dbraw/zinc/98/37/70/895983770.db2.gz NCVHNAVLLGMBKO-HNNXBMFYSA-N 2 2 406.357 4.232 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000480762773 896124087 /nfs/dbraw/zinc/12/40/87/896124087.db2.gz LFVGIRLUHBDFHF-AJSBUHFISA-N 2 2 408.030 4.204 20 0 HIADLP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000480762773 896124096 /nfs/dbraw/zinc/12/40/96/896124096.db2.gz LFVGIRLUHBDFHF-AJSBUHFISA-N 2 2 408.030 4.204 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000481005631 896336702 /nfs/dbraw/zinc/33/67/02/896336702.db2.gz FSNOLUOMDDBEPL-GOTSBHOMSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000481005631 896336716 /nfs/dbraw/zinc/33/67/16/896336716.db2.gz FSNOLUOMDDBEPL-GOTSBHOMSA-N 2 2 400.611 4.358 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000481164166 896496053 /nfs/dbraw/zinc/49/60/53/896496053.db2.gz AXZCZQUGXPPBKB-JXFKEZNVSA-N 2 2 421.463 4.024 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000481164166 896496056 /nfs/dbraw/zinc/49/60/56/896496056.db2.gz AXZCZQUGXPPBKB-JXFKEZNVSA-N 2 2 421.463 4.024 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1OC(F)F ZINC000481164848 896498256 /nfs/dbraw/zinc/49/82/56/896498256.db2.gz AQJUNOIJGYMDJQ-AOIWGVFYSA-N 2 2 417.500 4.115 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1OC(F)F ZINC000481164848 896498272 /nfs/dbraw/zinc/49/82/72/896498272.db2.gz AQJUNOIJGYMDJQ-AOIWGVFYSA-N 2 2 417.500 4.115 20 0 HIADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481188929 896535270 /nfs/dbraw/zinc/53/52/70/896535270.db2.gz LLLCOULRQGIYLE-ZJSXRUAMSA-N 2 2 420.601 4.034 20 0 HIADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481188929 896535284 /nfs/dbraw/zinc/53/52/84/896535284.db2.gz LLLCOULRQGIYLE-ZJSXRUAMSA-N 2 2 420.601 4.034 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc2ccccc2o1 ZINC000481189028 896539449 /nfs/dbraw/zinc/53/94/49/896539449.db2.gz ZPNCLKOTRUPBMZ-FAKFISEUSA-N 2 2 419.569 4.499 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc2ccccc2o1 ZINC000481189028 896539466 /nfs/dbraw/zinc/53/94/66/896539466.db2.gz ZPNCLKOTRUPBMZ-FAKFISEUSA-N 2 2 419.569 4.499 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000481198901 896552727 /nfs/dbraw/zinc/55/27/27/896552727.db2.gz DGUBOCHGKNRVQM-QGZVFWFLSA-N 2 2 424.463 4.147 20 0 HIADLP Clc1cccc2c1SCC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481207700 896560237 /nfs/dbraw/zinc/56/02/37/896560237.db2.gz WKHTUWYZONBSAS-FQEVSTJZSA-N 2 2 418.990 4.378 20 0 HIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000481237077 896587301 /nfs/dbraw/zinc/58/73/01/896587301.db2.gz QHYPQLJUBWKMNZ-SFHVURJKSA-N 2 2 421.614 4.040 20 0 HIADLP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cn2)c1 ZINC000481305422 896652938 /nfs/dbraw/zinc/65/29/38/896652938.db2.gz GFVADYLEPPXYAB-CYFREDJKSA-N 2 2 418.541 4.278 20 0 HIADLP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cn2)c1 ZINC000481305422 896652946 /nfs/dbraw/zinc/65/29/46/896652946.db2.gz GFVADYLEPPXYAB-CYFREDJKSA-N 2 2 418.541 4.278 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1Br ZINC000481327277 896683818 /nfs/dbraw/zinc/68/38/18/896683818.db2.gz GCVSFFINHWWRON-OAHLLOKOSA-N 2 2 407.327 4.271 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000481341346 896707110 /nfs/dbraw/zinc/70/71/10/896707110.db2.gz SOCAHUSYIDBOFN-JPYJTQIMSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000481341346 896707125 /nfs/dbraw/zinc/70/71/25/896707125.db2.gz SOCAHUSYIDBOFN-JPYJTQIMSA-N 2 2 406.505 4.408 20 0 HIADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCCO2 ZINC000481409201 896815208 /nfs/dbraw/zinc/81/52/08/896815208.db2.gz AQZFVCHZALNKIU-DEOSSOPVSA-N 2 2 410.558 4.018 20 0 HIADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc2ccccc2c1OC(F)F ZINC000482028073 897436361 /nfs/dbraw/zinc/43/63/61/897436361.db2.gz AGQOKEBCVISCBT-JXFKEZNVSA-N 2 2 419.516 4.035 20 0 HIADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc2ccccc2c1OC(F)F ZINC000482028073 897436369 /nfs/dbraw/zinc/43/63/69/897436369.db2.gz AGQOKEBCVISCBT-JXFKEZNVSA-N 2 2 419.516 4.035 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000482120267 897574801 /nfs/dbraw/zinc/57/48/01/897574801.db2.gz AWHYGXNCDVDGGY-VYDXJSESSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000482120267 897574814 /nfs/dbraw/zinc/57/48/14/897574814.db2.gz AWHYGXNCDVDGGY-VYDXJSESSA-N 2 2 416.393 4.047 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(Cl)sc1Cl ZINC000482236128 897716764 /nfs/dbraw/zinc/71/67/64/897716764.db2.gz BBOGVJWOHVQMFQ-GFCCVEGCSA-N 2 2 400.375 4.197 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1)C(C)C ZINC000505511236 914200129 /nfs/dbraw/zinc/20/01/29/914200129.db2.gz BOFJNUUHXBWJFH-OAQYLSRUSA-N 2 2 423.601 4.445 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1)C(C)C ZINC000505511236 914200136 /nfs/dbraw/zinc/20/01/36/914200136.db2.gz BOFJNUUHXBWJFH-OAQYLSRUSA-N 2 2 423.601 4.445 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn(-c3ccc(Br)cc3)nc1C)CCC2 ZINC000482786998 898395694 /nfs/dbraw/zinc/39/56/94/898395694.db2.gz ITLWHWPKUFKNON-MRXNPFEDSA-N 2 2 414.351 4.115 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000482946340 898571781 /nfs/dbraw/zinc/57/17/81/898571781.db2.gz KNBSYOAIRNVLKX-MSOLQXFVSA-N 2 2 403.592 4.228 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482956094 898585625 /nfs/dbraw/zinc/58/56/25/898585625.db2.gz ZVEOTVMIIWZKJN-NVQXNPDNSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482956094 898585639 /nfs/dbraw/zinc/58/56/39/898585639.db2.gz ZVEOTVMIIWZKJN-NVQXNPDNSA-N 3 2 406.618 4.458 20 0 HIADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000482975352 898610503 /nfs/dbraw/zinc/61/05/03/898610503.db2.gz BYKBNISPWDFBKG-IBGZPJMESA-N 2 2 424.614 4.295 20 0 HIADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000482975352 898610506 /nfs/dbraw/zinc/61/05/06/898610506.db2.gz BYKBNISPWDFBKG-IBGZPJMESA-N 2 2 424.614 4.295 20 0 HIADLP O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482975352 898610511 /nfs/dbraw/zinc/61/05/11/898610511.db2.gz BYKBNISPWDFBKG-IBGZPJMESA-N 2 2 424.614 4.295 20 0 HIADLP O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482975352 898610518 /nfs/dbraw/zinc/61/05/18/898610518.db2.gz BYKBNISPWDFBKG-IBGZPJMESA-N 2 2 424.614 4.295 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000483121926 898808617 /nfs/dbraw/zinc/80/86/17/898808617.db2.gz BIKTXMSOSWGUEU-GOSISDBHSA-N 2 2 409.555 4.439 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1I ZINC000483145613 898823469 /nfs/dbraw/zinc/82/34/69/898823469.db2.gz QFOCPCHFWJOTTD-ZDUSSCGKSA-N 2 2 412.290 4.343 20 0 HIADLP Clc1sc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1Br ZINC000483281043 898918652 /nfs/dbraw/zinc/91/86/52/898918652.db2.gz WJHNWBVOFBIRAW-UHFFFAOYSA-N 2 2 407.805 4.098 20 0 HIADLP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000483647624 899304591 /nfs/dbraw/zinc/30/45/91/899304591.db2.gz UCUXYAIOKQSPHI-GOSISDBHSA-N 2 2 423.536 4.177 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483830216 899507928 /nfs/dbraw/zinc/50/79/28/899507928.db2.gz CQAIWTPICDOKCD-AEFFLSMTSA-N 2 2 419.447 4.273 20 0 HIADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000484285637 899851759 /nfs/dbraw/zinc/85/17/59/899851759.db2.gz WAFYVDXMQJYWNX-IBGZPJMESA-N 2 2 401.514 4.461 20 0 HIADLP CCCc1nc(C)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000486356694 901527625 /nfs/dbraw/zinc/52/76/25/901527625.db2.gz XCGDQOHDCHDRRQ-MOPGFXCFSA-N 2 2 421.655 4.205 20 0 HIADLP CCCc1nc(C)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000486356694 901527632 /nfs/dbraw/zinc/52/76/32/901527632.db2.gz XCGDQOHDCHDRRQ-MOPGFXCFSA-N 2 2 421.655 4.205 20 0 HIADLP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)cc1O ZINC000486475898 901636155 /nfs/dbraw/zinc/63/61/55/901636155.db2.gz KOWVKNHHGWDFMJ-WBVHZDCISA-N 2 2 419.363 4.164 20 0 HIADLP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)cc1O ZINC000486475898 901636168 /nfs/dbraw/zinc/63/61/68/901636168.db2.gz KOWVKNHHGWDFMJ-WBVHZDCISA-N 2 2 419.363 4.164 20 0 HIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnc2nc(C)cc(C)n12 ZINC000506013693 914687026 /nfs/dbraw/zinc/68/70/26/914687026.db2.gz YTQFQLQAGZJBOG-UHFFFAOYSA-N 2 2 418.545 4.034 20 0 HIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc2nc(C)cc(C)n12 ZINC000506013693 914687050 /nfs/dbraw/zinc/68/70/50/914687050.db2.gz YTQFQLQAGZJBOG-UHFFFAOYSA-N 2 2 418.545 4.034 20 0 HIADLP Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000489182764 903247744 /nfs/dbraw/zinc/24/77/44/903247744.db2.gz FYKIQOUININNAF-OAQYLSRUSA-N 2 2 414.638 4.282 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000489287630 903310571 /nfs/dbraw/zinc/31/05/71/903310571.db2.gz FPGZFSKRHDQUET-INIZCTEOSA-N 2 2 418.944 4.440 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000489287630 903310586 /nfs/dbraw/zinc/31/05/86/903310586.db2.gz FPGZFSKRHDQUET-INIZCTEOSA-N 2 2 418.944 4.440 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000489292300 903312852 /nfs/dbraw/zinc/31/28/52/903312852.db2.gz MWJDJIWPAWMQAZ-QGZVFWFLSA-N 2 2 423.586 4.257 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000489292300 903312857 /nfs/dbraw/zinc/31/28/57/903312857.db2.gz MWJDJIWPAWMQAZ-QGZVFWFLSA-N 2 2 423.586 4.257 20 0 HIADLP C[C@H](c1nnc(SCC[NH+]2CCC(C)CC2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000490583787 904116545 /nfs/dbraw/zinc/11/65/45/904116545.db2.gz WKVLZACIRQEBIX-MRXNPFEDSA-N 2 2 408.015 4.367 20 0 HIADLP O=C(NCc1ccco1)c1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491056168 904398318 /nfs/dbraw/zinc/39/83/18/904398318.db2.gz ILSQEKVSSVSPLL-QFIPXVFZSA-N 2 2 409.574 4.298 20 0 HIADLP O=C(NCc1ccco1)c1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491056168 904398328 /nfs/dbraw/zinc/39/83/28/904398328.db2.gz ILSQEKVSSVSPLL-QFIPXVFZSA-N 2 2 409.574 4.298 20 0 HIADLP FC(F)Oc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000493150736 905032949 /nfs/dbraw/zinc/03/29/49/905032949.db2.gz PRFJRLQLQXCFRS-FDDCHVKYSA-N 2 2 416.512 4.468 20 0 HIADLP FC(F)Oc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2)cc1 ZINC000493150737 905034610 /nfs/dbraw/zinc/03/46/10/905034610.db2.gz PRFJRLQLQXCFRS-JPYJTQIMSA-N 2 2 416.512 4.468 20 0 HIADLP CCc1ccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493277463 905075840 /nfs/dbraw/zinc/07/58/40/905075840.db2.gz QXBWVAYDYVSSGW-XMMPIXPASA-N 2 2 423.582 4.229 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Br)cs1 ZINC000493914449 905266221 /nfs/dbraw/zinc/26/62/21/905266221.db2.gz AEBVQFXBGDMCSB-QILLFSRXSA-N 2 2 409.393 4.044 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc(Br)cs1 ZINC000493914449 905266237 /nfs/dbraw/zinc/26/62/37/905266237.db2.gz AEBVQFXBGDMCSB-QILLFSRXSA-N 2 2 409.393 4.044 20 0 HIADLP C[NH+](C)CCCC1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000493977053 905322280 /nfs/dbraw/zinc/32/22/80/905322280.db2.gz MIEXKGFLTZCZSP-UHFFFAOYSA-N 2 2 407.562 4.188 20 0 HIADLP Clc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494401995 905694379 /nfs/dbraw/zinc/69/43/79/905694379.db2.gz CMXUKNHBYDFHCL-FQEVSTJZSA-N 2 2 403.917 4.494 20 0 HIADLP Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n2)c1 ZINC000494421865 905708087 /nfs/dbraw/zinc/70/80/87/905708087.db2.gz AKFAQIAWSSAJOV-WLRLJWMZSA-N 2 2 402.546 4.021 20 0 HIADLP Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2)c1 ZINC000494421865 905708106 /nfs/dbraw/zinc/70/81/06/905708106.db2.gz AKFAQIAWSSAJOV-WLRLJWMZSA-N 2 2 402.546 4.021 20 0 HIADLP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494568238 905840929 /nfs/dbraw/zinc/84/09/29/905840929.db2.gz XDTKFKOPLOBERL-PKTZIBPZSA-N 2 2 409.578 4.067 20 0 HIADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000494633054 905874055 /nfs/dbraw/zinc/87/40/55/905874055.db2.gz NKPRTKZFAMUDRA-UHFFFAOYSA-N 2 2 421.589 4.057 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@H](C[C@@H]3CCOC3)c3ccc(F)cc3)[nH+]c2)CC1 ZINC000494825775 906019586 /nfs/dbraw/zinc/01/95/86/906019586.db2.gz OWNOBHOFVQFAKF-FDDCHVKYSA-N 2 2 412.553 4.331 20 0 HIADLP O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@H+](CCn1cc[nH+]c1)Cc1ccco1 ZINC000499001188 908378512 /nfs/dbraw/zinc/37/85/12/908378512.db2.gz RSWYMINXBFOXIM-HXUWFJFHSA-N 2 2 414.509 4.147 20 0 HIADLP O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@@H+](CCn1cc[nH+]c1)Cc1ccco1 ZINC000499001188 908378527 /nfs/dbraw/zinc/37/85/27/908378527.db2.gz RSWYMINXBFOXIM-HXUWFJFHSA-N 2 2 414.509 4.147 20 0 HIADLP CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499024156 908398652 /nfs/dbraw/zinc/39/86/52/908398652.db2.gz VXBGHZQRVKIQSD-FQEVSTJZSA-N 2 2 415.628 4.245 20 0 HIADLP CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499024156 908398665 /nfs/dbraw/zinc/39/86/65/908398665.db2.gz VXBGHZQRVKIQSD-FQEVSTJZSA-N 2 2 415.628 4.245 20 0 HIADLP C[C@@H]1CCC[C@@H](OCCCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000499421113 908788147 /nfs/dbraw/zinc/78/81/47/908788147.db2.gz LNYGFPYPHYFQHB-DHIUTWEWSA-N 2 2 421.670 4.209 20 0 HIADLP FC(F)(F)c1ccc(C[C@]2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCOC2)cc1 ZINC000512977054 921449138 /nfs/dbraw/zinc/44/91/38/921449138.db2.gz FNVIJQWPCBHTRV-OAQYLSRUSA-N 2 2 401.432 4.383 20 0 HIADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)CC2)cc1 ZINC000501384619 910514665 /nfs/dbraw/zinc/51/46/65/910514665.db2.gz AGCATDODERNOAG-AOYPEHQESA-N 2 2 406.618 4.295 20 0 HIADLP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000501788239 910841103 /nfs/dbraw/zinc/84/11/03/910841103.db2.gz DSBGBJSDWPVFIF-INIZCTEOSA-N 2 2 420.623 4.145 20 0 HIADLP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000501788239 910841115 /nfs/dbraw/zinc/84/11/15/910841115.db2.gz DSBGBJSDWPVFIF-INIZCTEOSA-N 2 2 420.623 4.145 20 0 HIADLP CN(c1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC[NH+](C)CC1 ZINC000502331648 911311187 /nfs/dbraw/zinc/31/11/87/911311187.db2.gz JHDMDRFZTQBCTO-QFIPXVFZSA-N 3 2 421.633 4.129 20 0 HIADLP CN(c1ccccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC[NH+](C)CC1 ZINC000502331648 911311208 /nfs/dbraw/zinc/31/12/08/911311208.db2.gz JHDMDRFZTQBCTO-QFIPXVFZSA-N 3 2 421.633 4.129 20 0 HIADLP COc1sc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1Br ZINC000502345542 911325014 /nfs/dbraw/zinc/32/50/14/911325014.db2.gz LTKUGDUEVRUCLK-ZDUSSCGKSA-N 2 2 410.381 4.432 20 0 HIADLP COc1sc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1Br ZINC000502345542 911325039 /nfs/dbraw/zinc/32/50/39/911325039.db2.gz LTKUGDUEVRUCLK-ZDUSSCGKSA-N 2 2 410.381 4.432 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCC1)c1ccccc1 ZINC000502926820 911912302 /nfs/dbraw/zinc/91/23/02/911912302.db2.gz UPOUPXQHMNOYDM-FQEVSTJZSA-N 2 2 421.589 4.013 20 0 HIADLP CCC(CC)(CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[NH2+][C@H](C)c1ccccc1 ZINC000502960110 911941352 /nfs/dbraw/zinc/94/13/52/911941352.db2.gz NKVPFJAZGPTWIG-HXUWFJFHSA-N 2 2 423.605 4.391 20 0 HIADLP c1c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000506358672 914981037 /nfs/dbraw/zinc/98/10/37/914981037.db2.gz YZJCPJFBJNUOPM-UHFFFAOYSA-N 2 2 401.558 4.385 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1)C1CC1 ZINC000508573688 917347445 /nfs/dbraw/zinc/34/74/45/917347445.db2.gz WNGSYKCSNKTHJE-UHFFFAOYSA-N 2 2 404.514 4.199 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1)C1CC1 ZINC000508573688 917347463 /nfs/dbraw/zinc/34/74/63/917347463.db2.gz WNGSYKCSNKTHJE-UHFFFAOYSA-N 2 2 404.514 4.199 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000508638980 917403858 /nfs/dbraw/zinc/40/38/58/917403858.db2.gz PRHKQWSAKDMESI-YLJYHZDGSA-N 2 2 403.954 4.086 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000508638980 917403861 /nfs/dbraw/zinc/40/38/61/917403861.db2.gz PRHKQWSAKDMESI-YLJYHZDGSA-N 2 2 403.954 4.086 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508857341 917611690 /nfs/dbraw/zinc/61/16/90/917611690.db2.gz WWYCTJWVOGNULM-YKSBVNFPSA-N 2 2 423.605 4.021 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000509047490 917798847 /nfs/dbraw/zinc/79/88/47/917798847.db2.gz BJVTXYDVCADPDB-HXUWFJFHSA-N 2 2 403.958 4.035 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000509047490 917798851 /nfs/dbraw/zinc/79/88/51/917798851.db2.gz BJVTXYDVCADPDB-HXUWFJFHSA-N 2 2 403.958 4.035 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Cl)cc1 ZINC000509047490 917798865 /nfs/dbraw/zinc/79/88/65/917798865.db2.gz BJVTXYDVCADPDB-HXUWFJFHSA-N 2 2 403.958 4.035 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Cl)cc1 ZINC000509047490 917798873 /nfs/dbraw/zinc/79/88/73/917798873.db2.gz BJVTXYDVCADPDB-HXUWFJFHSA-N 2 2 403.958 4.035 20 0 HIADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509491609 918137758 /nfs/dbraw/zinc/13/77/58/918137758.db2.gz HVSTUPYJHRRJTK-HXUWFJFHSA-N 2 2 419.573 4.128 20 0 HIADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509491609 918137765 /nfs/dbraw/zinc/13/77/65/918137765.db2.gz HVSTUPYJHRRJTK-HXUWFJFHSA-N 2 2 419.573 4.128 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)CC1 ZINC000509950991 918546683 /nfs/dbraw/zinc/54/66/83/918546683.db2.gz CKZLNOZORPGWFS-UHFFFAOYSA-N 2 2 418.025 4.217 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1 ZINC000510428551 918891585 /nfs/dbraw/zinc/89/15/85/918891585.db2.gz UIDBJFRFWMUZPK-UHFFFAOYSA-N 2 2 406.555 4.290 20 0 HIADLP CC[NH+](CC)CCOc1cc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)ccc1OC ZINC000510811109 919287090 /nfs/dbraw/zinc/28/70/90/919287090.db2.gz JAYLBISLWVMOMF-UHFFFAOYSA-N 2 2 422.529 4.162 20 0 HIADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000511234112 919837979 /nfs/dbraw/zinc/83/79/79/919837979.db2.gz UKISXOPBPYOFBK-FQEVSTJZSA-N 2 2 403.929 4.108 20 0 HIADLP C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511949301 920705916 /nfs/dbraw/zinc/70/59/16/920705916.db2.gz QHMFSLYLALUVBP-KURKYZTESA-N 2 2 419.639 4.150 20 0 HIADLP C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511949301 920705940 /nfs/dbraw/zinc/70/59/40/920705940.db2.gz QHMFSLYLALUVBP-KURKYZTESA-N 2 2 419.639 4.150 20 0 HIADLP C[C@@H](NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511949301 920705960 /nfs/dbraw/zinc/70/59/60/920705960.db2.gz QHMFSLYLALUVBP-KURKYZTESA-N 2 2 419.639 4.150 20 0 HIADLP C[C@@H](NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511949301 920705976 /nfs/dbraw/zinc/70/59/76/920705976.db2.gz QHMFSLYLALUVBP-KURKYZTESA-N 2 2 419.639 4.150 20 0 HIADLP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)s1 ZINC000512008477 920780608 /nfs/dbraw/zinc/78/06/08/920780608.db2.gz QLFZTWBUXUDLEK-UHFFFAOYSA-N 2 2 413.418 4.266 20 0 HIADLP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cn1cc[nH+]c1 ZINC000512036336 920808688 /nfs/dbraw/zinc/80/86/88/920808688.db2.gz HFPXVOYYABCDQC-STQMWFEESA-N 2 2 402.848 4.198 20 0 HIADLP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(Br)c1 ZINC000512102383 920861519 /nfs/dbraw/zinc/86/15/19/920861519.db2.gz ZRRURTIDGRFXEL-UHFFFAOYSA-N 2 2 403.364 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512257774 921016054 /nfs/dbraw/zinc/01/60/54/921016054.db2.gz DAHUZKFTQJEFOT-JLRUASKGSA-N 2 2 423.626 4.398 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512257774 921016068 /nfs/dbraw/zinc/01/60/68/921016068.db2.gz DAHUZKFTQJEFOT-JLRUASKGSA-N 2 2 423.626 4.398 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512257774 921016081 /nfs/dbraw/zinc/01/60/81/921016081.db2.gz DAHUZKFTQJEFOT-JLRUASKGSA-N 2 2 423.626 4.398 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512257774 921016093 /nfs/dbraw/zinc/01/60/93/921016093.db2.gz DAHUZKFTQJEFOT-JLRUASKGSA-N 2 2 423.626 4.398 20 0 HIADLP CN(c1ccccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000513491337 921844148 /nfs/dbraw/zinc/84/41/48/921844148.db2.gz SUZNRJVPYAURKW-UHFFFAOYSA-N 3 2 420.645 4.313 20 0 HIADLP CN(c1ccccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000513491337 921844151 /nfs/dbraw/zinc/84/41/51/921844151.db2.gz SUZNRJVPYAURKW-UHFFFAOYSA-N 3 2 420.645 4.313 20 0 HIADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000513786738 922112976 /nfs/dbraw/zinc/11/29/76/922112976.db2.gz MLQKDNMBBQQGAG-JOCHJYFZSA-N 2 2 406.574 4.150 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c2ccccc21 ZINC000514753658 922783426 /nfs/dbraw/zinc/78/34/26/922783426.db2.gz HUGRQPJSSCAMNE-SFHVURJKSA-N 2 2 421.516 4.100 20 0 HIADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000515189940 922978848 /nfs/dbraw/zinc/97/88/48/922978848.db2.gz VZSXTQHLHWUTKD-GBXCKJPGSA-N 2 2 423.601 4.105 20 0 HIADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000515189940 922978866 /nfs/dbraw/zinc/97/88/66/922978866.db2.gz VZSXTQHLHWUTKD-GBXCKJPGSA-N 2 2 423.601 4.105 20 0 HIADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000515189942 922979786 /nfs/dbraw/zinc/97/97/86/922979786.db2.gz VZSXTQHLHWUTKD-RDPSFJRHSA-N 2 2 423.601 4.105 20 0 HIADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000515189942 922979804 /nfs/dbraw/zinc/97/98/04/922979804.db2.gz VZSXTQHLHWUTKD-RDPSFJRHSA-N 2 2 423.601 4.105 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000515522230 923153346 /nfs/dbraw/zinc/15/33/46/923153346.db2.gz CGNFZPRZTQLILY-DFIYOIEZSA-N 2 2 405.586 4.274 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000515522230 923153360 /nfs/dbraw/zinc/15/33/60/923153360.db2.gz CGNFZPRZTQLILY-DFIYOIEZSA-N 2 2 405.586 4.274 20 0 HIADLP CC1CC[NH+](Cc2ccc(-c3noc(-c4cc(-n5cc[nH+]c5)ccn4)n3)cc2)CC1 ZINC000516114496 923550110 /nfs/dbraw/zinc/55/01/10/923550110.db2.gz JGXUSYCBVIUJRZ-UHFFFAOYSA-N 2 2 400.486 4.216 20 0 HIADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000516621442 923820370 /nfs/dbraw/zinc/82/03/70/923820370.db2.gz PKHHTWURKIRDEA-IAGOWNOFSA-N 2 2 407.628 4.007 20 0 HIADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000516621442 923820375 /nfs/dbraw/zinc/82/03/75/923820375.db2.gz PKHHTWURKIRDEA-IAGOWNOFSA-N 2 2 407.628 4.007 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)n2)C1 ZINC000516621442 923820380 /nfs/dbraw/zinc/82/03/80/923820380.db2.gz PKHHTWURKIRDEA-IAGOWNOFSA-N 2 2 407.628 4.007 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)n2)C1 ZINC000516621442 923820389 /nfs/dbraw/zinc/82/03/89/923820389.db2.gz PKHHTWURKIRDEA-IAGOWNOFSA-N 2 2 407.628 4.007 20 0 HIADLP Cc1cc([C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)c2cccnc2)ccc1F ZINC000517429327 924178576 /nfs/dbraw/zinc/17/85/76/924178576.db2.gz RVUHAQOSZJSVET-DEOSSOPVSA-N 2 2 408.521 4.134 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000517686639 926789944 /nfs/dbraw/zinc/78/99/44/926789944.db2.gz DNYQHNYRYFWGSI-FQEVSTJZSA-N 2 2 417.557 4.246 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000517686639 926789953 /nfs/dbraw/zinc/78/99/53/926789953.db2.gz DNYQHNYRYFWGSI-FQEVSTJZSA-N 2 2 417.557 4.246 20 0 HIADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 ZINC000518272791 927130297 /nfs/dbraw/zinc/13/02/97/927130297.db2.gz PSYHTYGINRRAOE-SZPZYZBQSA-N 2 2 418.585 4.187 20 0 HIADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 ZINC000518272791 927130326 /nfs/dbraw/zinc/13/03/26/927130326.db2.gz PSYHTYGINRRAOE-SZPZYZBQSA-N 2 2 418.585 4.187 20 0 HIADLP CC(C)[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[NH+]1CCCCC1 ZINC000519084393 927759195 /nfs/dbraw/zinc/75/91/95/927759195.db2.gz YPGSLMDAMMEDDX-NRFANRHFSA-N 2 2 412.603 4.150 20 0 HIADLP CC(C)[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[NH+]1CCCCC1 ZINC000519084393 927759204 /nfs/dbraw/zinc/75/92/04/927759204.db2.gz YPGSLMDAMMEDDX-NRFANRHFSA-N 2 2 412.603 4.150 20 0 HIADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000519206020 927827126 /nfs/dbraw/zinc/82/71/26/927827126.db2.gz JNCKESCGVRSEJB-PXNSSMCTSA-N 2 2 424.992 4.036 20 0 HIADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000519206020 927827127 /nfs/dbraw/zinc/82/71/27/927827127.db2.gz JNCKESCGVRSEJB-PXNSSMCTSA-N 2 2 424.992 4.036 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000519261968 927854019 /nfs/dbraw/zinc/85/40/19/927854019.db2.gz KASAGGQDKKSSOR-SFHVURJKSA-N 2 2 419.639 4.105 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000519261968 927854022 /nfs/dbraw/zinc/85/40/22/927854022.db2.gz KASAGGQDKKSSOR-SFHVURJKSA-N 2 2 419.639 4.105 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000519506689 928000076 /nfs/dbraw/zinc/00/00/76/928000076.db2.gz GOLNUGMDPFXVKO-NBGIEHNGSA-N 2 2 405.542 4.392 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000519506689 928000086 /nfs/dbraw/zinc/00/00/86/928000086.db2.gz GOLNUGMDPFXVKO-NBGIEHNGSA-N 2 2 405.542 4.392 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668680 928042578 /nfs/dbraw/zinc/04/25/78/928042578.db2.gz JPAQAHTWYYUUBV-MJGOQNOKSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668680 928042586 /nfs/dbraw/zinc/04/25/86/928042586.db2.gz JPAQAHTWYYUUBV-MJGOQNOKSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668680 928042598 /nfs/dbraw/zinc/04/25/98/928042598.db2.gz JPAQAHTWYYUUBV-MJGOQNOKSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668680 928042621 /nfs/dbraw/zinc/04/26/21/928042621.db2.gz JPAQAHTWYYUUBV-MJGOQNOKSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc([C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)[NH+]2CCCC2)cc1 ZINC000519936790 928172164 /nfs/dbraw/zinc/17/21/64/928172164.db2.gz RGRKXCLJSMIGQY-BJKOFHAPSA-N 2 2 423.626 4.038 20 0 HIADLP Brc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1OCc1ccccc1 ZINC000520463093 928579416 /nfs/dbraw/zinc/57/94/16/928579416.db2.gz QGGFEFQIUJXCKH-KRWDZBQOSA-N 2 2 412.331 4.398 20 0 HIADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000520544218 928632023 /nfs/dbraw/zinc/63/20/23/928632023.db2.gz QUFOZODOOLUXPK-UHFFFAOYSA-N 2 2 423.605 4.126 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000521836593 929488523 /nfs/dbraw/zinc/48/85/23/929488523.db2.gz NSEZZWVPMTWVFR-IMSXRSKXSA-N 2 2 421.585 4.147 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000521836593 929488542 /nfs/dbraw/zinc/48/85/42/929488542.db2.gz NSEZZWVPMTWVFR-IMSXRSKXSA-N 2 2 421.585 4.147 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000521836593 929488565 /nfs/dbraw/zinc/48/85/65/929488565.db2.gz NSEZZWVPMTWVFR-IMSXRSKXSA-N 2 2 421.585 4.147 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000521836593 929488572 /nfs/dbraw/zinc/48/85/72/929488572.db2.gz NSEZZWVPMTWVFR-IMSXRSKXSA-N 2 2 421.585 4.147 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1C ZINC000521892616 929540481 /nfs/dbraw/zinc/54/04/81/929540481.db2.gz LKEDXSXAMVTRCW-IBGZPJMESA-N 2 2 424.589 4.423 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1C ZINC000521892616 929540492 /nfs/dbraw/zinc/54/04/92/929540492.db2.gz LKEDXSXAMVTRCW-IBGZPJMESA-N 2 2 424.589 4.423 20 0 HIADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1OCC(F)(F)F ZINC000531691796 931156074 /nfs/dbraw/zinc/15/60/74/931156074.db2.gz HBKLTURVKKMKOQ-APWZRJJASA-N 2 2 423.479 4.032 20 0 HIADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1OCC(F)(F)F ZINC000531691796 931156080 /nfs/dbraw/zinc/15/60/80/931156080.db2.gz HBKLTURVKKMKOQ-APWZRJJASA-N 2 2 423.479 4.032 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000531710729 931168697 /nfs/dbraw/zinc/16/86/97/931168697.db2.gz VNIOGUXPMOJEOW-GHTZIAJQSA-N 2 2 403.517 4.236 20 0 HIADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000531709579 931168927 /nfs/dbraw/zinc/16/89/27/931168927.db2.gz VHBYXHFUHXGTBY-HNNXBMFYSA-N 2 2 405.340 4.043 20 0 HIADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000531711472 931170104 /nfs/dbraw/zinc/17/01/04/931170104.db2.gz IAWZSDKTBWDABX-HNNXBMFYSA-N 2 2 413.319 4.142 20 0 HIADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000532222420 931360511 /nfs/dbraw/zinc/36/05/11/931360511.db2.gz YVWHBULAIZTNJG-HNNXBMFYSA-N 2 2 413.319 4.142 20 0 HIADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000532296685 931389153 /nfs/dbraw/zinc/38/91/53/931389153.db2.gz YVKLBABQQSUMRN-UHFFFAOYSA-N 3 2 421.564 4.142 20 0 HIADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000532449886 931439549 /nfs/dbraw/zinc/43/95/49/931439549.db2.gz WHCMVVORCPXOJR-INIZCTEOSA-N 2 2 416.447 4.457 20 0 HIADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 ZINC000532477783 931453746 /nfs/dbraw/zinc/45/37/46/931453746.db2.gz VVGQUVYZRJLTJX-UHFFFAOYSA-N 2 2 422.545 4.081 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(OCc4ccncc4)cc3)[nH+]c2)CC1 ZINC000532675175 931578666 /nfs/dbraw/zinc/57/86/66/931578666.db2.gz YLWXUGSUHJDUSR-UHFFFAOYSA-N 2 2 417.557 4.198 20 0 HIADLP O=C(CC[NH+]1CCCCC1)Nc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000532729257 931614476 /nfs/dbraw/zinc/61/44/76/931614476.db2.gz GEILTZCWOWNZQR-UHFFFAOYSA-N 2 2 403.530 4.299 20 0 HIADLP CC[N@H+](Cc1ccc2c(c1)OCCO2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073024 931763504 /nfs/dbraw/zinc/76/35/04/931763504.db2.gz PGFQKNJRWYNHHQ-UHFFFAOYSA-N 2 2 410.562 4.171 20 0 HIADLP CC[N@@H+](Cc1ccc2c(c1)OCCO2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073024 931763508 /nfs/dbraw/zinc/76/35/08/931763508.db2.gz PGFQKNJRWYNHHQ-UHFFFAOYSA-N 2 2 410.562 4.171 20 0 HIADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000533290001 931829040 /nfs/dbraw/zinc/82/90/40/931829040.db2.gz KNHCAJRMFITOIY-ISKFKSNPSA-N 2 2 413.606 4.089 20 0 HIADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000533290001 931829041 /nfs/dbraw/zinc/82/90/41/931829041.db2.gz KNHCAJRMFITOIY-ISKFKSNPSA-N 2 2 413.606 4.089 20 0 HIADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000533290003 931829278 /nfs/dbraw/zinc/82/92/78/931829278.db2.gz KNHCAJRMFITOIY-UPVQGACJSA-N 2 2 413.606 4.089 20 0 HIADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000533290003 931829280 /nfs/dbraw/zinc/82/92/80/931829280.db2.gz KNHCAJRMFITOIY-UPVQGACJSA-N 2 2 413.606 4.089 20 0 HIADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000534058677 932236197 /nfs/dbraw/zinc/23/61/97/932236197.db2.gz FCBRPBRRWGLACN-HXUWFJFHSA-N 2 2 419.338 4.198 20 0 HIADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000534058676 932236535 /nfs/dbraw/zinc/23/65/35/932236535.db2.gz FCBRPBRRWGLACN-FQEVSTJZSA-N 2 2 419.338 4.198 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534206382 932331568 /nfs/dbraw/zinc/33/15/68/932331568.db2.gz CNSQYROXDDVGLP-XZOQPEGZSA-N 2 2 416.610 4.195 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534206382 932331573 /nfs/dbraw/zinc/33/15/73/932331573.db2.gz CNSQYROXDDVGLP-XZOQPEGZSA-N 2 2 416.610 4.195 20 0 HIADLP C[C@H](SCc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360274 932394093 /nfs/dbraw/zinc/39/40/93/932394093.db2.gz MPBNZCGHXZRPER-AJSBUHFISA-N 2 2 417.663 4.104 20 0 HIADLP C[C@H](SCc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360274 932394096 /nfs/dbraw/zinc/39/40/96/932394096.db2.gz MPBNZCGHXZRPER-AJSBUHFISA-N 2 2 417.663 4.104 20 0 HIADLP CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359935 932394257 /nfs/dbraw/zinc/39/42/57/932394257.db2.gz KIHWIBXXHSCRSL-ODAXIHTASA-N 2 2 418.025 4.239 20 0 HIADLP CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359935 932394261 /nfs/dbraw/zinc/39/42/61/932394261.db2.gz KIHWIBXXHSCRSL-ODAXIHTASA-N 2 2 418.025 4.239 20 0 HIADLP Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc21 ZINC000534360893 932395274 /nfs/dbraw/zinc/39/52/74/932395274.db2.gz RSEYIKZQIRBMFW-PKTZIBPZSA-N 2 2 414.569 4.025 20 0 HIADLP Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc21 ZINC000534360893 932395284 /nfs/dbraw/zinc/39/52/84/932395284.db2.gz RSEYIKZQIRBMFW-PKTZIBPZSA-N 2 2 414.569 4.025 20 0 HIADLP CN(C(=O)c1csc2c1CCCC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361019 932395378 /nfs/dbraw/zinc/39/53/78/932395378.db2.gz AZWZYSPTYLMYMB-RTWAWAEBSA-N 2 2 403.636 4.036 20 0 HIADLP CN(C(=O)c1csc2c1CCCC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361019 932395382 /nfs/dbraw/zinc/39/53/82/932395382.db2.gz AZWZYSPTYLMYMB-RTWAWAEBSA-N 2 2 403.636 4.036 20 0 HIADLP CN(C(=O)N[C@H](c1ccccc1)C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375885 932404449 /nfs/dbraw/zinc/40/44/49/932404449.db2.gz OGEPNNNRJKBSTF-WXFUMESZSA-N 2 2 412.622 4.116 20 0 HIADLP CN(C(=O)N[C@H](c1ccccc1)C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375885 932404454 /nfs/dbraw/zinc/40/44/54/932404454.db2.gz OGEPNNNRJKBSTF-WXFUMESZSA-N 2 2 412.622 4.116 20 0 HIADLP C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534384437 932410479 /nfs/dbraw/zinc/41/04/79/932410479.db2.gz IJIPSLQJGJETDD-NVXDSCFRSA-N 2 2 414.638 4.157 20 0 HIADLP C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534384437 932410484 /nfs/dbraw/zinc/41/04/84/932410484.db2.gz IJIPSLQJGJETDD-NVXDSCFRSA-N 2 2 414.638 4.157 20 0 HIADLP Cc1cc(C)cc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534385129 932411508 /nfs/dbraw/zinc/41/15/08/932411508.db2.gz NVVZOACIQXPIBW-NKKJXINNSA-N 2 2 414.638 4.343 20 0 HIADLP Cc1cc(C)cc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534385129 932411511 /nfs/dbraw/zinc/41/15/11/932411511.db2.gz NVVZOACIQXPIBW-NKKJXINNSA-N 2 2 414.638 4.343 20 0 HIADLP C[C@@H]1CCc2sc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2C1 ZINC000535093595 932905649 /nfs/dbraw/zinc/90/56/49/932905649.db2.gz CWCMXHBORSJLDM-DUXKGJEZSA-N 2 2 417.663 4.282 20 0 HIADLP C[C@@H]1CCc2sc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2C1 ZINC000535093595 932905657 /nfs/dbraw/zinc/90/56/57/932905657.db2.gz CWCMXHBORSJLDM-DUXKGJEZSA-N 2 2 417.663 4.282 20 0 HIADLP CCn1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000535094236 932908074 /nfs/dbraw/zinc/90/80/74/932908074.db2.gz JGGUUOJENQHLAM-ZEQRLZLVSA-N 2 2 410.606 4.070 20 0 HIADLP CCn1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000535094236 932908085 /nfs/dbraw/zinc/90/80/85/932908085.db2.gz JGGUUOJENQHLAM-ZEQRLZLVSA-N 2 2 410.606 4.070 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)cc1F ZINC000535095010 932908745 /nfs/dbraw/zinc/90/87/45/932908745.db2.gz JNTYDKASZWALQW-LEWJYISDSA-N 2 2 409.977 4.197 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)cc1F ZINC000535095010 932908755 /nfs/dbraw/zinc/90/87/55/932908755.db2.gz JNTYDKASZWALQW-LEWJYISDSA-N 2 2 409.977 4.197 20 0 HIADLP CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095907 932909959 /nfs/dbraw/zinc/90/99/59/932909959.db2.gz LKXDEXQTOQZNFN-FGZHOGPDSA-N 2 2 416.997 4.231 20 0 HIADLP CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095907 932909965 /nfs/dbraw/zinc/90/99/65/932909965.db2.gz LKXDEXQTOQZNFN-FGZHOGPDSA-N 2 2 416.997 4.231 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095676 932910652 /nfs/dbraw/zinc/91/06/52/932910652.db2.gz ROODRMJQFOWBAM-OALUTQOASA-N 2 2 412.043 4.130 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095676 932910668 /nfs/dbraw/zinc/91/06/68/932910668.db2.gz ROODRMJQFOWBAM-OALUTQOASA-N 2 2 412.043 4.130 20 0 HIADLP CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096572 932912805 /nfs/dbraw/zinc/91/28/05/932912805.db2.gz SLAVCJSMMHWYCP-WOJBJXKFSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096572 932912810 /nfs/dbraw/zinc/91/28/10/932912810.db2.gz SLAVCJSMMHWYCP-WOJBJXKFSA-N 2 2 412.405 4.403 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccccc1 ZINC000535324006 933073046 /nfs/dbraw/zinc/07/30/46/933073046.db2.gz AVRYUNZZMKRUEC-QFIPXVFZSA-N 2 2 401.514 4.026 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)[C@H](C)C1 ZINC000535509203 933204057 /nfs/dbraw/zinc/20/40/57/933204057.db2.gz XAKLFDDYJFYXNH-CCKFTAQKSA-N 2 2 413.375 4.302 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2c(Br)ccc3F)[C@H](C)C1 ZINC000535509203 933204061 /nfs/dbraw/zinc/20/40/61/933204061.db2.gz XAKLFDDYJFYXNH-CCKFTAQKSA-N 2 2 413.375 4.302 20 0 HIADLP CC(C)Oc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535646883 933287078 /nfs/dbraw/zinc/28/70/78/933287078.db2.gz MKULSMLXGVFNRQ-FCHUYYIVSA-N 2 2 416.610 4.275 20 0 HIADLP CC(C)Oc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535646883 933287098 /nfs/dbraw/zinc/28/70/98/933287098.db2.gz MKULSMLXGVFNRQ-FCHUYYIVSA-N 2 2 416.610 4.275 20 0 HIADLP CO[C@H](C)c1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535653536 933295672 /nfs/dbraw/zinc/29/56/72/933295672.db2.gz BJKNKNRRFXGYHK-SXSPYAJSSA-N 2 2 416.610 4.195 20 0 HIADLP CO[C@H](C)c1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535653536 933295688 /nfs/dbraw/zinc/29/56/88/933295688.db2.gz BJKNKNRRFXGYHK-SXSPYAJSSA-N 2 2 416.610 4.195 20 0 HIADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)cc1F ZINC000535681261 933333172 /nfs/dbraw/zinc/33/31/72/933333172.db2.gz NLCACSMVUFQCCQ-UHFFFAOYSA-N 2 2 408.308 4.065 20 0 HIADLP CCc1cccc2c(CC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535849424 933430847 /nfs/dbraw/zinc/43/08/47/933430847.db2.gz AZJMKPBXVAPGAF-BJKOFHAPSA-N 2 2 424.633 4.068 20 0 HIADLP CCc1cccc2c(CC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535849424 933430853 /nfs/dbraw/zinc/43/08/53/933430853.db2.gz AZJMKPBXVAPGAF-BJKOFHAPSA-N 2 2 424.633 4.068 20 0 HIADLP CN(C(=O)c1cc2c(s1)CCCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851563 933433898 /nfs/dbraw/zinc/43/38/98/933433898.db2.gz GPMKMRXHELXSAI-PMACEKPBSA-N 2 2 403.636 4.036 20 0 HIADLP CN(C(=O)c1cc2c(s1)CCCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851563 933433900 /nfs/dbraw/zinc/43/39/00/933433900.db2.gz GPMKMRXHELXSAI-PMACEKPBSA-N 2 2 403.636 4.036 20 0 HIADLP Cc1ccc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535866285 933449140 /nfs/dbraw/zinc/44/91/40/933449140.db2.gz JRJQZJTYJJSDHF-AGILITTLSA-N 2 2 414.638 4.077 20 0 HIADLP Cc1ccc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535866285 933449144 /nfs/dbraw/zinc/44/91/44/933449144.db2.gz JRJQZJTYJJSDHF-AGILITTLSA-N 2 2 414.638 4.077 20 0 HIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000537457119 933781551 /nfs/dbraw/zinc/78/15/51/933781551.db2.gz GGGGHPUUSCKKGW-MAUKXSAKSA-N 2 2 408.468 4.336 20 0 HIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000537619399 938335505 /nfs/dbraw/zinc/33/55/05/938335505.db2.gz BRBURCOHMBDMFX-QGZVFWFLSA-N 2 2 405.384 4.107 20 0 HIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000537619399 938335509 /nfs/dbraw/zinc/33/55/09/938335509.db2.gz BRBURCOHMBDMFX-QGZVFWFLSA-N 2 2 405.384 4.107 20 0 HIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000537619399 938335514 /nfs/dbraw/zinc/33/55/14/938335514.db2.gz BRBURCOHMBDMFX-QGZVFWFLSA-N 2 2 405.384 4.107 20 0 HIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000537619399 938335517 /nfs/dbraw/zinc/33/55/17/938335517.db2.gz BRBURCOHMBDMFX-QGZVFWFLSA-N 2 2 405.384 4.107 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000537620054 938335992 /nfs/dbraw/zinc/33/59/92/938335992.db2.gz OQSXZXIHSKNYFM-UHFFFAOYSA-N 3 2 415.519 4.473 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000537620054 938335995 /nfs/dbraw/zinc/33/59/95/938335995.db2.gz OQSXZXIHSKNYFM-UHFFFAOYSA-N 3 2 415.519 4.473 20 0 HIADLP CCCC(=O)Nc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000537748806 938368788 /nfs/dbraw/zinc/36/87/88/938368788.db2.gz SOGGNXQHIRASTL-UHFFFAOYSA-N 2 2 414.981 4.120 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538003517 938458700 /nfs/dbraw/zinc/45/87/00/938458700.db2.gz ZQEZEQLQKROWJZ-SFTDATJTSA-N 2 2 418.944 4.498 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538003517 938458705 /nfs/dbraw/zinc/45/87/05/938458705.db2.gz ZQEZEQLQKROWJZ-SFTDATJTSA-N 2 2 418.944 4.498 20 0 HIADLP CCC(CC)[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000538177127 938538012 /nfs/dbraw/zinc/53/80/12/938538012.db2.gz QKAMJJUPRJLGSS-HSZRJFAPSA-N 2 2 415.603 4.286 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1c(F)cccc1Cl ZINC000538275393 938581118 /nfs/dbraw/zinc/58/11/18/938581118.db2.gz CZZMKAZUPCTTIV-OAHLLOKOSA-N 2 2 421.969 4.317 20 0 HIADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)oc21 ZINC000538395057 938610200 /nfs/dbraw/zinc/61/02/00/938610200.db2.gz XHEFIBJENAUTSC-YUXAGFNASA-N 2 2 408.542 4.365 20 0 HIADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)oc21 ZINC000538395057 938610202 /nfs/dbraw/zinc/61/02/02/938610202.db2.gz XHEFIBJENAUTSC-YUXAGFNASA-N 2 2 408.542 4.365 20 0 HIADLP c1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799528 938715447 /nfs/dbraw/zinc/71/54/47/938715447.db2.gz JTWVTYQPKJPYGD-OFVILXPXSA-N 2 2 413.569 4.383 20 0 HIADLP c1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799528 938715449 /nfs/dbraw/zinc/71/54/49/938715449.db2.gz JTWVTYQPKJPYGD-OFVILXPXSA-N 2 2 413.569 4.383 20 0 HIADLP c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799528 938715450 /nfs/dbraw/zinc/71/54/50/938715450.db2.gz JTWVTYQPKJPYGD-OFVILXPXSA-N 2 2 413.569 4.383 20 0 HIADLP c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799528 938715451 /nfs/dbraw/zinc/71/54/51/938715451.db2.gz JTWVTYQPKJPYGD-OFVILXPXSA-N 2 2 413.569 4.383 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(CC[NH+]4CCCC4)c3)cn2c1 ZINC000538806944 938717772 /nfs/dbraw/zinc/71/77/72/938717772.db2.gz AZIANCVCARYZOY-UHFFFAOYSA-N 2 2 408.571 4.153 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)Nc1cc(C[NH+](C)C)ccn1)c1cccc(C(F)(F)F)c1 ZINC000538822651 938720409 /nfs/dbraw/zinc/72/04/09/938720409.db2.gz XWQPFXDYUUKBKY-LJQANCHMSA-N 2 2 408.468 4.184 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c(C)c1 ZINC000539050225 938783264 /nfs/dbraw/zinc/78/32/64/938783264.db2.gz HLANKYXSOHJUAP-DYESRHJHSA-N 2 2 415.534 4.135 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128258 938807705 /nfs/dbraw/zinc/80/77/05/938807705.db2.gz QMBAIBWYYYCRJB-LEWJYISDSA-N 2 2 403.929 4.106 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539128258 938807706 /nfs/dbraw/zinc/80/77/06/938807706.db2.gz QMBAIBWYYYCRJB-LEWJYISDSA-N 2 2 403.929 4.106 20 0 HIADLP COC[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)c(F)c1 ZINC000539307818 938838284 /nfs/dbraw/zinc/83/82/84/938838284.db2.gz ALBJNBCGODYWGQ-SAHWJRBASA-N 2 2 404.501 4.051 20 0 HIADLP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(F)c(F)c1 ZINC000539307818 938838285 /nfs/dbraw/zinc/83/82/85/938838285.db2.gz ALBJNBCGODYWGQ-SAHWJRBASA-N 2 2 404.501 4.051 20 0 HIADLP Cc1c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cnn1-c1ccc(F)cc1 ZINC000539658518 938895545 /nfs/dbraw/zinc/89/55/45/938895545.db2.gz AVGKFTBYGSYUKU-IERDGZPVSA-N 2 2 408.525 4.028 20 0 HIADLP COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000539832396 938951890 /nfs/dbraw/zinc/95/18/90/938951890.db2.gz TYNMSLFHBRTSBR-VWLOTQADSA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000539832396 938951897 /nfs/dbraw/zinc/95/18/97/938951897.db2.gz TYNMSLFHBRTSBR-VWLOTQADSA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(OC)c(OC)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000539832396 938951900 /nfs/dbraw/zinc/95/19/00/938951900.db2.gz TYNMSLFHBRTSBR-VWLOTQADSA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(OC)c(OC)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000539832396 938951904 /nfs/dbraw/zinc/95/19/04/938951904.db2.gz TYNMSLFHBRTSBR-VWLOTQADSA-N 2 2 410.558 4.201 20 0 HIADLP COc1c(Br)cc(Br)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000539835049 938952930 /nfs/dbraw/zinc/95/29/30/938952930.db2.gz RKRVOUKTRBRXPE-RISCZKNCSA-N 2 2 420.189 4.135 20 0 HIADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000539835049 938952933 /nfs/dbraw/zinc/95/29/33/938952933.db2.gz RKRVOUKTRBRXPE-RISCZKNCSA-N 2 2 420.189 4.135 20 0 HIADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000539835049 938952937 /nfs/dbraw/zinc/95/29/37/938952937.db2.gz RKRVOUKTRBRXPE-RISCZKNCSA-N 2 2 420.189 4.135 20 0 HIADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000539835049 938952939 /nfs/dbraw/zinc/95/29/39/938952939.db2.gz RKRVOUKTRBRXPE-RISCZKNCSA-N 2 2 420.189 4.135 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540316799 939191804 /nfs/dbraw/zinc/19/18/04/939191804.db2.gz RPBJIJRVRVKGID-NHCUHLMSSA-N 2 2 403.929 4.106 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540316799 939191808 /nfs/dbraw/zinc/19/18/08/939191808.db2.gz RPBJIJRVRVKGID-NHCUHLMSSA-N 2 2 403.929 4.106 20 0 HIADLP CC[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccccc1OC(F)F ZINC000540352995 939204363 /nfs/dbraw/zinc/20/43/63/939204363.db2.gz UZOZZFHGNFYOEE-MRXNPFEDSA-N 2 2 424.517 4.020 20 0 HIADLP CCC(CC)n1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)n1 ZINC000540408129 939237508 /nfs/dbraw/zinc/23/75/08/939237508.db2.gz QIKJJQWYAGELRL-SFHVURJKSA-N 2 2 401.574 4.376 20 0 HIADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000540418393 939241349 /nfs/dbraw/zinc/24/13/49/939241349.db2.gz ZQUDKMDJARAHBK-ZEQRLZLVSA-N 2 2 423.582 4.044 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000540454833 939257953 /nfs/dbraw/zinc/25/79/53/939257953.db2.gz VNSJARNZBGEZGM-UHFFFAOYSA-N 2 2 417.903 4.039 20 0 HIADLP C[C@H](CC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000540494681 939274420 /nfs/dbraw/zinc/27/44/20/939274420.db2.gz HDQRYNJFISTBKU-ZJSXRUAMSA-N 3 2 407.602 4.475 20 0 HIADLP C[C@H](CC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000540494681 939274430 /nfs/dbraw/zinc/27/44/30/939274430.db2.gz HDQRYNJFISTBKU-ZJSXRUAMSA-N 3 2 407.602 4.475 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000540756036 939361221 /nfs/dbraw/zinc/36/12/21/939361221.db2.gz AWDIEGDFSKVYFG-DNVCBOLYSA-N 2 2 408.575 4.222 20 0 HIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)c(F)c1 ZINC000540757028 939361438 /nfs/dbraw/zinc/36/14/38/939361438.db2.gz FPTDBYSKMTVIBZ-CJNGLKHVSA-N 2 2 407.331 4.297 20 0 HIADLP Cn1cccc1[C@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@@H]2c2cccn2C)COC1 ZINC000541073163 939450854 /nfs/dbraw/zinc/45/08/54/939450854.db2.gz ZRLORXPSSNOMMT-DNQXCXABSA-N 2 2 410.606 4.134 20 0 HIADLP Cn1cccc1[C@H]1CCCC[NH+]1CC1(C[N@@H+]2CCCC[C@@H]2c2cccn2C)COC1 ZINC000541073163 939450857 /nfs/dbraw/zinc/45/08/57/939450857.db2.gz ZRLORXPSSNOMMT-DNQXCXABSA-N 2 2 410.606 4.134 20 0 HIADLP CN(C(=O)Nc1ccc(-c2ccc[nH]2)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541449933 939519386 /nfs/dbraw/zinc/51/93/86/939519386.db2.gz PFOGUCZJDRMAPG-DNQXCXABSA-N 2 2 423.605 4.483 20 0 HIADLP CN(C(=O)Nc1ccc(-c2ccc[nH]2)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541449933 939519387 /nfs/dbraw/zinc/51/93/87/939519387.db2.gz PFOGUCZJDRMAPG-DNQXCXABSA-N 2 2 423.605 4.483 20 0 HIADLP C[C@@H]([NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000563698732 945256480 /nfs/dbraw/zinc/25/64/80/945256480.db2.gz SNGGTBQCZFJAFT-HXOBKFHXSA-N 2 2 407.558 4.141 20 0 HIADLP C[C@@H]([NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000563698732 945256495 /nfs/dbraw/zinc/25/64/95/945256495.db2.gz SNGGTBQCZFJAFT-HXOBKFHXSA-N 2 2 407.558 4.141 20 0 HIADLP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600498 939564436 /nfs/dbraw/zinc/56/44/36/939564436.db2.gz JRDSQDCQQSAJFW-KEJFTWOCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600498 939564439 /nfs/dbraw/zinc/56/44/39/939564439.db2.gz JRDSQDCQQSAJFW-KEJFTWOCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600498 939564441 /nfs/dbraw/zinc/56/44/41/939564441.db2.gz JRDSQDCQQSAJFW-KEJFTWOCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600498 939564444 /nfs/dbraw/zinc/56/44/44/939564444.db2.gz JRDSQDCQQSAJFW-KEJFTWOCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](NC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600498 939564446 /nfs/dbraw/zinc/56/44/46/939564446.db2.gz JRDSQDCQQSAJFW-KEJFTWOCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](NC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600498 939564449 /nfs/dbraw/zinc/56/44/49/939564449.db2.gz JRDSQDCQQSAJFW-KEJFTWOCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](NC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600498 939564451 /nfs/dbraw/zinc/56/44/51/939564451.db2.gz JRDSQDCQQSAJFW-KEJFTWOCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](NC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600498 939564454 /nfs/dbraw/zinc/56/44/54/939564454.db2.gz JRDSQDCQQSAJFW-KEJFTWOCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@H](CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600498 939564457 /nfs/dbraw/zinc/56/44/57/939564457.db2.gz JRDSQDCQQSAJFW-KEJFTWOCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600498 939564461 /nfs/dbraw/zinc/56/44/61/939564461.db2.gz JRDSQDCQQSAJFW-KEJFTWOCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600498 939564463 /nfs/dbraw/zinc/56/44/63/939564463.db2.gz JRDSQDCQQSAJFW-KEJFTWOCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600498 939564464 /nfs/dbraw/zinc/56/44/64/939564464.db2.gz JRDSQDCQQSAJFW-KEJFTWOCSA-N 3 2 418.714 4.108 20 0 HIADLP COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)c1 ZINC000541601582 939565161 /nfs/dbraw/zinc/56/51/61/939565161.db2.gz IPRVQNVJBGNHHM-QFBILLFUSA-N 2 2 413.587 4.339 20 0 HIADLP COC(=O)c1cccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)c1 ZINC000541601582 939565165 /nfs/dbraw/zinc/56/51/65/939565165.db2.gz IPRVQNVJBGNHHM-QFBILLFUSA-N 2 2 413.587 4.339 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542134873 939725445 /nfs/dbraw/zinc/72/54/45/939725445.db2.gz VWZDTAQCJXWHAQ-INIZCTEOSA-N 2 2 406.477 4.004 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c2)cc[nH+]1 ZINC000542569588 939844837 /nfs/dbraw/zinc/84/48/37/939844837.db2.gz PSXIOKUVZDCNDB-HXUWFJFHSA-N 2 2 421.570 4.026 20 0 HIADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458962 940068543 /nfs/dbraw/zinc/06/85/43/940068543.db2.gz LOEOBFHRKAYZFX-RYRKJORJSA-N 2 2 411.546 4.205 20 0 HIADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458962 940068548 /nfs/dbraw/zinc/06/85/48/940068548.db2.gz LOEOBFHRKAYZFX-RYRKJORJSA-N 2 2 411.546 4.205 20 0 HIADLP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1nc(C(C)(C)C)cs1 ZINC000543514046 940091922 /nfs/dbraw/zinc/09/19/22/940091922.db2.gz ZQBSHUNNBTZELP-KRWDZBQOSA-N 2 2 414.619 4.003 20 0 HIADLP O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000543769939 940180974 /nfs/dbraw/zinc/18/09/74/940180974.db2.gz NFYALUICAGZQON-AREMUKBSSA-N 2 2 419.613 4.301 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000543988688 940284712 /nfs/dbraw/zinc/28/47/12/940284712.db2.gz WTSFDLXSCLOQEH-MSOLQXFVSA-N 2 2 402.970 4.295 20 0 HIADLP CN(C(=O)c1cc2sccc2s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544036553 940306688 /nfs/dbraw/zinc/30/66/88/940306688.db2.gz YDGVYVMYHGQOQS-DLBZAZTESA-N 2 2 405.633 4.372 20 0 HIADLP CN(C(=O)c1cc2sccc2s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544036553 940306692 /nfs/dbraw/zinc/30/66/92/940306692.db2.gz YDGVYVMYHGQOQS-DLBZAZTESA-N 2 2 405.633 4.372 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000544198851 940351611 /nfs/dbraw/zinc/35/16/11/940351611.db2.gz FJWKAQIXVHVXHC-FYYLOGMGSA-N 2 2 408.590 4.221 20 0 HIADLP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1F ZINC000544259173 940371026 /nfs/dbraw/zinc/37/10/26/940371026.db2.gz UWKBCQQSIBBRNY-LJQANCHMSA-N 2 2 412.553 4.010 20 0 HIADLP CN(C)c1cc[nH+]cc1CNC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000544707258 940505111 /nfs/dbraw/zinc/50/51/11/940505111.db2.gz HQVLSDZMMTTXFF-UWJYYQICSA-N 2 2 406.496 4.339 20 0 HIADLP CN(C)c1cc[nH+]cc1CNC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000544707258 940505113 /nfs/dbraw/zinc/50/51/13/940505113.db2.gz HQVLSDZMMTTXFF-UWJYYQICSA-N 2 2 406.496 4.339 20 0 HIADLP CC[NH+](CC)CCOc1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1 ZINC000544955835 940528221 /nfs/dbraw/zinc/52/82/21/940528221.db2.gz VCSXVOBHCXKQBZ-UHFFFAOYSA-N 2 2 417.513 4.369 20 0 HIADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)CC3 ZINC000545191630 940555284 /nfs/dbraw/zinc/55/52/84/940555284.db2.gz WGYQFCRLKOJIHW-PXNSSMCTSA-N 2 2 404.558 4.244 20 0 HIADLP C[NH+](C)CCOc1ccccc1-c1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000545687338 940580681 /nfs/dbraw/zinc/58/06/81/940580681.db2.gz JDQXAPBGGYZOAM-FMIVXFBMSA-N 2 2 401.470 4.033 20 0 HIADLP Cc1ccc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(-c2ccnn2C)c1 ZINC000548984984 941138841 /nfs/dbraw/zinc/13/88/41/941138841.db2.gz WIKOWYTXJVNTHG-NRFANRHFSA-N 2 2 418.585 4.385 20 0 HIADLP CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549007644 941142426 /nfs/dbraw/zinc/14/24/26/941142426.db2.gz UDSMBSBNQBNIOZ-NDBXHCKUSA-N 2 2 411.634 4.148 20 0 HIADLP CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549007644 941142427 /nfs/dbraw/zinc/14/24/27/941142427.db2.gz UDSMBSBNQBNIOZ-NDBXHCKUSA-N 2 2 411.634 4.148 20 0 HIADLP CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000549944546 941244429 /nfs/dbraw/zinc/24/44/29/941244429.db2.gz GTYDIHJFDMSNOT-FKVLARQCSA-N 2 2 424.699 4.029 20 0 HIADLP CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000549944546 941244436 /nfs/dbraw/zinc/24/44/36/941244436.db2.gz GTYDIHJFDMSNOT-FKVLARQCSA-N 2 2 424.699 4.029 20 0 HIADLP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c[nH+]cn2c1 ZINC000550703594 941356072 /nfs/dbraw/zinc/35/60/72/941356072.db2.gz WOZCVMFDLQORPG-UHFFFAOYSA-N 2 2 403.313 4.036 20 0 HIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc3c2OCCO3)cc1 ZINC000552858813 941789677 /nfs/dbraw/zinc/78/96/77/941789677.db2.gz MLRGJGAFXUVMMX-UHFFFAOYSA-N 2 2 407.514 4.146 20 0 HIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc3c2OCCO3)cc1 ZINC000552858813 941789683 /nfs/dbraw/zinc/78/96/83/941789683.db2.gz MLRGJGAFXUVMMX-UHFFFAOYSA-N 2 2 407.514 4.146 20 0 HIADLP CN(C(=O)Nc1cccc(-n2cccc2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000553614933 941921880 /nfs/dbraw/zinc/92/18/80/941921880.db2.gz BCTWRLFRNXGHGV-DNQXCXABSA-N 2 2 423.605 4.278 20 0 HIADLP CN(C(=O)Nc1cccc(-n2cccc2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000553614933 941921883 /nfs/dbraw/zinc/92/18/83/941921883.db2.gz BCTWRLFRNXGHGV-DNQXCXABSA-N 2 2 423.605 4.278 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000554961091 942335277 /nfs/dbraw/zinc/33/52/77/942335277.db2.gz SHLQOFJWVPDPFP-CWKRKGSWSA-N 2 2 423.626 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000554961091 942335281 /nfs/dbraw/zinc/33/52/81/942335281.db2.gz SHLQOFJWVPDPFP-CWKRKGSWSA-N 2 2 423.626 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000554961091 942335286 /nfs/dbraw/zinc/33/52/86/942335286.db2.gz SHLQOFJWVPDPFP-CWKRKGSWSA-N 2 2 423.626 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000554961091 942335293 /nfs/dbraw/zinc/33/52/93/942335293.db2.gz SHLQOFJWVPDPFP-CWKRKGSWSA-N 2 2 423.626 4.254 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C[C@@H]1c1ccccc1 ZINC000559738806 944041206 /nfs/dbraw/zinc/04/12/06/944041206.db2.gz FNRPXFKHAHOUTA-LADGPHEKSA-N 2 2 400.526 4.259 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C[C@@H]1c1ccccc1 ZINC000559738806 944041215 /nfs/dbraw/zinc/04/12/15/944041215.db2.gz FNRPXFKHAHOUTA-LADGPHEKSA-N 2 2 400.526 4.259 20 0 HIADLP C[C@H]([NH2+][C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000559878517 944072790 /nfs/dbraw/zinc/07/27/90/944072790.db2.gz PIGUNDXDZYGYJF-BSRJHKFKSA-N 2 2 406.505 4.414 20 0 HIADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCCCn1cc[nH+]c1 ZINC000560495327 944237725 /nfs/dbraw/zinc/23/77/25/944237725.db2.gz LDQMYVPZFJRZTA-CYBMUJFWSA-N 2 2 402.848 4.342 20 0 HIADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000561207095 944514304 /nfs/dbraw/zinc/51/43/04/944514304.db2.gz UMTFHLOZSANGLI-OAQYLSRUSA-N 2 2 408.571 4.022 20 0 HIADLP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccccc1O2 ZINC000561224996 944519289 /nfs/dbraw/zinc/51/92/89/944519289.db2.gz VEWUUEGUSRRILT-QHCPKHFHSA-N 3 2 402.542 4.009 20 0 HIADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000565449107 945832677 /nfs/dbraw/zinc/83/26/77/945832677.db2.gz DBMCHLDMNACPRU-FQEVSTJZSA-N 2 2 401.489 4.357 20 0 HIADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000566997102 946209732 /nfs/dbraw/zinc/20/97/32/946209732.db2.gz UERFHPXEDGSCAK-RUZDIDTESA-N 2 2 419.569 4.355 20 0 HIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000571866994 947805927 /nfs/dbraw/zinc/80/59/27/947805927.db2.gz XGKYPTCHNNUSGF-DEOSSOPVSA-N 2 2 409.549 4.167 20 0 HIADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000573306132 948153678 /nfs/dbraw/zinc/15/36/78/948153678.db2.gz VCEPDEMRDDUAPY-XZOQPEGZSA-N 2 2 403.526 4.245 20 0 HIADLP O=C(CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(Br)c1 ZINC000574434646 948439781 /nfs/dbraw/zinc/43/97/81/948439781.db2.gz XNPSKETXSYBPDN-HXUWFJFHSA-N 2 2 416.363 4.204 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000576032735 948813518 /nfs/dbraw/zinc/81/35/18/948813518.db2.gz WYXGBDZQRQUOHK-UHFFFAOYSA-N 2 2 418.335 4.025 20 0 HIADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)cc(Cl)c1C)CC2 ZINC001164714905 720122974 /nfs/dbraw/zinc/12/29/74/720122974.db2.gz DYRFPRLWDKXIRB-FQEVSTJZSA-N 2 2 414.981 4.254 20 0 HIADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)cc(Cl)c1C)CC2 ZINC001164714905 720122981 /nfs/dbraw/zinc/12/29/81/720122981.db2.gz DYRFPRLWDKXIRB-FQEVSTJZSA-N 2 2 414.981 4.254 20 0 HIADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c2c(C)cccc12 ZINC001164838528 720513023 /nfs/dbraw/zinc/51/30/23/720513023.db2.gz ROBASVYZJPZOLY-FUPPJEDESA-N 2 2 403.574 4.426 20 0 HIADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c2c(C)cccc12 ZINC001164838528 720513032 /nfs/dbraw/zinc/51/30/32/720513032.db2.gz ROBASVYZJPZOLY-FUPPJEDESA-N 2 2 403.574 4.426 20 0 HIADLP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2cc(C4CC4)cc[nH+]2)C3)c1 ZINC001164757789 720894575 /nfs/dbraw/zinc/89/45/75/720894575.db2.gz VPJRCLLKZHWDGB-AZGAKELHSA-N 2 2 418.585 4.109 20 0 HIADLP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2cc(C4CC4)cc[nH+]2)C3)c1 ZINC001164757789 720894577 /nfs/dbraw/zinc/89/45/77/720894577.db2.gz VPJRCLLKZHWDGB-AZGAKELHSA-N 2 2 418.585 4.109 20 0 HIADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc(C2CCCCC2)[nH+]1 ZINC001164810543 721573175 /nfs/dbraw/zinc/57/31/75/721573175.db2.gz YRNHBFJYHWAWBB-LSQMVHIFSA-N 2 2 421.589 4.096 20 0 HIADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc(C2CCCCC2)[nH+]1 ZINC001164810543 721573176 /nfs/dbraw/zinc/57/31/76/721573176.db2.gz YRNHBFJYHWAWBB-LSQMVHIFSA-N 2 2 421.589 4.096 20 0 HIADLP Cc1ccc2c(C)cc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]c2c1C ZINC001164982774 722143694 /nfs/dbraw/zinc/14/36/94/722143694.db2.gz SHXUQSRFTJICBL-VWNXMTODSA-N 2 2 416.569 4.282 20 0 HIADLP Cc1ccc2c(C)cc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]c2c1C ZINC001164982774 722143695 /nfs/dbraw/zinc/14/36/95/722143695.db2.gz SHXUQSRFTJICBL-VWNXMTODSA-N 2 2 416.569 4.282 20 0 HIADLP Cc1sc2nc([C@@H](C)[NH2+]Cc3ccccc3C[NH+]3CCCCC3)[nH]c(=O)c2c1C ZINC000025702453 847022881 /nfs/dbraw/zinc/02/28/81/847022881.db2.gz DHCNZGIDOGEAGK-MRXNPFEDSA-N 2 2 410.587 4.438 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000436495935 861824495 /nfs/dbraw/zinc/82/44/95/861824495.db2.gz POTWNSZDRVFRIH-KRWDZBQOSA-N 2 2 413.541 4.171 20 0 HIADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038831767 848180697 /nfs/dbraw/zinc/18/06/97/848180697.db2.gz WWXMYDWQHBVHGM-UHFFFAOYSA-N 2 2 402.542 4.237 20 0 HIADLP Cc1cc(O)c(C(C)C)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436632179 861876223 /nfs/dbraw/zinc/87/62/23/861876223.db2.gz VRUNLBBZKKBJMD-PKTZIBPZSA-N 2 2 415.622 4.233 20 0 HIADLP Cc1cc(O)c(C(C)C)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436632179 861876225 /nfs/dbraw/zinc/87/62/25/861876225.db2.gz VRUNLBBZKKBJMD-PKTZIBPZSA-N 2 2 415.622 4.233 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000044533205 848566512 /nfs/dbraw/zinc/56/65/12/848566512.db2.gz WMBWWLUEEKUAFO-GFCCVEGCSA-N 2 2 420.189 4.042 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000044533205 848566518 /nfs/dbraw/zinc/56/65/18/848566518.db2.gz WMBWWLUEEKUAFO-GFCCVEGCSA-N 2 2 420.189 4.042 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000053187677 849676707 /nfs/dbraw/zinc/67/67/07/849676707.db2.gz ZSEXXFXYQHBEPZ-FQEVSTJZSA-N 2 2 402.542 4.236 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000053187677 849676718 /nfs/dbraw/zinc/67/67/18/849676718.db2.gz ZSEXXFXYQHBEPZ-FQEVSTJZSA-N 2 2 402.542 4.236 20 0 HIADLP CC[NH+](CC)CC1CC[NH+](Cc2csc(COc3ccc(OC)cc3)n2)CC1 ZINC000055059008 849965450 /nfs/dbraw/zinc/96/54/50/849965450.db2.gz LSKZFCWOAUSGDT-UHFFFAOYSA-N 2 2 403.592 4.285 20 0 HIADLP COc1cc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)ccc1O ZINC000436931978 862110656 /nfs/dbraw/zinc/11/06/56/862110656.db2.gz NNTQYNYZWATASI-RDJZCZTQSA-N 2 2 401.576 4.267 20 0 HIADLP COc1cc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)ccc1O ZINC000436931978 862110671 /nfs/dbraw/zinc/11/06/71/862110671.db2.gz NNTQYNYZWATASI-RDJZCZTQSA-N 2 2 401.576 4.267 20 0 HIADLP CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000060564219 851148338 /nfs/dbraw/zinc/14/83/38/851148338.db2.gz KYNOGMPFUSAUFQ-UHFFFAOYSA-N 2 2 419.529 4.006 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000065869311 852292463 /nfs/dbraw/zinc/29/24/63/852292463.db2.gz POCVSUISDXWZKL-OYRHEFFESA-N 2 2 421.585 4.147 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000065869311 852292471 /nfs/dbraw/zinc/29/24/71/852292471.db2.gz POCVSUISDXWZKL-OYRHEFFESA-N 2 2 421.585 4.147 20 0 HIADLP Cc1cccc(Oc2ccccc2NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000215992349 853841265 /nfs/dbraw/zinc/84/12/65/853841265.db2.gz RPSSAUVVIHTURS-UHFFFAOYSA-N 2 2 422.573 4.467 20 0 HIADLP CCc1ccc(Cl)c(CC)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000215978670 853841533 /nfs/dbraw/zinc/84/15/33/853841533.db2.gz CGWRWFDMKJMMLL-UHFFFAOYSA-N 2 2 407.002 4.145 20 0 HIADLP Brc1ccc(-c2c[nH]c(C[NH2+]CCCCNc3cccc[nH+]3)n2)cc1 ZINC000236748390 853918346 /nfs/dbraw/zinc/91/83/46/853918346.db2.gz RXBKXVYKFUWJCC-UHFFFAOYSA-N 2 2 400.324 4.216 20 0 HIADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)C1 ZINC000236825816 853926797 /nfs/dbraw/zinc/92/67/97/853926797.db2.gz RRGAWYRQIAQWGL-CQSZACIVSA-N 2 2 400.876 4.284 20 0 HIADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)C1 ZINC000236825816 853926800 /nfs/dbraw/zinc/92/68/00/853926800.db2.gz RRGAWYRQIAQWGL-CQSZACIVSA-N 2 2 400.876 4.284 20 0 HIADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1OCc1ccncc1 ZINC000237458864 854037133 /nfs/dbraw/zinc/03/71/33/854037133.db2.gz ZSTYBPNPOPCHJH-XMMPIXPASA-N 2 2 417.553 4.423 20 0 HIADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1OCc1ccncc1 ZINC000237458864 854037138 /nfs/dbraw/zinc/03/71/38/854037138.db2.gz ZSTYBPNPOPCHJH-XMMPIXPASA-N 2 2 417.553 4.423 20 0 HIADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000237524161 854049548 /nfs/dbraw/zinc/04/95/48/854049548.db2.gz NFVJLPGPQTUJNQ-MRXNPFEDSA-N 2 2 416.447 4.457 20 0 HIADLP [NH3+]CCCCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000237979539 854128760 /nfs/dbraw/zinc/12/87/60/854128760.db2.gz GFULDKNWTXYVLK-UHFFFAOYSA-N 2 2 403.567 4.108 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000301139410 854308612 /nfs/dbraw/zinc/30/86/12/854308612.db2.gz CHNSRPWBRBYDTH-GOSISDBHSA-N 2 2 407.587 4.094 20 0 HIADLP Brc1ccc2[nH+]ccc(N3CCC[N@H+](Cc4cscn4)CC3)c2c1 ZINC000301149472 854312789 /nfs/dbraw/zinc/31/27/89/854312789.db2.gz LWUPXMQHOLUWMA-UHFFFAOYSA-N 2 2 403.349 4.166 20 0 HIADLP Brc1ccc2[nH+]ccc(N3CCC[N@@H+](Cc4cscn4)CC3)c2c1 ZINC000301149472 854312793 /nfs/dbraw/zinc/31/27/93/854312793.db2.gz LWUPXMQHOLUWMA-UHFFFAOYSA-N 2 2 403.349 4.166 20 0 HIADLP C[N@H+](Cc1ccc(I)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309718514 855363803 /nfs/dbraw/zinc/36/38/03/855363803.db2.gz MVMGFMICQOSFIN-UHFFFAOYSA-N 2 2 420.338 4.388 20 0 HIADLP C[N@@H+](Cc1ccc(I)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309718514 855363815 /nfs/dbraw/zinc/36/38/15/855363815.db2.gz MVMGFMICQOSFIN-UHFFFAOYSA-N 2 2 420.338 4.388 20 0 HIADLP O[C@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000425918756 855998047 /nfs/dbraw/zinc/99/80/47/855998047.db2.gz MPLPKUWDTHROHI-RPBOFIJWSA-N 2 2 421.972 4.028 20 0 HIADLP O[C@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)C[N@H+]1CCc2ccccc2C1 ZINC000425918756 855998058 /nfs/dbraw/zinc/99/80/58/855998058.db2.gz MPLPKUWDTHROHI-RPBOFIJWSA-N 2 2 421.972 4.028 20 0 HIADLP C[N@H+](CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CCCCC1 ZINC000426037914 856063202 /nfs/dbraw/zinc/06/32/02/856063202.db2.gz XBIHZAOVYCUFHB-GOTSBHOMSA-N 2 2 409.578 4.066 20 0 HIADLP C[N@@H+](CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CCCCC1 ZINC000426037914 856063212 /nfs/dbraw/zinc/06/32/12/856063212.db2.gz XBIHZAOVYCUFHB-GOTSBHOMSA-N 2 2 409.578 4.066 20 0 HIADLP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1O ZINC000426172880 856152693 /nfs/dbraw/zinc/15/26/93/856152693.db2.gz QBIKFUOCGSRWMA-UXHICEINSA-N 2 2 412.574 4.212 20 0 HIADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C[C@H](C)O1 ZINC000426782853 856475613 /nfs/dbraw/zinc/47/56/13/856475613.db2.gz HWPIYSIEGUZDHK-CALCHBBNSA-N 2 2 406.521 4.143 20 0 HIADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C[C@H](C)O1 ZINC000426782853 856475621 /nfs/dbraw/zinc/47/56/21/856475621.db2.gz HWPIYSIEGUZDHK-CALCHBBNSA-N 2 2 406.521 4.143 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000427853326 856982813 /nfs/dbraw/zinc/98/28/13/856982813.db2.gz WPYHWYDVYTWEKQ-WMZHIEFXSA-N 2 2 415.603 4.154 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000427853326 856982819 /nfs/dbraw/zinc/98/28/19/856982819.db2.gz WPYHWYDVYTWEKQ-WMZHIEFXSA-N 2 2 415.603 4.154 20 0 HIADLP Fc1cccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2cccc(Br)c2)c1 ZINC000427866095 856987142 /nfs/dbraw/zinc/98/71/42/856987142.db2.gz OZCROSYHZBQHAM-UYAOXDASSA-N 2 2 400.295 4.479 20 0 HIADLP Fc1cccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccc(Br)c2)c1 ZINC000427866092 856987239 /nfs/dbraw/zinc/98/72/39/856987239.db2.gz OZCROSYHZBQHAM-AZUAARDMSA-N 2 2 400.295 4.479 20 0 HIADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@H]3CCC[C@H]3c3ccccc3)n2)CC1 ZINC000428494305 857225265 /nfs/dbraw/zinc/22/52/65/857225265.db2.gz NYNZUOWRNSQJJL-SFTDATJTSA-N 2 2 412.603 4.239 20 0 HIADLP FC(F)(F)COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000428549924 857259410 /nfs/dbraw/zinc/25/94/10/857259410.db2.gz QADVWRZWVLDLAG-OAQYLSRUSA-N 2 2 408.464 4.008 20 0 HIADLP FC(F)(F)COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000428549924 857259416 /nfs/dbraw/zinc/25/94/16/857259416.db2.gz QADVWRZWVLDLAG-OAQYLSRUSA-N 2 2 408.464 4.008 20 0 HIADLP Clc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000428554717 857263817 /nfs/dbraw/zinc/26/38/17/857263817.db2.gz TVGPXIWNPWNKHS-QFIPXVFZSA-N 2 2 410.949 4.111 20 0 HIADLP Clc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000428554717 857263827 /nfs/dbraw/zinc/26/38/27/857263827.db2.gz TVGPXIWNPWNKHS-QFIPXVFZSA-N 2 2 410.949 4.111 20 0 HIADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC(F)F ZINC000428559029 857265951 /nfs/dbraw/zinc/26/59/51/857265951.db2.gz MVBWQANKLDOFAA-HXUWFJFHSA-N 2 2 420.500 4.067 20 0 HIADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC(F)F ZINC000428559029 857265962 /nfs/dbraw/zinc/26/59/62/857265962.db2.gz MVBWQANKLDOFAA-HXUWFJFHSA-N 2 2 420.500 4.067 20 0 HIADLP CCOc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC(F)F ZINC000428559028 857266355 /nfs/dbraw/zinc/26/63/55/857266355.db2.gz MVBWQANKLDOFAA-FQEVSTJZSA-N 2 2 420.500 4.067 20 0 HIADLP CCOc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC(F)F ZINC000428559028 857266359 /nfs/dbraw/zinc/26/63/59/857266359.db2.gz MVBWQANKLDOFAA-FQEVSTJZSA-N 2 2 420.500 4.067 20 0 HIADLP CC(C)C[C@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000428777471 857332740 /nfs/dbraw/zinc/33/27/40/857332740.db2.gz IMVQBEYSXKMGIF-TZIWHRDSSA-N 2 2 411.594 4.126 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000429709715 857845179 /nfs/dbraw/zinc/84/51/79/857845179.db2.gz ADNXVHJPWBLDNZ-LJQANCHMSA-N 2 2 403.526 4.264 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000429965316 857974298 /nfs/dbraw/zinc/97/42/98/857974298.db2.gz SSEOZGSVJPPWSH-QFIPXVFZSA-N 2 2 415.541 4.282 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000429965316 857974303 /nfs/dbraw/zinc/97/43/03/857974303.db2.gz SSEOZGSVJPPWSH-QFIPXVFZSA-N 2 2 415.541 4.282 20 0 HIADLP CC[N@@H+](Cc1cnc(-c2ccccc2OC)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000430240089 858093440 /nfs/dbraw/zinc/09/34/40/858093440.db2.gz CMRNYIREKJKUFI-UHFFFAOYSA-N 2 2 417.557 4.286 20 0 HIADLP CC[N@H+](Cc1cnc(-c2ccccc2OC)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000430240089 858093447 /nfs/dbraw/zinc/09/34/47/858093447.db2.gz CMRNYIREKJKUFI-UHFFFAOYSA-N 2 2 417.557 4.286 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000430943084 858377921 /nfs/dbraw/zinc/37/79/21/858377921.db2.gz ODYUWXOSEFMHPA-UHFFFAOYSA-N 3 2 414.569 4.109 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000430943084 858377925 /nfs/dbraw/zinc/37/79/25/858377925.db2.gz ODYUWXOSEFMHPA-UHFFFAOYSA-N 3 2 414.569 4.109 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431728937 858767847 /nfs/dbraw/zinc/76/78/47/858767847.db2.gz ZFBBEHIQWXCVSH-NRFANRHFSA-N 2 2 416.569 4.165 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431728937 858767853 /nfs/dbraw/zinc/76/78/53/858767853.db2.gz ZFBBEHIQWXCVSH-NRFANRHFSA-N 2 2 416.569 4.165 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccc(C4CCCCC4)cc3)CC2)CC1 ZINC000431937703 858878705 /nfs/dbraw/zinc/87/87/05/858878705.db2.gz LLYXKDZONJMXNP-UHFFFAOYSA-N 2 2 412.622 4.092 20 0 HIADLP Brc1cccc2c(N3CC[NH+](C[C@@H]4CCOC4)CC3)cc(C3CC3)[nH+]c12 ZINC000432835984 859380376 /nfs/dbraw/zinc/38/03/76/859380376.db2.gz RCQFNWUDHOOEBR-HNNXBMFYSA-N 2 2 416.363 4.033 20 0 HIADLP Brc1cccc2c(N3CC[NH+](C4CCOCC4)CC3)cc(C3CC3)[nH+]c12 ZINC000432839146 859381641 /nfs/dbraw/zinc/38/16/41/859381641.db2.gz JWVHCLKBYYSYBN-UHFFFAOYSA-N 2 2 416.363 4.176 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000433180219 859557850 /nfs/dbraw/zinc/55/78/50/859557850.db2.gz XFRREHIVFCDBOC-UHFFFAOYSA-N 2 2 407.558 4.005 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C ZINC000433180219 859557855 /nfs/dbraw/zinc/55/78/55/859557855.db2.gz XFRREHIVFCDBOC-UHFFFAOYSA-N 2 2 407.558 4.005 20 0 HIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433406495 859681348 /nfs/dbraw/zinc/68/13/48/859681348.db2.gz PNIBYEYMHBIAIS-FXAWDEMLSA-N 2 2 401.526 4.200 20 0 HIADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000433610638 859808973 /nfs/dbraw/zinc/80/89/73/859808973.db2.gz TXGJZGMGYMKAKV-PMACEKPBSA-N 2 2 423.001 4.150 20 0 HIADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000433610638 859808977 /nfs/dbraw/zinc/80/89/77/859808977.db2.gz TXGJZGMGYMKAKV-PMACEKPBSA-N 2 2 423.001 4.150 20 0 HIADLP Cc1cccc(Cl)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000467678401 881470022 /nfs/dbraw/zinc/47/00/22/881470022.db2.gz WLHVEHDQRVWRQX-PMACEKPBSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cccc(Cl)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467678401 881470040 /nfs/dbraw/zinc/47/00/40/881470040.db2.gz WLHVEHDQRVWRQX-PMACEKPBSA-N 2 2 407.002 4.449 20 0 HIADLP CC(C)C[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000434309994 860270983 /nfs/dbraw/zinc/27/09/83/860270983.db2.gz WDMLIINIDMRGPP-KJXAQDMKSA-N 2 2 410.562 4.010 20 0 HIADLP COc1ccc(C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)cc1Br ZINC000434495417 860372659 /nfs/dbraw/zinc/37/26/59/860372659.db2.gz VQDOFBYOJBSJJJ-MRXNPFEDSA-N 2 2 404.352 4.288 20 0 HIADLP COc1ccc(C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)cc1Br ZINC000434495417 860372669 /nfs/dbraw/zinc/37/26/69/860372669.db2.gz VQDOFBYOJBSJJJ-MRXNPFEDSA-N 2 2 404.352 4.288 20 0 HIADLP Fc1ccc(-n2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)c3c2CCC3)cc1 ZINC000434682557 860458490 /nfs/dbraw/zinc/45/84/90/860458490.db2.gz WKWQZIFZXCYMBV-UHFFFAOYSA-N 2 2 419.548 4.413 20 0 HIADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434685283 860459714 /nfs/dbraw/zinc/45/97/14/860459714.db2.gz NILGVDYQSUKOIH-MOPGFXCFSA-N 2 2 408.590 4.227 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc2ccccc2c1 ZINC000434688674 860461914 /nfs/dbraw/zinc/46/19/14/860461914.db2.gz ORCVBJJEWUTTLW-IBGZPJMESA-N 2 2 416.569 4.429 20 0 HIADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(Cl)c1 ZINC000434692704 860464643 /nfs/dbraw/zinc/46/46/43/860464643.db2.gz HWQCFLYJGMTXOJ-MRXNPFEDSA-N 2 2 400.954 4.388 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434736613 860476689 /nfs/dbraw/zinc/47/66/89/860476689.db2.gz MHBOSOLVMYRPPO-UHFFFAOYSA-N 2 2 408.590 4.146 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467748310 881551903 /nfs/dbraw/zinc/55/19/03/881551903.db2.gz XXQDCUQTHTYVSI-OAHLLOKOSA-N 2 2 412.525 4.150 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434975207 860582935 /nfs/dbraw/zinc/58/29/35/860582935.db2.gz AITDULGNPGGMBL-GOSISDBHSA-N 2 2 404.514 4.195 20 0 HIADLP C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434982224 860584647 /nfs/dbraw/zinc/58/46/47/860584647.db2.gz KKSKGCPQGAFSQH-KRWDZBQOSA-N 2 2 421.570 4.304 20 0 HIADLP C[NH+](C)CCOc1ccccc1-c1noc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000438230998 863670320 /nfs/dbraw/zinc/67/03/20/863670320.db2.gz VNUPYKGVEAZEAI-HXUWFJFHSA-N 2 2 410.493 4.153 20 0 HIADLP C[NH+](C)CCOc1ccccc1-c1noc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000438230998 863670369 /nfs/dbraw/zinc/67/03/69/863670369.db2.gz VNUPYKGVEAZEAI-HXUWFJFHSA-N 2 2 410.493 4.153 20 0 HIADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000439023583 864477478 /nfs/dbraw/zinc/47/74/78/864477478.db2.gz VVJLYPCSQRBQMP-UHFFFAOYSA-N 2 2 407.562 4.415 20 0 HIADLP O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000439895963 865208613 /nfs/dbraw/zinc/20/86/13/865208613.db2.gz GDINCIVAUPWXHY-JOCHJYFZSA-N 2 2 414.553 4.025 20 0 HIADLP Cc1ccc([C@H](OC[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000440755119 865891682 /nfs/dbraw/zinc/89/16/82/865891682.db2.gz CMJLNQISLQUNNK-KMDXXIMOSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccc([C@H](OC[C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000440755119 865891699 /nfs/dbraw/zinc/89/16/99/865891699.db2.gz CMJLNQISLQUNNK-KMDXXIMOSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c(C)c1 ZINC000441368517 866437799 /nfs/dbraw/zinc/43/77/99/866437799.db2.gz BIQIWAXYQMZWRT-LGVFNWMJSA-N 2 2 404.558 4.139 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC[C@H](C)c2ccccc2)c(C)c1 ZINC000441368515 866438004 /nfs/dbraw/zinc/43/80/04/866438004.db2.gz BIQIWAXYQMZWRT-IMSXRSKXSA-N 2 2 404.558 4.139 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441398667 866473826 /nfs/dbraw/zinc/47/38/26/866473826.db2.gz WFGWUTBDIDJEFB-JPYJTQIMSA-N 2 2 407.558 4.169 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441398667 866473830 /nfs/dbraw/zinc/47/38/30/866473830.db2.gz WFGWUTBDIDJEFB-JPYJTQIMSA-N 2 2 407.558 4.169 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441398667 866473836 /nfs/dbraw/zinc/47/38/36/866473836.db2.gz WFGWUTBDIDJEFB-JPYJTQIMSA-N 2 2 407.558 4.169 20 0 HIADLP CCOC(=O)c1c(C)c2ccccc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441398667 866473842 /nfs/dbraw/zinc/47/38/42/866473842.db2.gz WFGWUTBDIDJEFB-JPYJTQIMSA-N 2 2 407.558 4.169 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406721 866482161 /nfs/dbraw/zinc/48/21/61/866482161.db2.gz NBFLPFNQVXPBJW-HUFIRRDGSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406721 866482162 /nfs/dbraw/zinc/48/21/62/866482162.db2.gz NBFLPFNQVXPBJW-HUFIRRDGSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406721 866482163 /nfs/dbraw/zinc/48/21/63/866482163.db2.gz NBFLPFNQVXPBJW-HUFIRRDGSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406721 866482164 /nfs/dbraw/zinc/48/21/64/866482164.db2.gz NBFLPFNQVXPBJW-HUFIRRDGSA-N 2 2 405.586 4.354 20 0 HIADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441504652 866585127 /nfs/dbraw/zinc/58/51/27/866585127.db2.gz FLUKXQIKQQKAQL-DEOSSOPVSA-N 2 2 419.573 4.192 20 0 HIADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441504652 866585134 /nfs/dbraw/zinc/58/51/34/866585134.db2.gz FLUKXQIKQQKAQL-DEOSSOPVSA-N 2 2 419.573 4.192 20 0 HIADLP COc1ccc([C@@H](CCn2cncn2)[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000442872046 867707356 /nfs/dbraw/zinc/70/73/56/867707356.db2.gz IXOSNUIEFMRPFH-HSZRJFAPSA-N 2 2 411.594 4.054 20 0 HIADLP Fc1ccc(Br)c2[nH+]ccc(N3CCC(CC[NH+]4CCOCC4)CC3)c12 ZINC000443524892 868083634 /nfs/dbraw/zinc/08/36/34/868083634.db2.gz WHBLSOZFKMATLN-UHFFFAOYSA-N 2 2 422.342 4.075 20 0 HIADLP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(OCc2cccnc2)c1 ZINC000443976891 868504716 /nfs/dbraw/zinc/50/47/16/868504716.db2.gz BNILSCMAZYDVPH-UHFFFAOYSA-N 2 2 409.574 4.413 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[NH+]2CCCC2)o1 ZINC000444593684 868894526 /nfs/dbraw/zinc/89/45/26/868894526.db2.gz RGZDEXGFKLCUGC-PGRDOPGGSA-N 2 2 421.545 4.279 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000444791346 869008675 /nfs/dbraw/zinc/00/86/75/869008675.db2.gz BAIKZTLOYWRPQJ-KKUMJFAQSA-N 2 2 409.361 4.172 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000444791346 869008686 /nfs/dbraw/zinc/00/86/86/869008686.db2.gz BAIKZTLOYWRPQJ-KKUMJFAQSA-N 2 2 409.361 4.172 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)c2)CC1 ZINC000444940530 869120749 /nfs/dbraw/zinc/12/07/49/869120749.db2.gz GEQRAKJFGCFRDI-NRFANRHFSA-N 2 2 409.578 4.106 20 0 HIADLP C[C@H](CC1CCOCC1)[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000468363845 882305519 /nfs/dbraw/zinc/30/55/19/882305519.db2.gz WUKDGRJQYFRIQJ-GOSISDBHSA-N 2 2 413.528 4.012 20 0 HIADLP COCC[NH+]1CCC([NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000446756259 870668169 /nfs/dbraw/zinc/66/81/69/870668169.db2.gz GFALQJUNECCSCJ-SFHVURJKSA-N 2 2 401.776 4.254 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Br)cc1F ZINC000446757340 870670161 /nfs/dbraw/zinc/67/01/61/870670161.db2.gz APOIVMYUFRJKFC-HNNXBMFYSA-N 2 2 407.327 4.271 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)c2C)cc1 ZINC000447076279 870960227 /nfs/dbraw/zinc/96/02/27/870960227.db2.gz JJQBWCBFAXZTPG-UHFFFAOYSA-N 2 2 420.557 4.304 20 0 HIADLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1OCc1cccnc1 ZINC000447077562 870963141 /nfs/dbraw/zinc/96/31/41/870963141.db2.gz QJEIAUQNSXIPDT-UHFFFAOYSA-N 2 2 419.525 4.416 20 0 HIADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734768 871686581 /nfs/dbraw/zinc/68/65/81/871686581.db2.gz YWJQUQNUVBTBQM-RDPSFJRHSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734768 871686592 /nfs/dbraw/zinc/68/65/92/871686592.db2.gz YWJQUQNUVBTBQM-RDPSFJRHSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734768 871686600 /nfs/dbraw/zinc/68/66/00/871686600.db2.gz YWJQUQNUVBTBQM-RDPSFJRHSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734768 871686610 /nfs/dbraw/zinc/68/66/10/871686610.db2.gz YWJQUQNUVBTBQM-RDPSFJRHSA-N 2 2 407.558 4.118 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000447847233 871767238 /nfs/dbraw/zinc/76/72/38/871767238.db2.gz YZILJFFYTVSSKL-SFHVURJKSA-N 2 2 407.537 4.209 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1Br ZINC000447935957 871817443 /nfs/dbraw/zinc/81/74/43/871817443.db2.gz LCNULLVQUSROQE-HNNXBMFYSA-N 2 2 405.384 4.013 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1Br ZINC000447935957 871817455 /nfs/dbraw/zinc/81/74/55/871817455.db2.gz LCNULLVQUSROQE-HNNXBMFYSA-N 2 2 405.384 4.013 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000460496429 873181477 /nfs/dbraw/zinc/18/14/77/873181477.db2.gz YZTQNXGJAOJZQR-OALUTQOASA-N 2 2 424.416 4.163 20 0 HIADLP C[NH+]1CCC(CNC(=O)C2(c3ccc(F)cc3)CCCCC2)([NH+]2CCCCC2)CC1 ZINC000460495799 873182026 /nfs/dbraw/zinc/18/20/26/873182026.db2.gz XHGDSNWOBFEPTB-UHFFFAOYSA-N 2 2 415.597 4.094 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H](Cc3ccccc3)c3ccccc3)CC2)CC1 ZINC000460946174 873844973 /nfs/dbraw/zinc/84/49/73/873844973.db2.gz NHOOFDWKMFFIDD-XMMPIXPASA-N 2 2 419.613 4.078 20 0 HIADLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(Cl)c1F ZINC000461095510 874012454 /nfs/dbraw/zinc/01/24/54/874012454.db2.gz QUCNKIKIENTTFA-OAQYLSRUSA-N 2 2 406.929 4.431 20 0 HIADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(Cl)c1F ZINC000461104517 874024023 /nfs/dbraw/zinc/02/40/23/874024023.db2.gz XJMQZRUTKGKAQX-HXUWFJFHSA-N 2 2 406.929 4.431 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)([NH+]2CCCCC2)CC1 ZINC000461279865 874287053 /nfs/dbraw/zinc/28/70/53/874287053.db2.gz YBOJTPSFKLKZBN-UHFFFAOYSA-N 2 2 423.388 4.155 20 0 HIADLP C[NH+]1CCC(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)([NH+]2CCCCC2)CC1 ZINC000461297791 874303399 /nfs/dbraw/zinc/30/33/99/874303399.db2.gz WBUPCXKLOZUHDX-UHFFFAOYSA-N 2 2 418.025 4.218 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000462788932 875841304 /nfs/dbraw/zinc/84/13/04/875841304.db2.gz HTRXGHASRNYELT-LJQANCHMSA-N 2 2 410.558 4.430 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000462804750 875851192 /nfs/dbraw/zinc/85/11/92/875851192.db2.gz CKPAMZIWXSWMNL-ZFJSRUIDSA-N 2 2 420.601 4.130 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000462804750 875851201 /nfs/dbraw/zinc/85/12/01/875851201.db2.gz CKPAMZIWXSWMNL-ZFJSRUIDSA-N 2 2 420.601 4.130 20 0 HIADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2csc(-c3ccccc3F)n2)nc[nH+]1 ZINC000462817195 875858605 /nfs/dbraw/zinc/85/86/05/875858605.db2.gz NBICUBOAFPLIGE-HUUCEWRRSA-N 2 2 412.538 4.101 20 0 HIADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000463158133 876210834 /nfs/dbraw/zinc/21/08/34/876210834.db2.gz CJIZBDAKHXLHTM-PKOBYXMFSA-N 2 2 418.632 4.035 20 0 HIADLP COc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463193093 876251551 /nfs/dbraw/zinc/25/15/51/876251551.db2.gz UJPHEIVTPCIKMF-UHFFFAOYSA-N 2 2 408.464 4.232 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463193304 876251713 /nfs/dbraw/zinc/25/17/13/876251713.db2.gz RQWBCOYQYOBRJT-ATIYNZHBSA-N 2 2 419.613 4.110 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463193304 876251730 /nfs/dbraw/zinc/25/17/30/876251730.db2.gz RQWBCOYQYOBRJT-ATIYNZHBSA-N 2 2 419.613 4.110 20 0 HIADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nc4ccc(Br)cc4o3)C1)CCCC2 ZINC000463199887 876261127 /nfs/dbraw/zinc/26/11/27/876261127.db2.gz ZYBMZQPSNSOSPT-HNNXBMFYSA-N 2 2 415.335 4.421 20 0 HIADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nc4ccc(Br)cc4o3)C1)CCCC2 ZINC000463199887 876261137 /nfs/dbraw/zinc/26/11/37/876261137.db2.gz ZYBMZQPSNSOSPT-HNNXBMFYSA-N 2 2 415.335 4.421 20 0 HIADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H]1c1ccccc1 ZINC000463704398 876824052 /nfs/dbraw/zinc/82/40/52/876824052.db2.gz QGQCZIVJCBORLR-DHIUTWEWSA-N 2 2 415.541 4.453 20 0 HIADLP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H]1c1ccccc1 ZINC000463704398 876824066 /nfs/dbraw/zinc/82/40/66/876824066.db2.gz QGQCZIVJCBORLR-DHIUTWEWSA-N 2 2 415.541 4.453 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)c2C)cc1 ZINC000463728823 876849528 /nfs/dbraw/zinc/84/95/28/876849528.db2.gz BDKQQDJEZYCWOD-UHFFFAOYSA-N 2 2 415.541 4.091 20 0 HIADLP CCc1ccc(-c2noc(C[N@H+](CC)CC3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000464807999 878057185 /nfs/dbraw/zinc/05/71/85/878057185.db2.gz VEGCDHKOTXVFIP-UHFFFAOYSA-N 2 2 405.546 4.433 20 0 HIADLP CCc1ccc(-c2noc(C[N@@H+](CC)CC3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000464807999 878057202 /nfs/dbraw/zinc/05/72/02/878057202.db2.gz VEGCDHKOTXVFIP-UHFFFAOYSA-N 2 2 405.546 4.433 20 0 HIADLP C[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464830672 878087428 /nfs/dbraw/zinc/08/74/28/878087428.db2.gz JHMQLZCUMMOIOH-XMMPIXPASA-N 2 2 407.602 4.268 20 0 HIADLP C[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464830672 878087443 /nfs/dbraw/zinc/08/74/43/878087443.db2.gz JHMQLZCUMMOIOH-XMMPIXPASA-N 2 2 407.602 4.268 20 0 HIADLP C[NH+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464830672 878087465 /nfs/dbraw/zinc/08/74/65/878087465.db2.gz JHMQLZCUMMOIOH-XMMPIXPASA-N 2 2 407.602 4.268 20 0 HIADLP C[NH+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464830672 878087490 /nfs/dbraw/zinc/08/74/90/878087490.db2.gz JHMQLZCUMMOIOH-XMMPIXPASA-N 2 2 407.602 4.268 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464832078 878091365 /nfs/dbraw/zinc/09/13/65/878091365.db2.gz LUYYFJTZGVIYSS-QKNQBKEWSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464832078 878091387 /nfs/dbraw/zinc/09/13/87/878091387.db2.gz LUYYFJTZGVIYSS-QKNQBKEWSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464832078 878091405 /nfs/dbraw/zinc/09/14/05/878091405.db2.gz LUYYFJTZGVIYSS-QKNQBKEWSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464832078 878091425 /nfs/dbraw/zinc/09/14/25/878091425.db2.gz LUYYFJTZGVIYSS-QKNQBKEWSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837470 878099922 /nfs/dbraw/zinc/09/99/22/878099922.db2.gz LTRGMYGTXXKWRE-RBBKRZOGSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837470 878099943 /nfs/dbraw/zinc/09/99/43/878099943.db2.gz LTRGMYGTXXKWRE-RBBKRZOGSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464837470 878099968 /nfs/dbraw/zinc/09/99/68/878099968.db2.gz LTRGMYGTXXKWRE-RBBKRZOGSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464837470 878099974 /nfs/dbraw/zinc/09/99/74/878099974.db2.gz LTRGMYGTXXKWRE-RBBKRZOGSA-N 2 2 419.569 4.406 20 0 HIADLP C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503372085 912353876 /nfs/dbraw/zinc/35/38/76/912353876.db2.gz JCWLSEOIRSCYGL-KPLVRAHFSA-N 2 2 417.981 4.191 20 0 HIADLP C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(Cl)cc1 ZINC000503372085 912353902 /nfs/dbraw/zinc/35/39/02/912353902.db2.gz JCWLSEOIRSCYGL-KPLVRAHFSA-N 2 2 417.981 4.191 20 0 HIADLP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503373507 912355516 /nfs/dbraw/zinc/35/55/16/912355516.db2.gz HWMNOBVKMINTNU-SFHLNBCPSA-N 2 2 406.574 4.155 20 0 HIADLP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503373507 912355545 /nfs/dbraw/zinc/35/55/45/912355545.db2.gz HWMNOBVKMINTNU-SFHLNBCPSA-N 2 2 406.574 4.155 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503388448 912371329 /nfs/dbraw/zinc/37/13/29/912371329.db2.gz CNJWJONJRDTMGY-IFMALSPDSA-N 2 2 408.590 4.225 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503388448 912371350 /nfs/dbraw/zinc/37/13/50/912371350.db2.gz CNJWJONJRDTMGY-IFMALSPDSA-N 2 2 408.590 4.225 20 0 HIADLP Brc1ccccc1OCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503410396 912390352 /nfs/dbraw/zinc/39/03/52/912390352.db2.gz ARKSNLVPHVWCPQ-INIZCTEOSA-N 2 2 404.352 4.240 20 0 HIADLP Brc1ccccc1OCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503410396 912390376 /nfs/dbraw/zinc/39/03/76/912390376.db2.gz ARKSNLVPHVWCPQ-INIZCTEOSA-N 2 2 404.352 4.240 20 0 HIADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503410835 912392414 /nfs/dbraw/zinc/39/24/14/912392414.db2.gz NCPKOGLPCCFRAW-NRFANRHFSA-N 2 2 408.590 4.226 20 0 HIADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503410835 912392442 /nfs/dbraw/zinc/39/24/42/912392442.db2.gz NCPKOGLPCCFRAW-NRFANRHFSA-N 2 2 408.590 4.226 20 0 HIADLP Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000465914371 879576727 /nfs/dbraw/zinc/57/67/27/879576727.db2.gz AZZPRFQQMCLQAT-HSZRJFAPSA-N 2 2 414.638 4.332 20 0 HIADLP Cc1ccc([C@@H]2CCCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466139039 879850308 /nfs/dbraw/zinc/85/03/08/879850308.db2.gz AMCGPDUZYKUGOM-QHCPKHFHSA-N 2 2 412.622 4.182 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2ccc(OC3CCCC3)cc2)([NH+]2CCCCC2)CC1 ZINC000466141273 879851259 /nfs/dbraw/zinc/85/12/59/879851259.db2.gz NJEIBUSWUMLIHP-UHFFFAOYSA-N 2 2 414.594 4.080 20 0 HIADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000466728647 880513708 /nfs/dbraw/zinc/51/37/08/880513708.db2.gz UQDRAKXZBAHNGM-QGZVFWFLSA-N 2 2 420.985 4.198 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2cccs2)cc1 ZINC000467137061 880882271 /nfs/dbraw/zinc/88/22/71/880882271.db2.gz DJIHFKZQANQEHA-QFIPXVFZSA-N 2 2 408.571 4.119 20 0 HIADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000467516503 881331487 /nfs/dbraw/zinc/33/14/87/881331487.db2.gz LOTLMLBXODWXPB-UHFFFAOYSA-N 2 2 418.379 4.341 20 0 HIADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000467516503 881331506 /nfs/dbraw/zinc/33/15/06/881331506.db2.gz LOTLMLBXODWXPB-UHFFFAOYSA-N 2 2 418.379 4.341 20 0 HIADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000469751566 883911811 /nfs/dbraw/zinc/91/18/11/883911811.db2.gz IXLNVPLIAXINOR-GBXCKJPGSA-N 2 2 423.605 4.440 20 0 HIADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000469751566 883911835 /nfs/dbraw/zinc/91/18/35/883911835.db2.gz IXLNVPLIAXINOR-GBXCKJPGSA-N 2 2 423.605 4.440 20 0 HIADLP CCC(CC)(CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000469765417 883936460 /nfs/dbraw/zinc/93/64/60/883936460.db2.gz SNCYDTOQVFNTCN-TUNNFDKTSA-N 2 2 411.594 4.385 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[C@@H](C)C1 ZINC000469787525 883962025 /nfs/dbraw/zinc/96/20/25/883962025.db2.gz UPHGNOKJFAEJRZ-BJLQDIEVSA-N 2 2 410.002 4.010 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[C@@H](C)C1 ZINC000469787525 883962048 /nfs/dbraw/zinc/96/20/48/883962048.db2.gz UPHGNOKJFAEJRZ-BJLQDIEVSA-N 2 2 410.002 4.010 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000469858782 884044970 /nfs/dbraw/zinc/04/49/70/884044970.db2.gz JBDHGDWYBUIHKF-SEDAZVQISA-N 2 2 423.605 4.154 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000469858782 884044991 /nfs/dbraw/zinc/04/49/91/884044991.db2.gz JBDHGDWYBUIHKF-SEDAZVQISA-N 2 2 423.605 4.154 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469859392 884045788 /nfs/dbraw/zinc/04/57/88/884045788.db2.gz OVYYURGSKSDPSZ-OOICKAIWSA-N 2 2 423.605 4.154 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469859392 884045808 /nfs/dbraw/zinc/04/58/08/884045808.db2.gz OVYYURGSKSDPSZ-OOICKAIWSA-N 2 2 423.605 4.154 20 0 HIADLP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503920856 912864632 /nfs/dbraw/zinc/86/46/32/912864632.db2.gz PZVXEBUXFAHGQR-FXAWDEMLSA-N 2 2 424.427 4.213 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471175403 885735921 /nfs/dbraw/zinc/73/59/21/885735921.db2.gz DMMADFBURSKFHB-UGKGYDQZSA-N 2 2 404.514 4.368 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471175403 885735944 /nfs/dbraw/zinc/73/59/44/885735944.db2.gz DMMADFBURSKFHB-UGKGYDQZSA-N 2 2 404.514 4.368 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1cn(-c2ccccc2)nn1 ZINC000471668650 886381345 /nfs/dbraw/zinc/38/13/45/886381345.db2.gz LDMVPZNDOBUHIZ-LJQANCHMSA-N 2 2 401.514 4.343 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cn(-c2ccccc2)nn1 ZINC000471668650 886381367 /nfs/dbraw/zinc/38/13/67/886381367.db2.gz LDMVPZNDOBUHIZ-LJQANCHMSA-N 2 2 401.514 4.343 20 0 HIADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000473736845 888515883 /nfs/dbraw/zinc/51/58/83/888515883.db2.gz BWENILKWPUGIAJ-OFNKIYASSA-N 2 2 411.594 4.298 20 0 HIADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000473736845 888515889 /nfs/dbraw/zinc/51/58/89/888515889.db2.gz BWENILKWPUGIAJ-OFNKIYASSA-N 2 2 411.594 4.298 20 0 HIADLP Cc1c(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cccc1C(F)(F)F ZINC000473824771 888657095 /nfs/dbraw/zinc/65/70/95/888657095.db2.gz AESMBHNXJCHGCB-UHFFFAOYSA-N 2 2 412.500 4.086 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474109869 888931736 /nfs/dbraw/zinc/93/17/36/888931736.db2.gz JBBVYYZISAQJJW-PBEJRMEISA-N 2 2 419.400 4.467 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474109869 888931757 /nfs/dbraw/zinc/93/17/57/888931757.db2.gz JBBVYYZISAQJJW-PBEJRMEISA-N 2 2 419.400 4.467 20 0 HIADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2Br)C(C)(C)C)CC1 ZINC000474175092 889013098 /nfs/dbraw/zinc/01/30/98/889013098.db2.gz JNCPQYQMCOFTMC-UHFFFAOYSA-N 2 2 424.427 4.039 20 0 HIADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2Br)C(C)(C)C)CC1 ZINC000474175092 889013111 /nfs/dbraw/zinc/01/31/11/889013111.db2.gz JNCPQYQMCOFTMC-UHFFFAOYSA-N 2 2 424.427 4.039 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C2 ZINC000474203505 889041845 /nfs/dbraw/zinc/04/18/45/889041845.db2.gz IOWGQRFHDWNZFQ-PXNSSMCTSA-N 2 2 414.619 4.289 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)CC2 ZINC000474203505 889041861 /nfs/dbraw/zinc/04/18/61/889041861.db2.gz IOWGQRFHDWNZFQ-PXNSSMCTSA-N 2 2 414.619 4.289 20 0 HIADLP C[N@H+](Cc1ccccc1CNC(=O)NCc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000474235863 889080588 /nfs/dbraw/zinc/08/05/88/889080588.db2.gz KZVVGDPBBOFEAV-UHFFFAOYSA-N 2 2 405.546 4.098 20 0 HIADLP C[N@@H+](Cc1ccccc1CNC(=O)NCc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000474235863 889080596 /nfs/dbraw/zinc/08/05/96/889080596.db2.gz KZVVGDPBBOFEAV-UHFFFAOYSA-N 2 2 405.546 4.098 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C2 ZINC000474896432 889755295 /nfs/dbraw/zinc/75/52/95/889755295.db2.gz QJJWFRFWNUJGAP-MOPGFXCFSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C2 ZINC000474896432 889755305 /nfs/dbraw/zinc/75/53/05/889755305.db2.gz QJJWFRFWNUJGAP-MOPGFXCFSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)CC2 ZINC000474896432 889755314 /nfs/dbraw/zinc/75/53/14/889755314.db2.gz QJJWFRFWNUJGAP-MOPGFXCFSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)CC2 ZINC000474896432 889755326 /nfs/dbraw/zinc/75/53/26/889755326.db2.gz QJJWFRFWNUJGAP-MOPGFXCFSA-N 2 2 408.590 4.329 20 0 HIADLP Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000474996560 889847939 /nfs/dbraw/zinc/84/79/39/889847939.db2.gz FMIDHVYMLUFWTJ-OAQYLSRUSA-N 2 2 414.638 4.132 20 0 HIADLP COc1ccc(CC[C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1O ZINC000475327358 890246320 /nfs/dbraw/zinc/24/63/20/890246320.db2.gz CMXYEBSVTPFMOE-RWBZWWBESA-N 2 2 400.485 4.117 20 0 HIADLP COc1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc(Cl)c1OC ZINC000475340760 890261392 /nfs/dbraw/zinc/26/13/92/890261392.db2.gz AFQVGMXSKDLQRO-UHFFFAOYSA-N 2 2 406.876 4.252 20 0 HIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3cc(Cl)c4c(c3)OCCO4)C2)CC1 ZINC000475345211 890267237 /nfs/dbraw/zinc/26/72/37/890267237.db2.gz HGBLDTRJEDWALE-UHFFFAOYSA-N 2 2 404.860 4.006 20 0 HIADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475350053 890273406 /nfs/dbraw/zinc/27/34/06/890273406.db2.gz BLUIKQPVFIYFEC-LMDPOFIKSA-N 2 2 414.512 4.420 20 0 HIADLP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc(Br)c1OC(F)F ZINC000475567685 890498352 /nfs/dbraw/zinc/49/83/52/890498352.db2.gz LQOSGPNECBZAAM-UHFFFAOYSA-N 2 2 419.310 4.166 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)c(C)c1 ZINC000478175006 893341197 /nfs/dbraw/zinc/34/11/97/893341197.db2.gz IYRBZCRXUIOXRB-YADHBBJMSA-N 2 2 406.505 4.166 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479501430 894818431 /nfs/dbraw/zinc/81/84/31/894818431.db2.gz KTAFPUZJUQDQLU-BBGBUTGUSA-N 2 2 409.540 4.292 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479501430 894818434 /nfs/dbraw/zinc/81/84/34/894818434.db2.gz KTAFPUZJUQDQLU-BBGBUTGUSA-N 2 2 409.540 4.292 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000479501430 894818441 /nfs/dbraw/zinc/81/84/41/894818441.db2.gz KTAFPUZJUQDQLU-BBGBUTGUSA-N 2 2 409.540 4.292 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000479501430 894818445 /nfs/dbraw/zinc/81/84/45/894818445.db2.gz KTAFPUZJUQDQLU-BBGBUTGUSA-N 2 2 409.540 4.292 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479523530 894833132 /nfs/dbraw/zinc/83/31/32/894833132.db2.gz QFTZMXPDGBGQGO-UTKZUKDTSA-N 2 2 407.480 4.065 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479523530 894833136 /nfs/dbraw/zinc/83/31/36/894833136.db2.gz QFTZMXPDGBGQGO-UTKZUKDTSA-N 2 2 407.480 4.065 20 0 HIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCN(c4ccccc4C(F)(F)F)C3)sc2C1 ZINC000479867152 895208556 /nfs/dbraw/zinc/20/85/56/895208556.db2.gz PCOLAGIYMMLTQL-OAHLLOKOSA-N 2 2 424.536 4.297 20 0 HIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCN(c4ccccc4C(F)(F)F)C3)sc2C1 ZINC000479867152 895208570 /nfs/dbraw/zinc/20/85/70/895208570.db2.gz PCOLAGIYMMLTQL-OAHLLOKOSA-N 2 2 424.536 4.297 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCCC2)cc1 ZINC000480086233 895445531 /nfs/dbraw/zinc/44/55/31/895445531.db2.gz AHAXIZBDSIWHFL-NYMACZPPSA-N 2 2 407.602 4.332 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCCC2)cc1 ZINC000480086233 895445539 /nfs/dbraw/zinc/44/55/39/895445539.db2.gz AHAXIZBDSIWHFL-NYMACZPPSA-N 2 2 407.602 4.332 20 0 HIADLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000480167920 895557763 /nfs/dbraw/zinc/55/77/63/895557763.db2.gz JFPALLRSZNSENF-AWEZNQCLSA-N 2 2 412.887 4.356 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000480363276 895769828 /nfs/dbraw/zinc/76/98/28/895769828.db2.gz LWICBIHQBVXXIM-UWJYYQICSA-N 2 2 407.480 4.161 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000480363276 895769842 /nfs/dbraw/zinc/76/98/42/895769842.db2.gz LWICBIHQBVXXIM-UWJYYQICSA-N 2 2 407.480 4.161 20 0 HIADLP Cc1c([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000480550724 895911633 /nfs/dbraw/zinc/91/16/33/895911633.db2.gz MUXWJMMSVRKPAE-SFHVURJKSA-N 2 2 403.505 4.458 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000480601295 895964944 /nfs/dbraw/zinc/96/49/44/895964944.db2.gz MTOYVHHUUITPKV-XLGIIRLISA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000480601295 895964952 /nfs/dbraw/zinc/96/49/52/895964952.db2.gz MTOYVHHUUITPKV-XLGIIRLISA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000480601295 895964963 /nfs/dbraw/zinc/96/49/63/895964963.db2.gz MTOYVHHUUITPKV-XLGIIRLISA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000480601295 895964970 /nfs/dbraw/zinc/96/49/70/895964970.db2.gz MTOYVHHUUITPKV-XLGIIRLISA-N 3 2 406.618 4.456 20 0 HIADLP CC(=O)N(c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1)c1ccc(C)c(C)c1 ZINC000480968507 896306527 /nfs/dbraw/zinc/30/65/27/896306527.db2.gz SYFQOACJXDAIOJ-UHFFFAOYSA-N 2 2 400.592 4.218 20 0 HIADLP Cc1ccc2nc(NC(=O)C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)sc2c1 ZINC000481162323 896496300 /nfs/dbraw/zinc/49/63/00/896496300.db2.gz CJYNCDDJGANDES-IEBWSBKVSA-N 2 2 408.571 4.043 20 0 HIADLP Cc1ccc2nc(NC(=O)C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)sc2c1 ZINC000481162323 896496305 /nfs/dbraw/zinc/49/63/05/896496305.db2.gz CJYNCDDJGANDES-IEBWSBKVSA-N 2 2 408.571 4.043 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1OC(F)F ZINC000481164850 896498955 /nfs/dbraw/zinc/49/89/55/896498955.db2.gz AQJUNOIJGYMDJQ-LNLFQRSKSA-N 2 2 417.500 4.115 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1OC(F)F ZINC000481164850 896498962 /nfs/dbraw/zinc/49/89/62/896498962.db2.gz AQJUNOIJGYMDJQ-LNLFQRSKSA-N 2 2 417.500 4.115 20 0 HIADLP CCN(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1nc2ccccc2s1 ZINC000481169857 896505105 /nfs/dbraw/zinc/50/51/05/896505105.db2.gz JEQZYDYZGCTJCW-ICSRJNTNSA-N 2 2 422.598 4.149 20 0 HIADLP CCN(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1nc2ccccc2s1 ZINC000481169857 896505118 /nfs/dbraw/zinc/50/51/18/896505118.db2.gz JEQZYDYZGCTJCW-ICSRJNTNSA-N 2 2 422.598 4.149 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCSc2ccccc21 ZINC000481182893 896525634 /nfs/dbraw/zinc/52/56/34/896525634.db2.gz QLSYBKZOXGBCLP-DYXWJJEUSA-N 2 2 409.599 4.014 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCSc2ccccc21 ZINC000481182893 896525646 /nfs/dbraw/zinc/52/56/46/896525646.db2.gz QLSYBKZOXGBCLP-DYXWJJEUSA-N 2 2 409.599 4.014 20 0 HIADLP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)ccn2)cc1 ZINC000481298109 896641874 /nfs/dbraw/zinc/64/18/74/896641874.db2.gz GMGBVCQUSUVRAS-DVECYGJZSA-N 2 2 418.541 4.278 20 0 HIADLP COc1ccc(Oc2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)ccn2)cc1 ZINC000481298109 896641886 /nfs/dbraw/zinc/64/18/86/896641886.db2.gz GMGBVCQUSUVRAS-DVECYGJZSA-N 2 2 418.541 4.278 20 0 HIADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000481319198 896672836 /nfs/dbraw/zinc/67/28/36/896672836.db2.gz SSHYWULAGRYNBZ-HXUWFJFHSA-N 2 2 424.589 4.243 20 0 HIADLP Cc1c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cnn1-c1ccc(F)cc1 ZINC000481324190 896680799 /nfs/dbraw/zinc/68/07/99/896680799.db2.gz QSNLPAWKYUTERX-SFHVURJKSA-N 2 2 408.521 4.003 20 0 HIADLP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000481326267 896683661 /nfs/dbraw/zinc/68/36/61/896683661.db2.gz XBEBSDWKVZDMIP-OAQYLSRUSA-N 2 2 406.448 4.195 20 0 HIADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000481395483 896803034 /nfs/dbraw/zinc/80/30/34/896803034.db2.gz BSNFSILKOXSQQP-BEFAXECRSA-N 2 2 408.384 4.020 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1Br ZINC000481397082 896804088 /nfs/dbraw/zinc/80/40/88/896804088.db2.gz ATYBSMUXZDBILH-QGZVFWFLSA-N 2 2 419.363 4.011 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000481409856 896814880 /nfs/dbraw/zinc/81/48/80/896814880.db2.gz BMRKSOYITASASD-KRWDZBQOSA-N 2 2 408.464 4.267 20 0 HIADLP c1ccc2c(c1)CO[C@]21CCC[NH+](CCC[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)C1 ZINC000481698083 897086459 /nfs/dbraw/zinc/08/64/59/897086459.db2.gz SPQNQHVMBQQNJG-SVBPBHIXSA-N 2 2 418.581 4.420 20 0 HIADLP c1ccc2c(c1)CO[C@]21CCC[NH+](CCC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)C1 ZINC000481698083 897086473 /nfs/dbraw/zinc/08/64/73/897086473.db2.gz SPQNQHVMBQQNJG-SVBPBHIXSA-N 2 2 418.581 4.420 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481716330 897108603 /nfs/dbraw/zinc/10/86/03/897108603.db2.gz KIMBIONVXDNJRN-NVQXNPDNSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481716330 897108614 /nfs/dbraw/zinc/10/86/14/897108614.db2.gz KIMBIONVXDNJRN-NVQXNPDNSA-N 3 2 406.618 4.458 20 0 HIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482037784 897454466 /nfs/dbraw/zinc/45/44/66/897454466.db2.gz XHSZDZMUBGKCQG-YLJYHZDGSA-N 2 2 414.619 4.020 20 0 HIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482037784 897454478 /nfs/dbraw/zinc/45/44/78/897454478.db2.gz XHSZDZMUBGKCQG-YLJYHZDGSA-N 2 2 414.619 4.020 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000482609247 898208569 /nfs/dbraw/zinc/20/85/69/898208569.db2.gz VMSXMILUIMWEEF-MRXNPFEDSA-N 2 2 416.367 4.381 20 0 HIADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000482627531 898231032 /nfs/dbraw/zinc/23/10/32/898231032.db2.gz HVGLGLMYFAFFJW-SFHVURJKSA-N 2 2 414.981 4.161 20 0 HIADLP C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000482678297 898280481 /nfs/dbraw/zinc/28/04/81/898280481.db2.gz CEWSLDLRAMCJGH-BBWFWOEESA-N 2 2 418.582 4.226 20 0 HIADLP C[C@@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000482678297 898280496 /nfs/dbraw/zinc/28/04/96/898280496.db2.gz CEWSLDLRAMCJGH-BBWFWOEESA-N 2 2 418.582 4.226 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000482946349 898571510 /nfs/dbraw/zinc/57/15/10/898571510.db2.gz KNBSYOAIRNVLKX-ZWKOTPCHSA-N 2 2 403.592 4.228 20 0 HIADLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1OC1CCCC1 ZINC000482951313 898579478 /nfs/dbraw/zinc/57/94/78/898579478.db2.gz UCPPGNXMKLDEQJ-AUSIDOKSSA-N 2 2 409.574 4.412 20 0 HIADLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1OC1CCCC1 ZINC000482951313 898579493 /nfs/dbraw/zinc/57/94/93/898579493.db2.gz UCPPGNXMKLDEQJ-AUSIDOKSSA-N 2 2 409.574 4.412 20 0 HIADLP CC(C)c1cccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000483343952 898976519 /nfs/dbraw/zinc/97/65/19/898976519.db2.gz RRUZKXOLMWWYQN-BJKOFHAPSA-N 2 2 414.638 4.289 20 0 HIADLP CC(C)c1cccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000483343952 898976537 /nfs/dbraw/zinc/97/65/37/898976537.db2.gz RRUZKXOLMWWYQN-BJKOFHAPSA-N 2 2 414.638 4.289 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)C3CCCC3)cc1)CCC2 ZINC000483447132 899082904 /nfs/dbraw/zinc/08/29/04/899082904.db2.gz ZPWSRQNRIVLKHQ-IEBWSBKVSA-N 2 2 401.576 4.136 20 0 HIADLP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000483649262 899306458 /nfs/dbraw/zinc/30/64/58/899306458.db2.gz DOYAGCZEQLEQAN-GOSISDBHSA-N 2 2 423.536 4.177 20 0 HIADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[C@@H]1C ZINC000483715402 899372108 /nfs/dbraw/zinc/37/21/08/899372108.db2.gz WYKSPKQRSSEEBT-ABSDTBQOSA-N 2 2 424.992 4.130 20 0 HIADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[C@@H]1C ZINC000483715402 899372122 /nfs/dbraw/zinc/37/21/22/899372122.db2.gz WYKSPKQRSSEEBT-ABSDTBQOSA-N 2 2 424.992 4.130 20 0 HIADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[C@H]1C ZINC000483715411 899372182 /nfs/dbraw/zinc/37/21/82/899372182.db2.gz WYKSPKQRSSEEBT-FUHIMQAGSA-N 2 2 424.992 4.130 20 0 HIADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[C@H]1C ZINC000483715411 899372196 /nfs/dbraw/zinc/37/21/96/899372196.db2.gz WYKSPKQRSSEEBT-FUHIMQAGSA-N 2 2 424.992 4.130 20 0 HIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483727270 899387807 /nfs/dbraw/zinc/38/78/07/899387807.db2.gz NAAUWBVBQVQUFF-UVFQYZLESA-N 2 2 410.580 4.024 20 0 HIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483727270 899387818 /nfs/dbraw/zinc/38/78/18/899387818.db2.gz NAAUWBVBQVQUFF-UVFQYZLESA-N 2 2 410.580 4.024 20 0 HIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000483812320 899489570 /nfs/dbraw/zinc/48/95/70/899489570.db2.gz ZCRYEQDQVVLEBM-CSODHUTKSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccc(Br)cc1 ZINC000483812320 899489584 /nfs/dbraw/zinc/48/95/84/899489584.db2.gz ZCRYEQDQVVLEBM-CSODHUTKSA-N 2 2 418.379 4.112 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000484067686 899699998 /nfs/dbraw/zinc/69/99/98/899699998.db2.gz IQTGFKFJJYHDFF-HXUWFJFHSA-N 2 2 400.320 4.109 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000484067686 899700006 /nfs/dbraw/zinc/70/00/06/899700006.db2.gz IQTGFKFJJYHDFF-HXUWFJFHSA-N 2 2 400.320 4.109 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1OC(F)(F)F ZINC000484126363 899748679 /nfs/dbraw/zinc/74/86/79/899748679.db2.gz FEGSCRNTBFZOAK-ILZDJORESA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1OC(F)(F)F ZINC000484126363 899748691 /nfs/dbraw/zinc/74/86/91/899748691.db2.gz FEGSCRNTBFZOAK-ILZDJORESA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)c(Br)c1 ZINC000484138553 899759024 /nfs/dbraw/zinc/75/90/24/899759024.db2.gz WECFDTGDBRDMER-XERREHJYSA-N 2 2 421.354 4.122 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)c(Br)c1 ZINC000484138553 899759036 /nfs/dbraw/zinc/75/90/36/899759036.db2.gz WECFDTGDBRDMER-XERREHJYSA-N 2 2 421.354 4.122 20 0 HIADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1OCC ZINC000484161372 899782440 /nfs/dbraw/zinc/78/24/40/899782440.db2.gz JJAANEMAXIQQIQ-WWPVKYPJSA-N 2 2 412.574 4.018 20 0 HIADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1OCC ZINC000484161372 899782451 /nfs/dbraw/zinc/78/24/51/899782451.db2.gz JJAANEMAXIQQIQ-WWPVKYPJSA-N 2 2 412.574 4.018 20 0 HIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484168062 899788287 /nfs/dbraw/zinc/78/82/87/899788287.db2.gz AAEJRRFBNLMUGN-DFBJGRDBSA-N 2 2 421.610 4.330 20 0 HIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484168062 899788294 /nfs/dbraw/zinc/78/82/94/899788294.db2.gz AAEJRRFBNLMUGN-DFBJGRDBSA-N 2 2 421.610 4.330 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000484177300 899795082 /nfs/dbraw/zinc/79/50/82/899795082.db2.gz OSHBHYLSBNQLBP-DQLDELGASA-N 2 2 405.369 4.453 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000484177300 899795094 /nfs/dbraw/zinc/79/50/94/899795094.db2.gz OSHBHYLSBNQLBP-DQLDELGASA-N 2 2 405.369 4.453 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(-c2ccncc2)c1 ZINC000484178829 899796769 /nfs/dbraw/zinc/79/67/69/899796769.db2.gz RAALKINUGQXWES-XZZVZQAVSA-N 2 2 401.554 4.282 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(-c2ccncc2)c1 ZINC000484178829 899796777 /nfs/dbraw/zinc/79/67/77/899796777.db2.gz RAALKINUGQXWES-XZZVZQAVSA-N 2 2 401.554 4.282 20 0 HIADLP COc1ccc(C[C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)c2ccc(OC)cc2)cc1 ZINC000484490132 899981712 /nfs/dbraw/zinc/98/17/12/899981712.db2.gz XBEGFOKUCVPVSQ-DHIUTWEWSA-N 2 2 400.588 4.015 20 0 HIADLP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000484508177 899998961 /nfs/dbraw/zinc/99/89/61/899998961.db2.gz ZPLVENFKRPCRBT-RTBURBONSA-N 2 2 406.530 4.067 20 0 HIADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000485998960 901215262 /nfs/dbraw/zinc/21/52/62/901215262.db2.gz DGXDMONBFDYMNF-CVDCTZTESA-N 2 2 418.541 4.244 20 0 HIADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000485998960 901215273 /nfs/dbraw/zinc/21/52/73/901215273.db2.gz DGXDMONBFDYMNF-CVDCTZTESA-N 2 2 418.541 4.244 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1cccc(Cl)c1 ZINC000487921805 902453692 /nfs/dbraw/zinc/45/36/92/902453692.db2.gz SZDASSWITVCDPE-OAHLLOKOSA-N 2 2 406.983 4.318 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000488196992 902680486 /nfs/dbraw/zinc/68/04/86/902680486.db2.gz GFASIXLMGDGAOE-SFHVURJKSA-N 2 2 400.542 4.276 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000488196992 902680496 /nfs/dbraw/zinc/68/04/96/902680496.db2.gz GFASIXLMGDGAOE-SFHVURJKSA-N 2 2 400.542 4.276 20 0 HIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnc2cccc(C)n12 ZINC000506013500 914687666 /nfs/dbraw/zinc/68/76/66/914687666.db2.gz WXFHQTXZDXRXRK-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc2cccc(C)n12 ZINC000506013500 914687685 /nfs/dbraw/zinc/68/76/85/914687685.db2.gz WXFHQTXZDXRXRK-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489331352 903334591 /nfs/dbraw/zinc/33/45/91/903334591.db2.gz OUWMLIKDQDZRTH-HXUWFJFHSA-N 2 2 413.566 4.114 20 0 HIADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489331352 903334612 /nfs/dbraw/zinc/33/46/12/903334612.db2.gz OUWMLIKDQDZRTH-HXUWFJFHSA-N 2 2 413.566 4.114 20 0 HIADLP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506035317 914720793 /nfs/dbraw/zinc/72/07/93/914720793.db2.gz FRJONJOKZXESTN-KRWDZBQOSA-N 2 2 406.521 4.317 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000489906453 903664953 /nfs/dbraw/zinc/66/49/53/903664953.db2.gz HKWQFWUCTFGUDE-IBGZPJMESA-N 2 2 421.614 4.485 20 0 HIADLP CSc1cccc([C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccc(F)c(F)c2)c1 ZINC000490158389 903800178 /nfs/dbraw/zinc/80/01/78/903800178.db2.gz RFCDNYMWKXPWJD-JOCHJYFZSA-N 2 2 406.542 4.213 20 0 HIADLP Cc1ccc(C)c([C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000490171861 903809241 /nfs/dbraw/zinc/80/92/41/903809241.db2.gz JEQHSOZKORWARQ-RUZDIDTESA-N 2 2 400.570 4.329 20 0 HIADLP Cc1nc([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490632583 904147456 /nfs/dbraw/zinc/14/74/56/904147456.db2.gz WWKUMPVIUMSAKE-PLMTUMEDSA-N 2 2 416.997 4.322 20 0 HIADLP Cc1nc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490632583 904147467 /nfs/dbraw/zinc/14/74/67/904147467.db2.gz WWKUMPVIUMSAKE-PLMTUMEDSA-N 2 2 416.997 4.322 20 0 HIADLP CCOc1ccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000491024571 904374617 /nfs/dbraw/zinc/37/46/17/904374617.db2.gz UEFHSIQMLYSHPN-WZONZLPQSA-N 2 2 401.982 4.054 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H](c3cnn(C)c3)c3cccc(F)c3)cc2)C[C@H](C)O1 ZINC000491316110 904532641 /nfs/dbraw/zinc/53/26/41/904532641.db2.gz KDAHGVXUKIFEAX-HHJKRLRDSA-N 2 2 422.548 4.048 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H](c3cnn(C)c3)c3cccc(F)c3)cc2)C[C@H](C)O1 ZINC000491316110 904532658 /nfs/dbraw/zinc/53/26/58/904532658.db2.gz KDAHGVXUKIFEAX-HHJKRLRDSA-N 2 2 422.548 4.048 20 0 HIADLP CC(C)C[C@@H](CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000491875137 904718790 /nfs/dbraw/zinc/71/87/90/904718790.db2.gz JLSVYJALKPDWMJ-KNQAVFIVSA-N 2 2 420.561 4.213 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000492227109 904818915 /nfs/dbraw/zinc/81/89/15/904818915.db2.gz QDWSUBXKEWIGOA-FQELHTAISA-N 2 2 421.354 4.264 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000492227109 904818916 /nfs/dbraw/zinc/81/89/16/904818916.db2.gz QDWSUBXKEWIGOA-FQELHTAISA-N 2 2 421.354 4.264 20 0 HIADLP C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492349733 904836608 /nfs/dbraw/zinc/83/66/08/904836608.db2.gz GYDGCABYVAGUAK-UNMCSNQZSA-N 2 2 400.570 4.361 20 0 HIADLP C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492349733 904836610 /nfs/dbraw/zinc/83/66/10/904836610.db2.gz GYDGCABYVAGUAK-UNMCSNQZSA-N 2 2 400.570 4.361 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494404550 905696368 /nfs/dbraw/zinc/69/63/68/905696368.db2.gz KRHLWGPYOJSHGA-KRWDZBQOSA-N 2 2 414.351 4.059 20 0 HIADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000494880256 906057653 /nfs/dbraw/zinc/05/76/53/906057653.db2.gz RXEBNJIYDKJTPW-BWKNWUBXSA-N 2 2 411.565 4.095 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184257 906293863 /nfs/dbraw/zinc/29/38/63/906293863.db2.gz OOXUHXXYHPZDPX-CDMIOBSGSA-N 2 2 419.400 4.467 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184257 906293877 /nfs/dbraw/zinc/29/38/77/906293877.db2.gz OOXUHXXYHPZDPX-CDMIOBSGSA-N 2 2 419.400 4.467 20 0 HIADLP COc1cc(Br)c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000495184472 906295083 /nfs/dbraw/zinc/29/50/83/906295083.db2.gz PSHCYSVEBKPECL-DOTOQJQBSA-N 2 2 419.363 4.164 20 0 HIADLP COc1cc(Br)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000495184472 906295108 /nfs/dbraw/zinc/29/51/08/906295108.db2.gz PSHCYSVEBKPECL-DOTOQJQBSA-N 2 2 419.363 4.164 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497492320 906976351 /nfs/dbraw/zinc/97/63/51/906976351.db2.gz QHTDBAHYWFZVTB-GOTSBHOMSA-N 2 2 413.512 4.126 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497492320 906976370 /nfs/dbraw/zinc/97/63/70/906976370.db2.gz QHTDBAHYWFZVTB-GOTSBHOMSA-N 2 2 413.512 4.126 20 0 HIADLP C[C@@H]1CCC[C@H](OCCCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000499421117 908787181 /nfs/dbraw/zinc/78/71/81/908787181.db2.gz LNYGFPYPHYFQHB-PKTZIBPZSA-N 2 2 421.670 4.209 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000513032506 921492063 /nfs/dbraw/zinc/49/20/63/921492063.db2.gz MOQPXTODVZHFTP-UHFFFAOYSA-N 2 2 405.384 4.214 20 0 HIADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2cccs2)cc1 ZINC000503053303 912016977 /nfs/dbraw/zinc/01/69/77/912016977.db2.gz OKFXBKFEZMOGMF-RFWXGWTQSA-N 2 2 408.571 4.042 20 0 HIADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c2cccs2)cc1 ZINC000503053299 912017761 /nfs/dbraw/zinc/01/77/61/912017761.db2.gz OKFXBKFEZMOGMF-LEDOBFOHSA-N 2 2 408.571 4.042 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@H]1n1cc[nH+]c1 ZINC000503064110 912030046 /nfs/dbraw/zinc/03/00/46/912030046.db2.gz PQCBFVZVLRVXDU-WIYYLYMNSA-N 2 2 421.570 4.092 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@H]1n1cc[nH+]c1 ZINC000503064110 912030064 /nfs/dbraw/zinc/03/00/64/912030064.db2.gz PQCBFVZVLRVXDU-WIYYLYMNSA-N 2 2 421.570 4.092 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000503070806 912038209 /nfs/dbraw/zinc/03/82/09/912038209.db2.gz DNSOAUXKKGRAMO-BLLLJJGKSA-N 2 2 400.832 4.077 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000503070806 912038226 /nfs/dbraw/zinc/03/82/26/912038226.db2.gz DNSOAUXKKGRAMO-BLLLJJGKSA-N 2 2 400.832 4.077 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503085101 912054599 /nfs/dbraw/zinc/05/45/99/912054599.db2.gz DCCAGUKEZYMPNE-VIZSFHNOSA-N 2 2 402.542 4.060 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503085101 912054611 /nfs/dbraw/zinc/05/46/11/912054611.db2.gz DCCAGUKEZYMPNE-VIZSFHNOSA-N 2 2 402.542 4.060 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000507892538 916745095 /nfs/dbraw/zinc/74/50/95/916745095.db2.gz HADMZIIYLBZZAK-XNJGSVPQSA-N 2 2 414.859 4.465 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000507892538 916745116 /nfs/dbraw/zinc/74/51/16/916745116.db2.gz HADMZIIYLBZZAK-XNJGSVPQSA-N 2 2 414.859 4.465 20 0 HIADLP CNC(=O)c1ccc(C[NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000507945079 916810844 /nfs/dbraw/zinc/81/08/44/916810844.db2.gz JWDARFBRQRPDFM-UHFFFAOYSA-N 2 2 419.491 4.161 20 0 HIADLP CNC(=O)c1ccc(C[NH+]2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000507945079 916810849 /nfs/dbraw/zinc/81/08/49/916810849.db2.gz JWDARFBRQRPDFM-UHFFFAOYSA-N 2 2 419.491 4.161 20 0 HIADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3csc(C(C)C)n3)CC2)c1C ZINC000509056614 917806443 /nfs/dbraw/zinc/80/64/43/917806443.db2.gz OGVVAIPDRJLNNY-UHFFFAOYSA-N 2 2 402.608 4.383 20 0 HIADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3csc(C(C)C)n3)CC2)c1C ZINC000509056614 917806450 /nfs/dbraw/zinc/80/64/50/917806450.db2.gz OGVVAIPDRJLNNY-UHFFFAOYSA-N 2 2 402.608 4.383 20 0 HIADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000509431521 918089676 /nfs/dbraw/zinc/08/96/76/918089676.db2.gz PVYNYADEEYEEAP-FQEVSTJZSA-N 2 2 403.929 4.017 20 0 HIADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)CCOCC1)c1ccccc1 ZINC000509460004 918110622 /nfs/dbraw/zinc/11/06/22/918110622.db2.gz TUOJZUIYSOITAF-SFHVURJKSA-N 2 2 410.587 4.138 20 0 HIADLP COCc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510906023 919408647 /nfs/dbraw/zinc/40/86/47/919408647.db2.gz UQKBKICCYIQXGM-UHFFFAOYSA-N 2 2 404.308 4.087 20 0 HIADLP COCc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510906023 919408662 /nfs/dbraw/zinc/40/86/62/919408662.db2.gz UQKBKICCYIQXGM-UHFFFAOYSA-N 2 2 404.308 4.087 20 0 HIADLP Brc1ccc(C[N@H+](CCCCC2CCOCC2)CCn2cc[nH+]c2)o1 ZINC000510907545 919408750 /nfs/dbraw/zinc/40/87/50/919408750.db2.gz XXRBCUHGNNZDBO-UHFFFAOYSA-N 2 2 410.356 4.338 20 0 HIADLP Brc1ccc(C[N@@H+](CCCCC2CCOCC2)CCn2cc[nH+]c2)o1 ZINC000510907545 919408782 /nfs/dbraw/zinc/40/87/82/919408782.db2.gz XXRBCUHGNNZDBO-UHFFFAOYSA-N 2 2 410.356 4.338 20 0 HIADLP C[C@H](Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)C1=CC[N@H+](C)CC1 ZINC000511375380 919973230 /nfs/dbraw/zinc/97/32/30/919973230.db2.gz CXFCDYYXAPDFPH-INIZCTEOSA-N 2 2 407.587 4.482 20 0 HIADLP C[C@H](Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)C1=CC[N@@H+](C)CC1 ZINC000511375380 919973239 /nfs/dbraw/zinc/97/32/39/919973239.db2.gz CXFCDYYXAPDFPH-INIZCTEOSA-N 2 2 407.587 4.482 20 0 HIADLP C[C@@H](Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)C1=CC[N@H+](C)CC1 ZINC000511375382 919973516 /nfs/dbraw/zinc/97/35/16/919973516.db2.gz CXFCDYYXAPDFPH-MRXNPFEDSA-N 2 2 407.587 4.482 20 0 HIADLP C[C@@H](Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)C1=CC[N@@H+](C)CC1 ZINC000511375382 919973534 /nfs/dbraw/zinc/97/35/34/919973534.db2.gz CXFCDYYXAPDFPH-MRXNPFEDSA-N 2 2 407.587 4.482 20 0 HIADLP C[NH+](C)Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000511889855 920624285 /nfs/dbraw/zinc/62/42/85/920624285.db2.gz DEKRXUKOYJNNIL-UHFFFAOYSA-N 2 2 406.555 4.015 20 0 HIADLP C[NH+](C)Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000511889855 920624307 /nfs/dbraw/zinc/62/43/07/920624307.db2.gz DEKRXUKOYJNNIL-UHFFFAOYSA-N 2 2 406.555 4.015 20 0 HIADLP CC(C)N1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000511925356 920673627 /nfs/dbraw/zinc/67/36/27/920673627.db2.gz YBGXKVDRYLDDNY-UYAOXDASSA-N 2 2 410.990 4.311 20 0 HIADLP Cc1cc(Cl)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000511994574 920763396 /nfs/dbraw/zinc/76/33/96/920763396.db2.gz VNWGSEKKDMXQJA-VXKWHMMOSA-N 2 2 406.014 4.366 20 0 HIADLP Cc1cc(Cl)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000511994574 920763417 /nfs/dbraw/zinc/76/34/17/920763417.db2.gz VNWGSEKKDMXQJA-VXKWHMMOSA-N 2 2 406.014 4.366 20 0 HIADLP FC(F)(F)c1ccc(-n2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cn2)cc1 ZINC000512087987 920851740 /nfs/dbraw/zinc/85/17/40/920851740.db2.gz MQYRGDKZWYTTLF-UHFFFAOYSA-N 2 2 401.436 4.045 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC(F)F ZINC000512274873 921029891 /nfs/dbraw/zinc/02/98/91/921029891.db2.gz BXXZUCRMUVHZIU-HSZRJFAPSA-N 2 2 402.485 4.395 20 0 HIADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC(F)F ZINC000512274873 921029905 /nfs/dbraw/zinc/02/99/05/921029905.db2.gz BXXZUCRMUVHZIU-HSZRJFAPSA-N 2 2 402.485 4.395 20 0 HIADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC(F)F ZINC000512274873 921029921 /nfs/dbraw/zinc/02/99/21/921029921.db2.gz BXXZUCRMUVHZIU-HSZRJFAPSA-N 2 2 402.485 4.395 20 0 HIADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC(F)F ZINC000512274873 921029936 /nfs/dbraw/zinc/02/99/36/921029936.db2.gz BXXZUCRMUVHZIU-HSZRJFAPSA-N 2 2 402.485 4.395 20 0 HIADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513473205 921832760 /nfs/dbraw/zinc/83/27/60/921832760.db2.gz UEPSBQBILIUQGE-UHFFFAOYSA-N 2 2 422.525 4.324 20 0 HIADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513473205 921832768 /nfs/dbraw/zinc/83/27/68/921832768.db2.gz UEPSBQBILIUQGE-UHFFFAOYSA-N 2 2 422.525 4.324 20 0 HIADLP C[N@H+](Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C1CC[NH+](CCO)CC1 ZINC000513569962 921903046 /nfs/dbraw/zinc/90/30/46/921903046.db2.gz YQMSEYWJYLFMHH-UHFFFAOYSA-N 2 2 423.384 4.461 20 0 HIADLP C[N@@H+](Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C1CC[NH+](CCO)CC1 ZINC000513569962 921903054 /nfs/dbraw/zinc/90/30/54/921903054.db2.gz YQMSEYWJYLFMHH-UHFFFAOYSA-N 2 2 423.384 4.461 20 0 HIADLP CN(c1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000513750992 922070955 /nfs/dbraw/zinc/07/09/55/922070955.db2.gz UBJXFPNZPKCKCZ-DEOSSOPVSA-N 2 2 413.993 4.444 20 0 HIADLP CN(c1ccccc1C[N@H+]1CCO[C@H](c2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000513750992 922070970 /nfs/dbraw/zinc/07/09/70/922070970.db2.gz UBJXFPNZPKCKCZ-DEOSSOPVSA-N 2 2 413.993 4.444 20 0 HIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1cc2c(C)nn(C)c2s1)c1ccccc1 ZINC000515688699 923272609 /nfs/dbraw/zinc/27/26/09/923272609.db2.gz WIUKTWAESKQEEJ-PXNSSMCTSA-N 2 2 400.592 4.303 20 0 HIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1cc2c(C)nn(C)c2s1)c1ccccc1 ZINC000515688699 923272627 /nfs/dbraw/zinc/27/26/27/923272627.db2.gz WIUKTWAESKQEEJ-PXNSSMCTSA-N 2 2 400.592 4.303 20 0 HIADLP CC1CC[NH+]([C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccc2)CC1 ZINC000516641106 923826641 /nfs/dbraw/zinc/82/66/41/923826641.db2.gz LPAKWQVHTYHUHB-DEOSSOPVSA-N 2 2 417.557 4.145 20 0 HIADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000516997047 923958447 /nfs/dbraw/zinc/95/84/47/923958447.db2.gz ACHJLGQLHHCLRI-UHFFFAOYSA-N 2 2 418.384 4.193 20 0 HIADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3csc(Cl)c3Cl)CC2)C[C@@H](C)O1 ZINC000516997785 923960087 /nfs/dbraw/zinc/96/00/87/923960087.db2.gz MBWJQWKOXSVTJL-ZIAGYGMSSA-N 2 2 407.407 4.145 20 0 HIADLP Cc1cc([C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)c2cccnc2)ccc1F ZINC000517429328 924178434 /nfs/dbraw/zinc/17/84/34/924178434.db2.gz RVUHAQOSZJSVET-XMMPIXPASA-N 2 2 408.521 4.134 20 0 HIADLP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000520186064 928374859 /nfs/dbraw/zinc/37/48/59/928374859.db2.gz XEUVUVYZGZZSII-QHCPKHFHSA-N 2 2 409.599 4.054 20 0 HIADLP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000520287170 928449692 /nfs/dbraw/zinc/44/96/92/928449692.db2.gz JFRYYVBQSFZZFE-QHCPKHFHSA-N 2 2 423.605 4.034 20 0 HIADLP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000521431635 929218921 /nfs/dbraw/zinc/21/89/21/929218921.db2.gz DVNBSXOECCUEEN-MRXNPFEDSA-N 2 2 410.400 4.138 20 0 HIADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000521821225 929477875 /nfs/dbraw/zinc/47/78/75/929477875.db2.gz JLYRHDLIUNPDTO-UHFFFAOYSA-N 2 2 406.368 4.243 20 0 HIADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000521821225 929477885 /nfs/dbraw/zinc/47/78/85/929477885.db2.gz JLYRHDLIUNPDTO-UHFFFAOYSA-N 2 2 406.368 4.243 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000521844729 929497193 /nfs/dbraw/zinc/49/71/93/929497193.db2.gz RBJZFLGKRJRTBZ-HXUWFJFHSA-N 2 2 415.541 4.229 20 0 HIADLP CCc1ccc(-c2ccc(C[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)o2)cc1 ZINC000524773340 929824759 /nfs/dbraw/zinc/82/47/59/929824759.db2.gz IISFRJPFCWKCTF-UHFFFAOYSA-N 2 2 417.553 4.186 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1cccs1 ZINC000525103664 930037666 /nfs/dbraw/zinc/03/76/66/930037666.db2.gz BPWHAPSASILKAP-QFIPXVFZSA-N 2 2 407.583 4.169 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Br)s1 ZINC000530710742 930804142 /nfs/dbraw/zinc/80/41/42/930804142.db2.gz HGQWCZMRILIJQA-UHFFFAOYSA-N 3 2 414.457 4.139 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(Br)s1 ZINC000530710742 930804146 /nfs/dbraw/zinc/80/41/46/930804146.db2.gz HGQWCZMRILIJQA-UHFFFAOYSA-N 3 2 414.457 4.139 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000530808818 930829298 /nfs/dbraw/zinc/82/92/98/930829298.db2.gz ZZRGHPDIHSJDAU-UHFFFAOYSA-N 2 2 422.495 4.196 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(C(F)(F)F)c1 ZINC000530815151 930830560 /nfs/dbraw/zinc/83/05/60/930830560.db2.gz LGNVFILSUZLYAR-FUHWJXTLSA-N 2 2 408.468 4.218 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000530818419 930831170 /nfs/dbraw/zinc/83/11/70/930831170.db2.gz PMJMLEAZLZKGHH-IBGZPJMESA-N 2 2 408.468 4.149 20 0 HIADLP C[C@H]([NH2+][C@@H](C)c1c(F)cccc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000531204592 930964703 /nfs/dbraw/zinc/96/47/03/930964703.db2.gz KCYABKRUOMFIBY-IRXDYDNUSA-N 2 2 417.956 4.299 20 0 HIADLP C[C@@H](c1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000531293395 931004849 /nfs/dbraw/zinc/00/48/49/931004849.db2.gz QNALFQPWPZIVHI-RDPSFJRHSA-N 2 2 407.558 4.073 20 0 HIADLP C[C@@H](c1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000531293395 931004857 /nfs/dbraw/zinc/00/48/57/931004857.db2.gz QNALFQPWPZIVHI-RDPSFJRHSA-N 2 2 407.558 4.073 20 0 HIADLP Cc1ccc(-c2nc(C[NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)co2)cc1 ZINC000531595318 931114562 /nfs/dbraw/zinc/11/45/62/931114562.db2.gz KHGIRGDCOHTCNO-UHFFFAOYSA-N 2 2 404.558 4.470 20 0 HIADLP CCCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000531706126 931166791 /nfs/dbraw/zinc/16/67/91/931166791.db2.gz RGANXGZAUKECKX-QHCPKHFHSA-N 2 2 400.611 4.247 20 0 HIADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000531905933 931243396 /nfs/dbraw/zinc/24/33/96/931243396.db2.gz ZMNYNFOEZZWAHU-FQEVSTJZSA-N 2 2 423.523 4.147 20 0 HIADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000531905933 931243405 /nfs/dbraw/zinc/24/34/05/931243405.db2.gz ZMNYNFOEZZWAHU-FQEVSTJZSA-N 2 2 423.523 4.147 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000531967063 931269567 /nfs/dbraw/zinc/26/95/67/931269567.db2.gz QKQPFRVIFVTEQN-PXNSSMCTSA-N 2 2 415.965 4.320 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000531967063 931269576 /nfs/dbraw/zinc/26/95/76/931269576.db2.gz QKQPFRVIFVTEQN-PXNSSMCTSA-N 2 2 415.965 4.320 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000531967064 931269691 /nfs/dbraw/zinc/26/96/91/931269691.db2.gz QKQPFRVIFVTEQN-XLIONFOSSA-N 2 2 415.965 4.320 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000531967064 931269701 /nfs/dbraw/zinc/26/97/01/931269701.db2.gz QKQPFRVIFVTEQN-XLIONFOSSA-N 2 2 415.965 4.320 20 0 HIADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000532016225 931285324 /nfs/dbraw/zinc/28/53/24/931285324.db2.gz MHPKJNUPKOGDCE-VQTJNVASSA-N 2 2 419.363 4.177 20 0 HIADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000532016224 931285577 /nfs/dbraw/zinc/28/55/77/931285577.db2.gz MHPKJNUPKOGDCE-UXHICEINSA-N 2 2 419.363 4.177 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000532447215 931438483 /nfs/dbraw/zinc/43/84/83/931438483.db2.gz XOLMLCVXUDWROK-NRFANRHFSA-N 3 2 417.601 4.169 20 0 HIADLP C[C@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000532486846 931457457 /nfs/dbraw/zinc/45/74/57/931457457.db2.gz VLMSKJBWHCHMMY-LSDHHAIUSA-N 2 2 402.608 4.246 20 0 HIADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000532497092 931462072 /nfs/dbraw/zinc/46/20/72/931462072.db2.gz CINIPWCHLUZLNV-KNQAVFIVSA-N 2 2 406.599 4.449 20 0 HIADLP CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532732604 931616111 /nfs/dbraw/zinc/61/61/11/931616111.db2.gz PDCMWLQPDWIOAQ-HXUWFJFHSA-N 2 2 417.642 4.092 20 0 HIADLP CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532732604 931616114 /nfs/dbraw/zinc/61/61/14/931616114.db2.gz PDCMWLQPDWIOAQ-HXUWFJFHSA-N 2 2 417.642 4.092 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3csc(COc4ccccc4)n3)[nH+]c2)CC1 ZINC000532866262 931672119 /nfs/dbraw/zinc/67/21/19/931672119.db2.gz GBFBFIQYTZGVHR-UHFFFAOYSA-N 2 2 423.586 4.260 20 0 HIADLP CC[N@@H+](Cc1ccc(OCc2nccn2C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000532983285 931725853 /nfs/dbraw/zinc/72/58/53/931725853.db2.gz UCGHVGQNDODUPP-UHFFFAOYSA-N 2 2 419.573 4.133 20 0 HIADLP CC[N@H+](Cc1ccc(OCc2nccn2C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000532983285 931725858 /nfs/dbraw/zinc/72/58/58/931725858.db2.gz UCGHVGQNDODUPP-UHFFFAOYSA-N 2 2 419.573 4.133 20 0 HIADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000533187752 931804714 /nfs/dbraw/zinc/80/47/14/931804714.db2.gz KPOPBEKZQCEFIB-KDOFPFPSSA-N 2 2 411.493 4.039 20 0 HIADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000533187752 931804715 /nfs/dbraw/zinc/80/47/15/931804715.db2.gz KPOPBEKZQCEFIB-KDOFPFPSSA-N 2 2 411.493 4.039 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c2cccs2)cc1 ZINC000533347834 931844592 /nfs/dbraw/zinc/84/45/92/931844592.db2.gz REMJADJBPNWNRE-QHCPKHFHSA-N 2 2 408.571 4.050 20 0 HIADLP CCn1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000533646842 931943455 /nfs/dbraw/zinc/94/34/55/931943455.db2.gz FLVSSMMNLLYGGT-PKTZIBPZSA-N 2 2 410.606 4.070 20 0 HIADLP CCn1c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000533646842 931943462 /nfs/dbraw/zinc/94/34/62/931943462.db2.gz FLVSSMMNLLYGGT-PKTZIBPZSA-N 2 2 410.606 4.070 20 0 HIADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533880701 932077774 /nfs/dbraw/zinc/07/77/74/932077774.db2.gz SHLHZCYOBADRJB-CEXWTWQISA-N 2 2 407.562 4.090 20 0 HIADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000533880701 932077779 /nfs/dbraw/zinc/07/77/79/932077779.db2.gz SHLHZCYOBADRJB-CEXWTWQISA-N 2 2 407.562 4.090 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534125761 932292518 /nfs/dbraw/zinc/29/25/18/932292518.db2.gz XCDUTMBOAMYVDT-CTNGQTDRSA-N 2 2 411.933 4.323 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534125761 932292522 /nfs/dbraw/zinc/29/25/22/932292522.db2.gz XCDUTMBOAMYVDT-CTNGQTDRSA-N 2 2 411.933 4.323 20 0 HIADLP Cc1cc(Cl)ccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213057 932334788 /nfs/dbraw/zinc/33/47/88/932334788.db2.gz BKRAPTJGAGQTSQ-NHCUHLMSSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cc(Cl)ccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213057 932334798 /nfs/dbraw/zinc/33/47/98/932334798.db2.gz BKRAPTJGAGQTSQ-NHCUHLMSSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534213722 932335811 /nfs/dbraw/zinc/33/58/11/932335811.db2.gz SZGKFQVRYATCHP-FCHUYYIVSA-N 2 2 400.611 4.413 20 0 HIADLP Cc1cc(C)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534213722 932335817 /nfs/dbraw/zinc/33/58/17/932335817.db2.gz SZGKFQVRYATCHP-FCHUYYIVSA-N 2 2 400.611 4.413 20 0 HIADLP C[C@@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228058 932348031 /nfs/dbraw/zinc/34/80/31/932348031.db2.gz AKUBCBXSLJOUAY-SFHVURJKSA-N 2 2 413.512 4.280 20 0 HIADLP C[C@@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534228058 932348037 /nfs/dbraw/zinc/34/80/37/932348037.db2.gz AKUBCBXSLJOUAY-SFHVURJKSA-N 2 2 413.512 4.280 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000534360688 932394191 /nfs/dbraw/zinc/39/41/91/932394191.db2.gz PDVYRFRCSONNPB-CGTJXYLNSA-N 2 2 412.043 4.301 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000534360688 932394193 /nfs/dbraw/zinc/39/41/93/932394193.db2.gz PDVYRFRCSONNPB-CGTJXYLNSA-N 2 2 412.043 4.301 20 0 HIADLP CN(C(=O)NCc1ccc2ccccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534383778 932409425 /nfs/dbraw/zinc/40/94/25/932409425.db2.gz GKRNCAQGWKNJCX-JWQCQUIFSA-N 2 2 422.617 4.318 20 0 HIADLP CN(C(=O)NCc1ccc2ccccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534383778 932409432 /nfs/dbraw/zinc/40/94/32/932409432.db2.gz GKRNCAQGWKNJCX-JWQCQUIFSA-N 2 2 422.617 4.318 20 0 HIADLP CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096566 932913021 /nfs/dbraw/zinc/91/30/21/932913021.db2.gz SLAVCJSMMHWYCP-UXHICEINSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096566 932913029 /nfs/dbraw/zinc/91/30/29/932913029.db2.gz SLAVCJSMMHWYCP-UXHICEINSA-N 2 2 412.405 4.403 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000535327710 933075644 /nfs/dbraw/zinc/07/56/44/933075644.db2.gz QIAPDLMBCFFYMV-WMZHIEFXSA-N 2 2 417.557 4.082 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000535327710 933075652 /nfs/dbraw/zinc/07/56/52/933075652.db2.gz QIAPDLMBCFFYMV-WMZHIEFXSA-N 2 2 417.557 4.082 20 0 HIADLP CCOc1cc(C)ccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535643556 933283264 /nfs/dbraw/zinc/28/32/64/933283264.db2.gz ZSQZKKNZMJESQF-FGZHOGPDSA-N 2 2 416.610 4.195 20 0 HIADLP CCOc1cc(C)ccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535643556 933283277 /nfs/dbraw/zinc/28/32/77/933283277.db2.gz ZSQZKKNZMJESQF-FGZHOGPDSA-N 2 2 416.610 4.195 20 0 HIADLP CCc1cccc(C)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535663182 933308170 /nfs/dbraw/zinc/30/81/70/933308170.db2.gz YWFBBUQOFMQESY-FGZHOGPDSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1cccc(C)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535663182 933308182 /nfs/dbraw/zinc/30/81/82/933308182.db2.gz YWFBBUQOFMQESY-FGZHOGPDSA-N 2 2 400.611 4.358 20 0 HIADLP Cc1nc(-c2ccccc2)oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849675 933431688 /nfs/dbraw/zinc/43/16/88/933431688.db2.gz MBIVUGPZLIXUHD-FCHUYYIVSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1nc(-c2ccccc2)oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849675 933431692 /nfs/dbraw/zinc/43/16/92/933431692.db2.gz MBIVUGPZLIXUHD-FCHUYYIVSA-N 2 2 424.589 4.059 20 0 HIADLP CN(C(=O)C/C=C/c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851448 933433775 /nfs/dbraw/zinc/43/37/75/933433775.db2.gz AFAADWMHXRNPQP-MSBUJNCRSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)C/C=C/c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851448 933433780 /nfs/dbraw/zinc/43/37/80/933433780.db2.gz AFAADWMHXRNPQP-MSBUJNCRSA-N 2 2 401.570 4.025 20 0 HIADLP Cc1ccc2c(CC(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)coc2c1 ZINC000535853693 933437650 /nfs/dbraw/zinc/43/76/50/933437650.db2.gz DBNMLAIIMSIFAC-PKTZIBPZSA-N 2 2 411.590 4.079 20 0 HIADLP Cc1ccc2c(CC(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)coc2c1 ZINC000535853693 933437659 /nfs/dbraw/zinc/43/76/59/933437659.db2.gz DBNMLAIIMSIFAC-PKTZIBPZSA-N 2 2 411.590 4.079 20 0 HIADLP Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855517 933439209 /nfs/dbraw/zinc/43/92/09/933439209.db2.gz MIMFMJYNJVAMFW-DHIUTWEWSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855517 933439214 /nfs/dbraw/zinc/43/92/14/933439214.db2.gz MIMFMJYNJVAMFW-DHIUTWEWSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855527 933439531 /nfs/dbraw/zinc/43/95/31/933439531.db2.gz MIMFMJYNJVAMFW-XZOQPEGZSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855527 933439537 /nfs/dbraw/zinc/43/95/37/933439537.db2.gz MIMFMJYNJVAMFW-XZOQPEGZSA-N 2 2 410.606 4.194 20 0 HIADLP CC[NH+](CC)CC1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000536081351 933630648 /nfs/dbraw/zinc/63/06/48/933630648.db2.gz LTCGXBCSAIKPFR-UHFFFAOYSA-N 2 2 407.562 4.188 20 0 HIADLP Cc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000537607166 938332395 /nfs/dbraw/zinc/33/23/95/938332395.db2.gz OXSWBFZLDJYXQU-HSZRJFAPSA-N 2 2 411.571 4.063 20 0 HIADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCC ZINC000537660933 938349141 /nfs/dbraw/zinc/34/91/41/938349141.db2.gz JPFANGKLGGKRIW-HXUWFJFHSA-N 2 2 424.029 4.128 20 0 HIADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCC ZINC000537660933 938349144 /nfs/dbraw/zinc/34/91/44/938349144.db2.gz JPFANGKLGGKRIW-HXUWFJFHSA-N 2 2 424.029 4.128 20 0 HIADLP C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000537885023 938399692 /nfs/dbraw/zinc/39/96/92/938399692.db2.gz XNRLZUAJMGARGU-CVEARBPZSA-N 2 2 402.583 4.325 20 0 HIADLP COc1ccccc1[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000538101549 938503165 /nfs/dbraw/zinc/50/31/65/938503165.db2.gz VYWCCZIRUDWQKM-SANMLTNESA-N 2 2 424.585 4.427 20 0 HIADLP CCC(CC)[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000538177129 938537555 /nfs/dbraw/zinc/53/75/55/938537555.db2.gz QKAMJJUPRJLGSS-QHCPKHFHSA-N 2 2 415.603 4.286 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)CC1 ZINC000538210549 938557632 /nfs/dbraw/zinc/55/76/32/938557632.db2.gz KFXQDLPSGLZTAN-KRWDZBQOSA-N 2 2 407.537 4.070 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1c(F)cccc1Cl ZINC000538275392 938581273 /nfs/dbraw/zinc/58/12/73/938581273.db2.gz CZZMKAZUPCTTIV-HNNXBMFYSA-N 2 2 421.969 4.317 20 0 HIADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)oc21 ZINC000538395054 938610099 /nfs/dbraw/zinc/61/00/99/938610099.db2.gz XHEFIBJENAUTSC-BWAGFHJFSA-N 2 2 408.542 4.365 20 0 HIADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)oc21 ZINC000538395054 938610100 /nfs/dbraw/zinc/61/01/00/938610100.db2.gz XHEFIBJENAUTSC-BWAGFHJFSA-N 2 2 408.542 4.365 20 0 HIADLP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)oc21 ZINC000538398781 938611215 /nfs/dbraw/zinc/61/12/15/938611215.db2.gz TZSWSYCRILEZCG-LJQANCHMSA-N 2 2 424.541 4.393 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3C[C@H]4CCC(C)(C)c5cccc3c54)CC2)CC1 ZINC000538456881 938626675 /nfs/dbraw/zinc/62/66/75/938626675.db2.gz JUBNTXZVVAYVSX-JPYJTQIMSA-N 2 2 424.633 4.144 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCc4c3cccc4Br)[nH+]c2)CC1 ZINC000538587689 938656059 /nfs/dbraw/zinc/65/60/59/938656059.db2.gz VFYRDGRJCPEEKE-FQEVSTJZSA-N 2 2 415.379 4.474 20 0 HIADLP C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539021180 938771284 /nfs/dbraw/zinc/77/12/84/938771284.db2.gz UWUQMPUCPXKHBD-HXUWFJFHSA-N 2 2 402.542 4.147 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000539040350 938778349 /nfs/dbraw/zinc/77/83/49/938778349.db2.gz PBCIKXAQOUHUHL-MGPUTAFESA-N 2 2 406.343 4.026 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000539040350 938778351 /nfs/dbraw/zinc/77/83/51/938778351.db2.gz PBCIKXAQOUHUHL-MGPUTAFESA-N 2 2 406.343 4.026 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c(C)c1 ZINC000539050228 938783158 /nfs/dbraw/zinc/78/31/58/938783158.db2.gz HLANKYXSOHJUAP-UWJYYQICSA-N 2 2 415.534 4.135 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539060113 938787896 /nfs/dbraw/zinc/78/78/96/938787896.db2.gz NCHJXMOTEWGHMC-SJORKVTESA-N 2 2 403.448 4.393 20 0 HIADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000539261354 938829123 /nfs/dbraw/zinc/82/91/23/938829123.db2.gz OOULZKAQOGYHKH-DEOSSOPVSA-N 2 2 409.574 4.143 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000539313071 938839339 /nfs/dbraw/zinc/83/93/39/938839339.db2.gz OIVQBDKEBSIYFP-HNNXBMFYSA-N 2 2 400.473 4.099 20 0 HIADLP COc1cc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1OC(F)F ZINC000539692005 938903271 /nfs/dbraw/zinc/90/32/71/938903271.db2.gz WFWZMZWWVQFPHY-OAHLLOKOSA-N 2 2 420.504 4.395 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000540147793 939091640 /nfs/dbraw/zinc/09/16/40/939091640.db2.gz ZFAPNAWOFMUFGI-LAUBAEHRSA-N 2 2 407.480 4.161 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000540147793 939091644 /nfs/dbraw/zinc/09/16/44/939091644.db2.gz ZFAPNAWOFMUFGI-LAUBAEHRSA-N 2 2 407.480 4.161 20 0 HIADLP CCOCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540554064 939302986 /nfs/dbraw/zinc/30/29/86/939302986.db2.gz JYNNHWVCNBYSTA-DHIUTWEWSA-N 2 2 416.610 4.024 20 0 HIADLP CCOCc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540554064 939302990 /nfs/dbraw/zinc/30/29/90/939302990.db2.gz JYNNHWVCNBYSTA-DHIUTWEWSA-N 2 2 416.610 4.024 20 0 HIADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)NCCc1cccc(Cl)c1Cl ZINC000541202435 939485379 /nfs/dbraw/zinc/48/53/79/939485379.db2.gz JXMLIOBHYVYMQK-UHFFFAOYSA-N 2 2 423.388 4.041 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccco1 ZINC000541396984 939504824 /nfs/dbraw/zinc/50/48/24/939504824.db2.gz ZQUHAJZHLSQORA-TZIWHRDSSA-N 2 2 412.578 4.286 20 0 HIADLP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000541406707 939507643 /nfs/dbraw/zinc/50/76/43/939507643.db2.gz PBFSHVHMLZYSEN-ISKFKSNPSA-N 2 2 422.617 4.475 20 0 HIADLP Cc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)n2)cc1 ZINC000541599448 939563762 /nfs/dbraw/zinc/56/37/62/939563762.db2.gz MVWYSJGVAACAMJ-HKUYNNGSSA-N 2 2 412.603 4.300 20 0 HIADLP Cc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)n2)cc1 ZINC000541599448 939563764 /nfs/dbraw/zinc/56/37/64/939563764.db2.gz MVWYSJGVAACAMJ-HKUYNNGSSA-N 2 2 412.603 4.300 20 0 HIADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000541769556 939626451 /nfs/dbraw/zinc/62/64/51/939626451.db2.gz IUCZAVZRVBPGRM-NZQKXSOJSA-N 2 2 411.571 4.002 20 0 HIADLP CC(C)[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000541913410 939651824 /nfs/dbraw/zinc/65/18/24/939651824.db2.gz JOPPFPKGECHJPI-QHCPKHFHSA-N 2 2 404.501 4.163 20 0 HIADLP C[C@H]1C[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000542113680 939718511 /nfs/dbraw/zinc/71/85/11/939718511.db2.gz XNTHCCRDDKRNQG-URXFXBBRSA-N 2 2 423.605 4.138 20 0 HIADLP C[C@H]1C[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000542113680 939718517 /nfs/dbraw/zinc/71/85/17/939718517.db2.gz XNTHCCRDDKRNQG-URXFXBBRSA-N 2 2 423.605 4.138 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542134083 939724471 /nfs/dbraw/zinc/72/44/71/939724471.db2.gz LXUOAKCWYIVDHN-MRXNPFEDSA-N 2 2 419.367 4.165 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cnccn3)cc2)C[C@H](C)O1 ZINC000542481840 939830889 /nfs/dbraw/zinc/83/08/89/939830889.db2.gz HMZJFLMBMYDBAX-CEYNDMKZSA-N 2 2 420.532 4.104 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cnccn3)cc2)C[C@H](C)O1 ZINC000542481840 939830891 /nfs/dbraw/zinc/83/08/91/939830891.db2.gz HMZJFLMBMYDBAX-CEYNDMKZSA-N 2 2 420.532 4.104 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)co2)cc1 ZINC000542969625 939888579 /nfs/dbraw/zinc/88/85/79/939888579.db2.gz XPOQAZLQSXBPBZ-INIZCTEOSA-N 2 2 416.481 4.473 20 0 HIADLP Brc1ccn2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)nc2c1 ZINC000563755737 945286070 /nfs/dbraw/zinc/28/60/70/945286070.db2.gz PGDLCFGCHNITMJ-UHFFFAOYSA-N 2 2 414.351 4.009 20 0 HIADLP CN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543332400 940033721 /nfs/dbraw/zinc/03/37/21/940033721.db2.gz HJGGJBDOZNISLX-XZOQPEGZSA-N 2 2 420.601 4.226 20 0 HIADLP CN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543332400 940033726 /nfs/dbraw/zinc/03/37/26/940033726.db2.gz HJGGJBDOZNISLX-XZOQPEGZSA-N 2 2 420.601 4.226 20 0 HIADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)c2cnc3ccccc3c2)CC1 ZINC000543423797 940060167 /nfs/dbraw/zinc/06/01/67/940060167.db2.gz ABZRUXGZMYIFQV-CYXNTTPDSA-N 2 2 419.544 4.431 20 0 HIADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458963 940068882 /nfs/dbraw/zinc/06/88/82/940068882.db2.gz LOEOBFHRKAYZFX-SOLBZPMBSA-N 2 2 411.546 4.205 20 0 HIADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458963 940068885 /nfs/dbraw/zinc/06/88/85/940068885.db2.gz LOEOBFHRKAYZFX-SOLBZPMBSA-N 2 2 411.546 4.205 20 0 HIADLP CCN1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543870646 940217901 /nfs/dbraw/zinc/21/79/01/940217901.db2.gz IWRIZGQBEGIZJE-RBBKRZOGSA-N 2 2 400.448 4.215 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000543972385 940278758 /nfs/dbraw/zinc/27/87/58/940278758.db2.gz UANXHVHIMZZNGY-OAQYLSRUSA-N 2 2 417.985 4.041 20 0 HIADLP C[C@@H]1CCN(C(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc2S1 ZINC000543991136 940286574 /nfs/dbraw/zinc/28/65/74/940286574.db2.gz KQFKMCUAQJEBGH-LJQANCHMSA-N 2 2 412.603 4.293 20 0 HIADLP Brc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000544007427 940296775 /nfs/dbraw/zinc/29/67/75/940296775.db2.gz PNVRFVBWBUFMOI-QFIPXVFZSA-N 2 2 415.375 4.449 20 0 HIADLP OC1CC[NH+](Cc2ccc(C[NH2+][C@H](c3cccnc3)c3ccc(F)cc3F)cc2)CC1 ZINC000544355726 940399152 /nfs/dbraw/zinc/39/91/52/940399152.db2.gz LDKJBIGNPZJXRN-RUZDIDTESA-N 2 2 423.507 4.196 20 0 HIADLP Clc1ccc(-n2cc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)nn2)cc1Cl ZINC000544370305 940404491 /nfs/dbraw/zinc/40/44/91/940404491.db2.gz GXAHJWUVYWIZHE-UHFFFAOYSA-N 2 2 416.356 4.460 20 0 HIADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000544504928 940458956 /nfs/dbraw/zinc/45/89/56/940458956.db2.gz JPVPIAGKNROFSM-FCHUYYIVSA-N 2 2 409.578 4.028 20 0 HIADLP Cc1cccn2cc(Cc3noc([C@@H]4CCC[N@H+](Cc5cccc(F)c5)C4)n3)[nH+]c12 ZINC000545677745 940580206 /nfs/dbraw/zinc/58/02/06/940580206.db2.gz DGQMNCLISHUVNF-GOSISDBHSA-N 2 2 405.477 4.135 20 0 HIADLP Cc1cccn2cc(Cc3noc([C@@H]4CCC[N@@H+](Cc5cccc(F)c5)C4)n3)[nH+]c12 ZINC000545677745 940580207 /nfs/dbraw/zinc/58/02/07/940580207.db2.gz DGQMNCLISHUVNF-GOSISDBHSA-N 2 2 405.477 4.135 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000545916851 940657642 /nfs/dbraw/zinc/65/76/42/940657642.db2.gz TYKCRIKHLYLSLH-HOTGVXAUSA-N 2 2 400.485 4.205 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000545916852 940657697 /nfs/dbraw/zinc/65/76/97/940657697.db2.gz TYKCRIKHLYLSLH-HZPDHXFCSA-N 2 2 400.485 4.205 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1 ZINC000546087448 940695521 /nfs/dbraw/zinc/69/55/21/940695521.db2.gz GGZNNLOWJPMZJG-IBGZPJMESA-N 2 2 424.570 4.107 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1 ZINC000546087448 940695523 /nfs/dbraw/zinc/69/55/23/940695523.db2.gz GGZNNLOWJPMZJG-IBGZPJMESA-N 2 2 424.570 4.107 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000547325475 941056349 /nfs/dbraw/zinc/05/63/49/941056349.db2.gz JEEJUCGVSHZFJF-OAHLLOKOSA-N 2 2 419.566 4.326 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000548931501 941130188 /nfs/dbraw/zinc/13/01/88/941130188.db2.gz OLLVHBFQWYPYFJ-HXUWFJFHSA-N 2 2 408.571 4.125 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc2ccccc2s1 ZINC000548931501 941130190 /nfs/dbraw/zinc/13/01/90/941130190.db2.gz OLLVHBFQWYPYFJ-HXUWFJFHSA-N 2 2 408.571 4.125 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000548931863 941130600 /nfs/dbraw/zinc/13/06/00/941130600.db2.gz FEFCJXQQCKUTMW-QFIPXVFZSA-N 2 2 409.599 4.016 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000548931863 941130602 /nfs/dbraw/zinc/13/06/02/941130602.db2.gz FEFCJXQQCKUTMW-QFIPXVFZSA-N 2 2 409.599 4.016 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c2ccccc21 ZINC000549627469 941201941 /nfs/dbraw/zinc/20/19/41/941201941.db2.gz SCWBQTGWUHCTLM-DQMJNTIXSA-N 2 2 407.558 4.378 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)cc1F ZINC000550105423 941285002 /nfs/dbraw/zinc/28/50/02/941285002.db2.gz DWMFKPFQDFZCGF-UHFFFAOYSA-N 2 2 414.912 4.100 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000550175434 941293475 /nfs/dbraw/zinc/29/34/75/941293475.db2.gz UJSSLVMAXPCVMY-OYRHEFFESA-N 2 2 416.569 4.339 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000550175434 941293479 /nfs/dbraw/zinc/29/34/79/941293479.db2.gz UJSSLVMAXPCVMY-OYRHEFFESA-N 2 2 416.569 4.339 20 0 HIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000550898047 941380350 /nfs/dbraw/zinc/38/03/50/941380350.db2.gz PQTWJFCVBAPRFY-VGOFRKELSA-N 2 2 407.583 4.188 20 0 HIADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000550898047 941380355 /nfs/dbraw/zinc/38/03/55/941380355.db2.gz PQTWJFCVBAPRFY-VGOFRKELSA-N 2 2 407.583 4.188 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000550897870 941380379 /nfs/dbraw/zinc/38/03/79/941380379.db2.gz JKJVNDZTVJGIFA-NTKDMRAZSA-N 2 2 409.549 4.132 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000551030042 941397450 /nfs/dbraw/zinc/39/74/50/941397450.db2.gz DYGLFRCTKAIKIZ-JTJYXVOQSA-N 3 2 410.581 4.064 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000551030042 941397453 /nfs/dbraw/zinc/39/74/53/941397453.db2.gz DYGLFRCTKAIKIZ-JTJYXVOQSA-N 3 2 410.581 4.064 20 0 HIADLP C[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000551030042 941397455 /nfs/dbraw/zinc/39/74/55/941397455.db2.gz DYGLFRCTKAIKIZ-JTJYXVOQSA-N 2 2 410.581 4.064 20 0 HIADLP CC(C)C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1ccccc1Cl ZINC000551813088 941550121 /nfs/dbraw/zinc/55/01/21/941550121.db2.gz QWLGHGKVNUHDCA-SFHVURJKSA-N 2 2 401.986 4.101 20 0 HIADLP CC(C)C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1ccccc1Cl ZINC000551813088 941550126 /nfs/dbraw/zinc/55/01/26/941550126.db2.gz QWLGHGKVNUHDCA-SFHVURJKSA-N 2 2 401.986 4.101 20 0 HIADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000552047299 941573182 /nfs/dbraw/zinc/57/31/82/941573182.db2.gz HFBQVOVPGOGQHT-QHCPKHFHSA-N 2 2 402.473 4.489 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc(OC)c1OCc1ccccc1 ZINC000552357666 941643193 /nfs/dbraw/zinc/64/31/93/941643193.db2.gz LXSNMCZPSRCWJK-VWLOTQADSA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc(OC)c1OCc1ccccc1 ZINC000552357666 941643204 /nfs/dbraw/zinc/64/32/04/941643204.db2.gz LXSNMCZPSRCWJK-VWLOTQADSA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc(OC)c1OCc1ccccc1 ZINC000552357666 941643211 /nfs/dbraw/zinc/64/32/11/941643211.db2.gz LXSNMCZPSRCWJK-VWLOTQADSA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc(OC)c1OCc1ccccc1 ZINC000552357666 941643217 /nfs/dbraw/zinc/64/32/17/941643217.db2.gz LXSNMCZPSRCWJK-VWLOTQADSA-N 2 2 410.558 4.201 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000553004145 941814404 /nfs/dbraw/zinc/81/44/04/941814404.db2.gz KVALWYDJQOINFH-HSQYWUDLSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000553004145 941814408 /nfs/dbraw/zinc/81/44/08/941814408.db2.gz KVALWYDJQOINFH-HSQYWUDLSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000553004146 941814482 /nfs/dbraw/zinc/81/44/82/941814482.db2.gz KVALWYDJQOINFH-MTNREXPMSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000553004146 941814483 /nfs/dbraw/zinc/81/44/83/941814483.db2.gz KVALWYDJQOINFH-MTNREXPMSA-N 2 2 421.029 4.380 20 0 HIADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553074384 941828854 /nfs/dbraw/zinc/82/88/54/941828854.db2.gz FOUDKDUYEPELHI-OAQYLSRUSA-N 2 2 420.582 4.428 20 0 HIADLP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000553834335 941980515 /nfs/dbraw/zinc/98/05/15/941980515.db2.gz WVXYQDLLJYWREN-QHCPKHFHSA-N 2 2 422.960 4.369 20 0 HIADLP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000553834335 941980518 /nfs/dbraw/zinc/98/05/18/941980518.db2.gz WVXYQDLLJYWREN-QHCPKHFHSA-N 2 2 422.960 4.369 20 0 HIADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1sccc1Br)CC2 ZINC000555132579 942397217 /nfs/dbraw/zinc/39/72/17/942397217.db2.gz LJCOADBEVNWNRX-HNNXBMFYSA-N 2 2 412.422 4.454 20 0 HIADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1sccc1Br)CC2 ZINC000555132579 942397222 /nfs/dbraw/zinc/39/72/22/942397222.db2.gz LJCOADBEVNWNRX-HNNXBMFYSA-N 2 2 412.422 4.454 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000555871191 942760500 /nfs/dbraw/zinc/76/05/00/942760500.db2.gz WCCKUDDXZYCMQT-BGYRXZFFSA-N 2 2 421.589 4.481 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000555871191 942760507 /nfs/dbraw/zinc/76/05/07/942760507.db2.gz WCCKUDDXZYCMQT-BGYRXZFFSA-N 2 2 421.589 4.481 20 0 HIADLP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)cs1 ZINC000556094365 942804440 /nfs/dbraw/zinc/80/44/40/942804440.db2.gz SKKIMXZIWZQUSS-JTHBVZDNSA-N 3 2 412.647 4.343 20 0 HIADLP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)cs1 ZINC000556094365 942804444 /nfs/dbraw/zinc/80/44/44/942804444.db2.gz SKKIMXZIWZQUSS-JTHBVZDNSA-N 3 2 412.647 4.343 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000557247383 943061253 /nfs/dbraw/zinc/06/12/53/943061253.db2.gz PJEVLXHLFFWMNJ-MGPUTAFESA-N 2 2 422.411 4.329 20 0 HIADLP COC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(Cl)c1F ZINC000557453411 943137037 /nfs/dbraw/zinc/13/70/37/943137037.db2.gz YXPBMSQKKBIMNX-LJQANCHMSA-N 2 2 406.933 4.204 20 0 HIADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000557584367 943220522 /nfs/dbraw/zinc/22/05/22/943220522.db2.gz JFSOFLOHXCXUGR-QFIPXVFZSA-N 2 2 420.582 4.162 20 0 HIADLP Cc1ccc2c(C[NH+]3CCC4(C[C@H]4[N@H+](C)Cc4nccs4)CC3)ccc(O)c2n1 ZINC000558897325 943732719 /nfs/dbraw/zinc/73/27/19/943732719.db2.gz QOAULQXCYSUUBS-HXUWFJFHSA-N 2 2 408.571 4.192 20 0 HIADLP Cc1ccc2c(C[NH+]3CCC4(C[C@H]4[N@@H+](C)Cc4nccs4)CC3)ccc(O)c2n1 ZINC000558897325 943732725 /nfs/dbraw/zinc/73/27/25/943732725.db2.gz QOAULQXCYSUUBS-HXUWFJFHSA-N 2 2 408.571 4.192 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000559878525 944072747 /nfs/dbraw/zinc/07/27/47/944072747.db2.gz PIGUNDXDZYGYJF-YZZKKUAISA-N 2 2 406.505 4.414 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NC3CCC([N@H+](C)Cc4ccccc4)CC3)[nH+]c2)CC1 ZINC000559922176 944085864 /nfs/dbraw/zinc/08/58/64/944085864.db2.gz PSOLYKKDZFVYHW-UHFFFAOYSA-N 3 2 421.633 4.467 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NC3CCC([N@@H+](C)Cc4ccccc4)CC3)[nH+]c2)CC1 ZINC000559922176 944085874 /nfs/dbraw/zinc/08/58/74/944085874.db2.gz PSOLYKKDZFVYHW-UHFFFAOYSA-N 3 2 421.633 4.467 20 0 HIADLP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000560648970 944284719 /nfs/dbraw/zinc/28/47/19/944284719.db2.gz VARXEKXTKXJFSE-FQEVSTJZSA-N 2 2 412.622 4.288 20 0 HIADLP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000560648970 944284727 /nfs/dbraw/zinc/28/47/27/944284727.db2.gz VARXEKXTKXJFSE-FQEVSTJZSA-N 2 2 412.622 4.288 20 0 HIADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000564074736 945372199 /nfs/dbraw/zinc/37/21/99/945372199.db2.gz PYUOVLSAEWQIAZ-HNNXBMFYSA-N 2 2 406.452 4.076 20 0 HIADLP CC[NH+](CC)CCCNC(=O)c1ccc(NCc2cccc3[nH+]ccn32)cc1Cl ZINC000566517284 946026350 /nfs/dbraw/zinc/02/63/50/946026350.db2.gz DPDLYYWHMIUOSW-UHFFFAOYSA-N 2 2 413.953 4.062 20 0 HIADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566843709 946126601 /nfs/dbraw/zinc/12/66/01/946126601.db2.gz QOJGDEDIBPAOHV-FGZHOGPDSA-N 2 2 415.940 4.250 20 0 HIADLP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566843709 946126612 /nfs/dbraw/zinc/12/66/12/946126612.db2.gz QOJGDEDIBPAOHV-FGZHOGPDSA-N 2 2 415.940 4.250 20 0 HIADLP Cc1ccccc1C(NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1C ZINC000567551625 946374936 /nfs/dbraw/zinc/37/49/36/946374936.db2.gz YPUZVDZWYQROTC-UHFFFAOYSA-N 2 2 422.617 4.060 20 0 HIADLP Cc1ccccc1C(NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1C ZINC000567551625 946374944 /nfs/dbraw/zinc/37/49/44/946374944.db2.gz YPUZVDZWYQROTC-UHFFFAOYSA-N 2 2 422.617 4.060 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000567973916 946436165 /nfs/dbraw/zinc/43/61/65/946436165.db2.gz CHVQPPVLLYFQKC-AZUAARDMSA-N 2 2 408.496 4.309 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000567973916 946436171 /nfs/dbraw/zinc/43/61/71/946436171.db2.gz CHVQPPVLLYFQKC-AZUAARDMSA-N 2 2 408.496 4.309 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000567973916 946436177 /nfs/dbraw/zinc/43/61/77/946436177.db2.gz CHVQPPVLLYFQKC-AZUAARDMSA-N 2 2 408.496 4.309 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000567973916 946436182 /nfs/dbraw/zinc/43/61/82/946436182.db2.gz CHVQPPVLLYFQKC-AZUAARDMSA-N 2 2 408.496 4.309 20 0 HIADLP c1ccc(C[N@H+]2CC[C@H](Sc3nnc(C[NH+]4CCCC4)n3-c3ccccc3)C2)cc1 ZINC000568972808 946786223 /nfs/dbraw/zinc/78/62/23/946786223.db2.gz YQUFOJGUGCAMDY-QFIPXVFZSA-N 2 2 419.598 4.230 20 0 HIADLP c1ccc(C[N@@H+]2CC[C@H](Sc3nnc(C[NH+]4CCCC4)n3-c3ccccc3)C2)cc1 ZINC000568972808 946786240 /nfs/dbraw/zinc/78/62/40/946786240.db2.gz YQUFOJGUGCAMDY-QFIPXVFZSA-N 2 2 419.598 4.230 20 0 HIADLP Brc1ccc2c(c1)C=C(C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)CO2 ZINC000569211414 946838405 /nfs/dbraw/zinc/83/84/05/946838405.db2.gz NTEHWMJQQPEWNB-UHFFFAOYSA-N 2 2 410.315 4.260 20 0 HIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(-c2ccc(F)cc2)s1 ZINC000570747076 947344346 /nfs/dbraw/zinc/34/43/46/947344346.db2.gz GDPWJXWEJUCDNY-MIJOPJBOSA-N 2 2 415.578 4.288 20 0 HIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(-c2ccc(F)cc2)s1 ZINC000570747076 947344359 /nfs/dbraw/zinc/34/43/59/947344359.db2.gz GDPWJXWEJUCDNY-MIJOPJBOSA-N 2 2 415.578 4.288 20 0 HIADLP C[NH+](C)Cc1cc(-c2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)ccc1F ZINC000571125212 947518396 /nfs/dbraw/zinc/51/83/96/947518396.db2.gz UPAAVMNSLPJHQH-UHFFFAOYSA-N 2 2 414.391 4.123 20 0 HIADLP C[C@H](C[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccccc1 ZINC000572063877 947837021 /nfs/dbraw/zinc/83/70/21/947837021.db2.gz USFZPAGBLJCOCT-GOSISDBHSA-N 2 2 400.592 4.049 20 0 HIADLP C[C@H](C[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccccc1 ZINC000572063877 947837024 /nfs/dbraw/zinc/83/70/24/947837024.db2.gz USFZPAGBLJCOCT-GOSISDBHSA-N 2 2 400.592 4.049 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)CCC2 ZINC000572609393 947955325 /nfs/dbraw/zinc/95/53/25/947955325.db2.gz OCVKGNGBOZIBCD-ZDUSSCGKSA-N 2 2 413.157 4.384 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000573110367 948080623 /nfs/dbraw/zinc/08/06/23/948080623.db2.gz VIHNPJYYHJDIKG-TZIWHRDSSA-N 2 2 413.993 4.319 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000573110367 948080628 /nfs/dbraw/zinc/08/06/28/948080628.db2.gz VIHNPJYYHJDIKG-TZIWHRDSSA-N 2 2 413.993 4.319 20 0 HIADLP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000574553053 948470210 /nfs/dbraw/zinc/47/02/10/948470210.db2.gz YMMBLWDNPPVBSL-VWLOTQADSA-N 3 2 401.639 4.112 20 0 HIADLP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000574553053 948470213 /nfs/dbraw/zinc/47/02/13/948470213.db2.gz YMMBLWDNPPVBSL-VWLOTQADSA-N 3 2 401.639 4.112 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000575030658 948578968 /nfs/dbraw/zinc/57/89/68/948578968.db2.gz PBXOKUWKEPZRLW-CQSZACIVSA-N 2 2 410.319 4.442 20 0 HIADLP c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc(C4CC4)cc[nH+]2)C3)c1 ZINC001164757784 720894549 /nfs/dbraw/zinc/89/45/49/720894549.db2.gz VPJRCLLKZHWDGB-AHWVRZQESA-N 2 2 418.585 4.109 20 0 HIADLP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(C4CC4)cc[nH+]2)C3)c1 ZINC001164757784 720894550 /nfs/dbraw/zinc/89/45/50/720894550.db2.gz VPJRCLLKZHWDGB-AHWVRZQESA-N 2 2 418.585 4.109 20 0 HIADLP c1cn(Cc2cccc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccncc3)c2)c[nH+]1 ZINC000030901973 847795703 /nfs/dbraw/zinc/79/57/03/847795703.db2.gz BAYRAOLOJVTHKO-UHFFFAOYSA-N 2 2 420.520 4.469 20 0 HIADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517559 848434420 /nfs/dbraw/zinc/43/44/20/848434420.db2.gz XCHXFYKKXROJPQ-FQEVSTJZSA-N 2 2 413.591 4.088 20 0 HIADLP CC(C)c1ccc(CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C2CC2)cc1 ZINC000051759311 849513457 /nfs/dbraw/zinc/51/34/57/849513457.db2.gz KSWSAKSIAJGPMB-UHFFFAOYSA-N 2 2 412.622 4.043 20 0 HIADLP COc1cc(-c2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cs2)ccc1O ZINC000436927559 862107933 /nfs/dbraw/zinc/10/79/33/862107933.db2.gz SEYLGWCTIZYNLU-UHFFFAOYSA-N 2 2 424.570 4.437 20 0 HIADLP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000437017906 862197890 /nfs/dbraw/zinc/19/78/90/862197890.db2.gz QUDMPDLANNDOBX-RPBOFIJWSA-N 2 2 419.573 4.062 20 0 HIADLP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000437017906 862197900 /nfs/dbraw/zinc/19/79/00/862197900.db2.gz QUDMPDLANNDOBX-RPBOFIJWSA-N 2 2 419.573 4.062 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1C ZINC000060535108 851137681 /nfs/dbraw/zinc/13/76/81/851137681.db2.gz PDRQDWMWDGHARQ-UHFFFAOYSA-N 2 2 410.562 4.035 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000060545144 851141302 /nfs/dbraw/zinc/14/13/02/851141302.db2.gz LJKOZFRMAODVMF-GOSISDBHSA-N 2 2 424.589 4.281 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1C ZINC000060545144 851141305 /nfs/dbraw/zinc/14/13/05/851141305.db2.gz LJKOZFRMAODVMF-GOSISDBHSA-N 2 2 424.589 4.281 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064348974 851876999 /nfs/dbraw/zinc/87/69/99/851876999.db2.gz LJAWDPKXJPWHRQ-LJQANCHMSA-N 2 2 421.541 4.287 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1cc2ccccc2o1 ZINC000064348974 851877002 /nfs/dbraw/zinc/87/70/02/851877002.db2.gz LJAWDPKXJPWHRQ-LJQANCHMSA-N 2 2 421.541 4.287 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000116792673 853333429 /nfs/dbraw/zinc/33/34/29/853333429.db2.gz GFZCPKYGOABQPV-UHFFFAOYSA-N 2 2 403.929 4.262 20 0 HIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000116792673 853333440 /nfs/dbraw/zinc/33/34/40/853333440.db2.gz GFZCPKYGOABQPV-UHFFFAOYSA-N 2 2 403.929 4.262 20 0 HIADLP COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)c2)cc1 ZINC000140465073 853446609 /nfs/dbraw/zinc/44/66/09/853446609.db2.gz NZDMEQIXPJHEHF-UHFFFAOYSA-N 2 2 412.493 4.423 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000215979850 853841410 /nfs/dbraw/zinc/84/14/10/853841410.db2.gz FZTFXZNZRWELRJ-UHFFFAOYSA-N 2 2 408.546 4.159 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3c3cccc4ccccc43)CC2)CC1 ZINC000215999911 853841486 /nfs/dbraw/zinc/84/14/86/853841486.db2.gz AUGIKTHFLIHQHQ-VWLOTQADSA-N 2 2 420.601 4.245 20 0 HIADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236649207 853906873 /nfs/dbraw/zinc/90/68/73/853906873.db2.gz UBWVBNPZCQNLIM-IBGZPJMESA-N 2 2 421.566 4.193 20 0 HIADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236649207 853906876 /nfs/dbraw/zinc/90/68/76/853906876.db2.gz UBWVBNPZCQNLIM-IBGZPJMESA-N 2 2 421.566 4.193 20 0 HIADLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc(OCCOc4ccccc4)nc3)CC2)cc1 ZINC000236737821 853917275 /nfs/dbraw/zinc/91/72/75/853917275.db2.gz HORVYFLYTAYRHS-UHFFFAOYSA-N 2 2 417.553 4.294 20 0 HIADLP CC(=O)N(c1nc(C[NH2+]CCCCNc2cccc[nH+]2)cs1)c1ccc(F)cc1 ZINC000236786702 853923816 /nfs/dbraw/zinc/92/38/16/853923816.db2.gz NHSRJISVDRLYCC-UHFFFAOYSA-N 2 2 413.522 4.344 20 0 HIADLP C[NH+](C)Cc1cc(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)ccc1F ZINC000237065276 853958885 /nfs/dbraw/zinc/95/88/85/853958885.db2.gz BHNJMPAOFSOHCW-UHFFFAOYSA-N 2 2 417.326 4.330 20 0 HIADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1OCc1cccnc1 ZINC000237250402 853991300 /nfs/dbraw/zinc/99/13/00/853991300.db2.gz MAHKZOKTBHNRTN-UHFFFAOYSA-N 2 2 400.482 4.145 20 0 HIADLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000237370259 854016387 /nfs/dbraw/zinc/01/63/87/854016387.db2.gz HBKLTURVKKMKOQ-QFBILLFUSA-N 2 2 423.479 4.032 20 0 HIADLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000237370259 854016395 /nfs/dbraw/zinc/01/63/95/854016395.db2.gz HBKLTURVKKMKOQ-QFBILLFUSA-N 2 2 423.479 4.032 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237485627 854043357 /nfs/dbraw/zinc/04/33/57/854043357.db2.gz ZOXNRTAMBLNJIU-CQSZACIVSA-N 2 2 413.509 4.477 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000237565518 854055442 /nfs/dbraw/zinc/05/54/42/854055442.db2.gz GDNDLNXMJAGKPB-UHFFFAOYSA-N 2 2 413.319 4.062 20 0 HIADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2)n1 ZINC000237754394 854089144 /nfs/dbraw/zinc/08/91/44/854089144.db2.gz WXUBNAMNJBCANE-UHFFFAOYSA-N 2 2 401.436 4.045 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Br)cc1Br ZINC000251572085 854199308 /nfs/dbraw/zinc/19/93/08/854199308.db2.gz UVFHRLLVSBCTCF-UBHSHLNASA-N 2 2 402.174 4.489 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1Br ZINC000251572085 854199314 /nfs/dbraw/zinc/19/93/14/854199314.db2.gz UVFHRLLVSBCTCF-UBHSHLNASA-N 2 2 402.174 4.489 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000303126263 854773891 /nfs/dbraw/zinc/77/38/91/854773891.db2.gz BBJYHCCCOYMHQC-HHJKRLRDSA-N 2 2 423.576 4.413 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000303126263 854773895 /nfs/dbraw/zinc/77/38/95/854773895.db2.gz BBJYHCCCOYMHQC-HHJKRLRDSA-N 2 2 423.576 4.413 20 0 HIADLP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379654761 855425596 /nfs/dbraw/zinc/42/55/96/855425596.db2.gz JMVVKDCKZIEQJL-QFBILLFUSA-N 2 2 416.363 4.030 20 0 HIADLP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)CC[N@H+]1Cc1ccccc1 ZINC000379654761 855425604 /nfs/dbraw/zinc/42/56/04/855425604.db2.gz JMVVKDCKZIEQJL-QFBILLFUSA-N 2 2 416.363 4.030 20 0 HIADLP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000390890110 855459034 /nfs/dbraw/zinc/45/90/34/855459034.db2.gz XYFQLGDCUSZEAG-FQEVSTJZSA-N 2 2 403.364 4.138 20 0 HIADLP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000390890110 855459039 /nfs/dbraw/zinc/45/90/39/855459039.db2.gz XYFQLGDCUSZEAG-FQEVSTJZSA-N 2 2 403.364 4.138 20 0 HIADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426138507 856133307 /nfs/dbraw/zinc/13/33/07/856133307.db2.gz IIETXGRNGZKMLU-UHFFFAOYSA-N 2 2 419.529 4.059 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccco1 ZINC000426316111 856241234 /nfs/dbraw/zinc/24/12/34/856241234.db2.gz BECVTXPHOBGMTG-XJUOHMSHSA-N 2 2 421.545 4.087 20 0 HIADLP Cc1nc2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2s1 ZINC000426402494 856275945 /nfs/dbraw/zinc/27/59/45/856275945.db2.gz CLBUWMHNTIPJTL-NRFANRHFSA-N 2 2 421.614 4.034 20 0 HIADLP Cc1nc2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2s1 ZINC000426402494 856275953 /nfs/dbraw/zinc/27/59/53/856275953.db2.gz CLBUWMHNTIPJTL-NRFANRHFSA-N 2 2 421.614 4.034 20 0 HIADLP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000427563026 856866955 /nfs/dbraw/zinc/86/69/55/856866955.db2.gz KHBZZPYLLMBTFI-HXUWFJFHSA-N 2 2 405.464 4.100 20 0 HIADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ncc(Br)cc1F ZINC000427606321 856886189 /nfs/dbraw/zinc/88/61/89/856886189.db2.gz JNIVXFHEKGXXRE-AWEZNQCLSA-N 2 2 403.299 4.121 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCCc4ncc(C(F)(F)F)cc43)[nH+]c2)C1 ZINC000427859538 856985043 /nfs/dbraw/zinc/98/50/43/856985043.db2.gz OKLSBQFQBDJWTM-LPHOPBHVSA-N 2 2 405.468 4.125 20 0 HIADLP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCN(c5cccc[nH+]5)CC4)[C@H]3C2)cc1 ZINC000428243432 857123786 /nfs/dbraw/zinc/12/37/86/857123786.db2.gz BTXPUQPNLDRGHG-HVCNVCAESA-N 3 2 404.602 4.331 20 0 HIADLP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]C4CCN(c5cccc[nH+]5)CC4)[C@H]3C2)cc1 ZINC000428243432 857123788 /nfs/dbraw/zinc/12/37/88/857123788.db2.gz BTXPUQPNLDRGHG-HVCNVCAESA-N 3 2 404.602 4.331 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000428260259 857131020 /nfs/dbraw/zinc/13/10/20/857131020.db2.gz MMGKXIZGQDTESQ-SIKLNZKXSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000428260259 857131025 /nfs/dbraw/zinc/13/10/25/857131025.db2.gz MMGKXIZGQDTESQ-SIKLNZKXSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2)cc1 ZINC000428260259 857131031 /nfs/dbraw/zinc/13/10/31/857131031.db2.gz MMGKXIZGQDTESQ-SIKLNZKXSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000428260259 857131034 /nfs/dbraw/zinc/13/10/34/857131034.db2.gz MMGKXIZGQDTESQ-SIKLNZKXSA-N 2 2 418.507 4.399 20 0 HIADLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(-c2ccccc2Cl)n1 ZINC000428532364 857246586 /nfs/dbraw/zinc/24/65/86/857246586.db2.gz AZXMQCKKKVKUMN-OAQYLSRUSA-N 2 2 424.976 4.121 20 0 HIADLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(-c2ccccc2Cl)n1 ZINC000428532364 857246592 /nfs/dbraw/zinc/24/65/92/857246592.db2.gz AZXMQCKKKVKUMN-OAQYLSRUSA-N 2 2 424.976 4.121 20 0 HIADLP CCC(CC)(CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000428570622 857269050 /nfs/dbraw/zinc/26/90/50/857269050.db2.gz IWGPUYKKRRQHAL-IBGZPJMESA-N 2 2 411.594 4.270 20 0 HIADLP C[C@@H]([NH2+]C1(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CCCC1)c1ccccc1 ZINC000428576496 857270035 /nfs/dbraw/zinc/27/00/35/857270035.db2.gz UHEWIINHNNVUMJ-LJQANCHMSA-N 2 2 409.578 4.024 20 0 HIADLP CC(C)C[C@@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000428777468 857332646 /nfs/dbraw/zinc/33/26/46/857332646.db2.gz IMVQBEYSXKMGIF-CTNGQTDRSA-N 2 2 411.594 4.126 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429402066 857645186 /nfs/dbraw/zinc/64/51/86/857645186.db2.gz BOJGSYPOTYLZDS-HYBUGGRVSA-N 2 2 424.589 4.158 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429402066 857645190 /nfs/dbraw/zinc/64/51/90/857645190.db2.gz BOJGSYPOTYLZDS-HYBUGGRVSA-N 2 2 424.589 4.158 20 0 HIADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000429428485 857662133 /nfs/dbraw/zinc/66/21/33/857662133.db2.gz PDAWYOGCHIEYLD-REWPJTCUSA-N 2 2 409.530 4.111 20 0 HIADLP CC(C)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000429428485 857662140 /nfs/dbraw/zinc/66/21/40/857662140.db2.gz PDAWYOGCHIEYLD-REWPJTCUSA-N 2 2 409.530 4.111 20 0 HIADLP CC(C)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000429428481 857662294 /nfs/dbraw/zinc/66/22/94/857662294.db2.gz PDAWYOGCHIEYLD-NZQKXSOJSA-N 2 2 409.530 4.111 20 0 HIADLP CC(C)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000429428481 857662315 /nfs/dbraw/zinc/66/23/15/857662315.db2.gz PDAWYOGCHIEYLD-NZQKXSOJSA-N 2 2 409.530 4.111 20 0 HIADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000429428483 857662540 /nfs/dbraw/zinc/66/25/40/857662540.db2.gz PDAWYOGCHIEYLD-OFNKIYASSA-N 2 2 409.530 4.111 20 0 HIADLP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2[nH]c(=O)oc2c1 ZINC000429428483 857662546 /nfs/dbraw/zinc/66/25/46/857662546.db2.gz PDAWYOGCHIEYLD-OFNKIYASSA-N 2 2 409.530 4.111 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429456074 857679734 /nfs/dbraw/zinc/67/97/34/857679734.db2.gz RVUVVWMYGBVQFY-XMSQKQJNSA-N 2 2 422.598 4.455 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429456074 857679738 /nfs/dbraw/zinc/67/97/38/857679738.db2.gz RVUVVWMYGBVQFY-XMSQKQJNSA-N 2 2 422.598 4.455 20 0 HIADLP COc1ccccc1-c1ncc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000430072593 858020407 /nfs/dbraw/zinc/02/04/07/858020407.db2.gz SRAWBAHJXUQYKV-SANMLTNESA-N 2 2 414.553 4.250 20 0 HIADLP COc1ccccc1-c1ncc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000430072593 858020419 /nfs/dbraw/zinc/02/04/19/858020419.db2.gz SRAWBAHJXUQYKV-SANMLTNESA-N 2 2 414.553 4.250 20 0 HIADLP COc1ccccc1-c1ncc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000430072593 858020436 /nfs/dbraw/zinc/02/04/36/858020436.db2.gz SRAWBAHJXUQYKV-SANMLTNESA-N 2 2 414.553 4.250 20 0 HIADLP COc1ccccc1-c1ncc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000430072593 858020448 /nfs/dbraw/zinc/02/04/48/858020448.db2.gz SRAWBAHJXUQYKV-SANMLTNESA-N 2 2 414.553 4.250 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000431718512 858759825 /nfs/dbraw/zinc/75/98/25/858759825.db2.gz DJLRPZPBXBPYHZ-NRFANRHFSA-N 2 2 416.569 4.022 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000431718512 858759834 /nfs/dbraw/zinc/75/98/34/858759834.db2.gz DJLRPZPBXBPYHZ-NRFANRHFSA-N 2 2 416.569 4.022 20 0 HIADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433996895 860027288 /nfs/dbraw/zinc/02/72/88/860027288.db2.gz JWWPYAKQNONPHQ-UHFFFAOYSA-N 2 2 423.605 4.149 20 0 HIADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433996895 860027296 /nfs/dbraw/zinc/02/72/96/860027296.db2.gz JWWPYAKQNONPHQ-UHFFFAOYSA-N 2 2 423.605 4.149 20 0 HIADLP CC(C)C[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000434309995 860271379 /nfs/dbraw/zinc/27/13/79/860271379.db2.gz WDMLIINIDMRGPP-UNWVZKJWSA-N 2 2 410.562 4.010 20 0 HIADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434685284 860459776 /nfs/dbraw/zinc/45/97/76/860459776.db2.gz NILGVDYQSUKOIH-OALUTQOASA-N 2 2 408.590 4.227 20 0 HIADLP CCN(C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000434687074 860460644 /nfs/dbraw/zinc/46/06/44/860460644.db2.gz WCMOYUCWENSROD-SFHVURJKSA-N 2 2 412.553 4.148 20 0 HIADLP Cn1c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nnc1-c1ccc(Cl)cc1 ZINC000434686294 860460668 /nfs/dbraw/zinc/46/06/68/860460668.db2.gz SKIQQCCSKHUDDQ-UHFFFAOYSA-N 2 2 410.953 4.048 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(Cl)cc1 ZINC000434751234 860482277 /nfs/dbraw/zinc/48/22/77/860482277.db2.gz CUUHZBQCOCDYFC-SJORKVTESA-N 2 2 414.981 4.318 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1c(F)cccc1Oc1ccccc1 ZINC000438017543 863376442 /nfs/dbraw/zinc/37/64/42/863376442.db2.gz KVYIKSXGJYYBNC-UHFFFAOYSA-N 2 2 414.525 4.108 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1c(F)cccc1Oc1ccccc1 ZINC000438017543 863376459 /nfs/dbraw/zinc/37/64/59/863376459.db2.gz KVYIKSXGJYYBNC-UHFFFAOYSA-N 2 2 414.525 4.108 20 0 HIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000439597802 864920572 /nfs/dbraw/zinc/92/05/72/864920572.db2.gz PJOPCFZGGKNVTJ-DEOSSOPVSA-N 2 2 421.516 4.160 20 0 HIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000439597802 864920579 /nfs/dbraw/zinc/92/05/79/864920579.db2.gz PJOPCFZGGKNVTJ-DEOSSOPVSA-N 2 2 421.516 4.160 20 0 HIADLP CCC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000468021516 881857047 /nfs/dbraw/zinc/85/70/47/881857047.db2.gz UPEPNACQMMFVQM-NRFANRHFSA-N 2 2 422.564 4.056 20 0 HIADLP C[C@@H](OC[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000440455187 865758834 /nfs/dbraw/zinc/75/88/34/865758834.db2.gz WDNBIHBHZWBBMP-DVECYGJZSA-N 2 2 416.993 4.375 20 0 HIADLP C[C@@H](OC[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000440455187 865758841 /nfs/dbraw/zinc/75/88/41/865758841.db2.gz WDNBIHBHZWBBMP-DVECYGJZSA-N 2 2 416.993 4.375 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000440787638 865912689 /nfs/dbraw/zinc/91/26/89/865912689.db2.gz WMLIGHWQTFSXFG-YADARESESA-N 2 2 400.526 4.230 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C[C@H]1n1cc[nH+]c1 ZINC000440787638 865912712 /nfs/dbraw/zinc/91/27/12/865912712.db2.gz WMLIGHWQTFSXFG-YADARESESA-N 2 2 400.526 4.230 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441361213 866431288 /nfs/dbraw/zinc/43/12/88/866431288.db2.gz FRJBDPUXVMZUBM-DENIHFKCSA-N 2 2 406.530 4.257 20 0 HIADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441374235 866442387 /nfs/dbraw/zinc/44/23/87/866442387.db2.gz DVBKZVOTFHOMSQ-URXFXBBRSA-N 2 2 404.558 4.268 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000441390648 866462541 /nfs/dbraw/zinc/46/25/41/866462541.db2.gz YAOBHMIVGXAPND-HKAZHODTSA-N 2 2 420.601 4.304 20 0 HIADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417206 866492483 /nfs/dbraw/zinc/49/24/83/866492483.db2.gz FZFXIFXZYZTQPJ-AUSJPIAWSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417206 866492496 /nfs/dbraw/zinc/49/24/96/866492496.db2.gz FZFXIFXZYZTQPJ-AUSJPIAWSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417206 866492502 /nfs/dbraw/zinc/49/25/02/866492502.db2.gz FZFXIFXZYZTQPJ-AUSJPIAWSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417206 866492510 /nfs/dbraw/zinc/49/25/10/866492510.db2.gz FZFXIFXZYZTQPJ-AUSJPIAWSA-N 2 2 410.389 4.119 20 0 HIADLP CC[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000443601977 868161842 /nfs/dbraw/zinc/16/18/42/868161842.db2.gz GUNFUBZZBXQAJY-UHFFFAOYSA-N 2 2 411.500 4.284 20 0 HIADLP CC[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000443601977 868161852 /nfs/dbraw/zinc/16/18/52/868161852.db2.gz GUNFUBZZBXQAJY-UHFFFAOYSA-N 2 2 411.500 4.284 20 0 HIADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(OCc2cccnc2)c1 ZINC000443986197 868510922 /nfs/dbraw/zinc/51/09/22/868510922.db2.gz VPQHESNXKFQOCB-UHFFFAOYSA-N 2 2 417.553 4.207 20 0 HIADLP COc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(OCc2cccnc2)c1 ZINC000443986197 868510931 /nfs/dbraw/zinc/51/09/31/868510931.db2.gz VPQHESNXKFQOCB-UHFFFAOYSA-N 2 2 417.553 4.207 20 0 HIADLP Cc1oc(-c2ccccc2)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C ZINC000444104683 868619669 /nfs/dbraw/zinc/61/96/69/868619669.db2.gz YLHJNZMZGZASMQ-UHFFFAOYSA-N 2 2 409.574 4.244 20 0 HIADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3nc(C4CCCCC4)cs3)CC2)C[C@@H](C)O1 ZINC000444688173 868958906 /nfs/dbraw/zinc/95/89/06/868958906.db2.gz IPGDTAREYAUUAH-RTBURBONSA-N 2 2 421.651 4.281 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000444791348 869009310 /nfs/dbraw/zinc/00/93/10/869009310.db2.gz BAIKZTLOYWRPQJ-SOUVJXGZSA-N 2 2 409.361 4.172 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000444791348 869009324 /nfs/dbraw/zinc/00/93/24/869009324.db2.gz BAIKZTLOYWRPQJ-SOUVJXGZSA-N 2 2 409.361 4.172 20 0 HIADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444806493 869018794 /nfs/dbraw/zinc/01/87/94/869018794.db2.gz ULKROHKNBIPTTR-HIFRSBDPSA-N 2 2 405.424 4.430 20 0 HIADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444806493 869018804 /nfs/dbraw/zinc/01/88/04/869018804.db2.gz ULKROHKNBIPTTR-HIFRSBDPSA-N 2 2 405.424 4.430 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000444807270 869021903 /nfs/dbraw/zinc/02/19/03/869021903.db2.gz WIXBHAMFIMULAA-HNNXBMFYSA-N 2 2 401.308 4.217 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000444807270 869021917 /nfs/dbraw/zinc/02/19/17/869021917.db2.gz WIXBHAMFIMULAA-HNNXBMFYSA-N 2 2 401.308 4.217 20 0 HIADLP CCC(CC)(CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000444988508 869145702 /nfs/dbraw/zinc/14/57/02/869145702.db2.gz PVINILCSHNOYFX-CTNGQTDRSA-N 2 2 411.594 4.219 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2C)cc1 ZINC000468395861 882338247 /nfs/dbraw/zinc/33/82/47/882338247.db2.gz RYKOJKNIAJZFHV-SQJMNOBHSA-N 2 2 408.590 4.006 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2C)cc1 ZINC000468395861 882338263 /nfs/dbraw/zinc/33/82/63/882338263.db2.gz RYKOJKNIAJZFHV-SQJMNOBHSA-N 2 2 408.590 4.006 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2C)cc1 ZINC000468395861 882338279 /nfs/dbraw/zinc/33/82/79/882338279.db2.gz RYKOJKNIAJZFHV-SQJMNOBHSA-N 2 2 408.590 4.006 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2C)cc1 ZINC000468395861 882338295 /nfs/dbraw/zinc/33/82/95/882338295.db2.gz RYKOJKNIAJZFHV-SQJMNOBHSA-N 2 2 408.590 4.006 20 0 HIADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)CCC2 ZINC000447578102 871477710 /nfs/dbraw/zinc/47/77/10/871477710.db2.gz CWHRAWDNTBQJAL-PXNSSMCTSA-N 2 2 411.546 4.352 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H](Cc3ccccc3)c3ccccc3)CC2)CC1 ZINC000460946173 873844941 /nfs/dbraw/zinc/84/49/41/873844941.db2.gz NHOOFDWKMFFIDD-DEOSSOPVSA-N 2 2 419.613 4.078 20 0 HIADLP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)[nH+]1 ZINC000461394929 874402273 /nfs/dbraw/zinc/40/22/73/874402273.db2.gz RBBNZLPBAKKNEY-INIZCTEOSA-N 2 2 409.559 4.314 20 0 HIADLP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)[nH+]1 ZINC000461394929 874402287 /nfs/dbraw/zinc/40/22/87/874402287.db2.gz RBBNZLPBAKKNEY-INIZCTEOSA-N 2 2 409.559 4.314 20 0 HIADLP FC(F)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000461394531 874402699 /nfs/dbraw/zinc/40/26/99/874402699.db2.gz LLLNGIDASWOYAZ-HXUWFJFHSA-N 2 2 400.517 4.053 20 0 HIADLP FC(F)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000461394531 874402721 /nfs/dbraw/zinc/40/27/21/874402721.db2.gz LLLNGIDASWOYAZ-HXUWFJFHSA-N 2 2 400.517 4.053 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+](Cc3ccccc3)C1)C2 ZINC000461473263 874528805 /nfs/dbraw/zinc/52/88/05/874528805.db2.gz RJWLYRUVHDGXNF-NHCUHLMSSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000461473263 874528818 /nfs/dbraw/zinc/52/88/18/874528818.db2.gz RJWLYRUVHDGXNF-NHCUHLMSSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000461473263 874528831 /nfs/dbraw/zinc/52/88/31/874528831.db2.gz RJWLYRUVHDGXNF-NHCUHLMSSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000461473263 874528839 /nfs/dbraw/zinc/52/88/39/874528839.db2.gz RJWLYRUVHDGXNF-NHCUHLMSSA-N 2 2 408.590 4.057 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(Br)cc1OCCCO ZINC000462950012 875968396 /nfs/dbraw/zinc/96/83/96/875968396.db2.gz BVPYBGLLCAQRPB-OAHLLOKOSA-N 2 2 413.400 4.124 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463203655 876264850 /nfs/dbraw/zinc/26/48/50/876264850.db2.gz GSAWFHRPAKSCIQ-DHIUTWEWSA-N 3 2 405.630 4.440 20 0 HIADLP COc1cc(Br)ccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463279921 876336719 /nfs/dbraw/zinc/33/67/19/876336719.db2.gz GZMJVCUJSQOQTA-UHFFFAOYSA-N 2 2 403.364 4.254 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccsc1 ZINC000463686829 876807982 /nfs/dbraw/zinc/80/79/82/876807982.db2.gz PEGZNDFZOGTBKH-HXUWFJFHSA-N 2 2 409.559 4.372 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cccc(F)c1 ZINC000463699927 876819091 /nfs/dbraw/zinc/81/90/91/876819091.db2.gz RVUXSHNEWYUVIR-JOCHJYFZSA-N 2 2 421.520 4.450 20 0 HIADLP CC[N@@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807006 878055374 /nfs/dbraw/zinc/05/53/74/878055374.db2.gz SKWXHTNVZCKRNG-AREMUKBSSA-N 2 2 420.601 4.196 20 0 HIADLP CC[N@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807006 878055382 /nfs/dbraw/zinc/05/53/82/878055382.db2.gz SKWXHTNVZCKRNG-AREMUKBSSA-N 2 2 420.601 4.196 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503370673 912349453 /nfs/dbraw/zinc/34/94/53/912349453.db2.gz AIODXGQJNDKKHG-REWPJTCUSA-N 2 2 420.601 4.226 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503370673 912349465 /nfs/dbraw/zinc/34/94/65/912349465.db2.gz AIODXGQJNDKKHG-REWPJTCUSA-N 2 2 420.601 4.226 20 0 HIADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1cccc(C(F)(F)F)c1 ZINC000503402575 912382125 /nfs/dbraw/zinc/38/21/25/912382125.db2.gz AWILSZYWGHCYLG-MRXNPFEDSA-N 2 2 420.479 4.446 20 0 HIADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1cccc(C(F)(F)F)c1 ZINC000503402575 912382148 /nfs/dbraw/zinc/38/21/48/912382148.db2.gz AWILSZYWGHCYLG-MRXNPFEDSA-N 2 2 420.479 4.446 20 0 HIADLP CCc1ccc([C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C(C)C)cc1 ZINC000465628126 879137413 /nfs/dbraw/zinc/13/74/13/879137413.db2.gz IDPUSUCVLIPIJO-QHCPKHFHSA-N 2 2 414.638 4.196 20 0 HIADLP CCCCN(Cc1ccccc1F)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466151422 879857343 /nfs/dbraw/zinc/85/73/43/879857343.db2.gz YYPNFANTWNBEFT-UHFFFAOYSA-N 2 2 418.601 4.088 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000467136208 880882490 /nfs/dbraw/zinc/88/24/90/880882490.db2.gz MFBWUFNRLBABJC-JOCHJYFZSA-N 2 2 408.933 4.148 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000467137217 880882801 /nfs/dbraw/zinc/88/28/01/880882801.db2.gz KFCSCPMJNMKVRY-UHFFFAOYSA-N 2 2 420.357 4.265 20 0 HIADLP c1cc(Oc2ccccc2)oc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000503576449 912659326 /nfs/dbraw/zinc/65/93/26/912659326.db2.gz QCNJVSUFWAXVSU-UHFFFAOYSA-N 2 2 408.498 4.073 20 0 HIADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000469630578 883841156 /nfs/dbraw/zinc/84/11/56/883841156.db2.gz KLINJYVECQZMNH-MRXNPFEDSA-N 2 2 421.372 4.261 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2csc(-c3cccc(OC)c3)n2)[C@@H](C)C1 ZINC000469761473 883927723 /nfs/dbraw/zinc/92/77/23/883927723.db2.gz ADQIXSURWROBPB-UWJYYQICSA-N 2 2 403.592 4.045 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2csc(-c3cccc(OC)c3)n2)[C@@H](C)C1 ZINC000469761473 883927738 /nfs/dbraw/zinc/92/77/38/883927738.db2.gz ADQIXSURWROBPB-UWJYYQICSA-N 2 2 403.592 4.045 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469764660 883933949 /nfs/dbraw/zinc/93/39/49/883933949.db2.gz QKOVLUVTUYTHKG-NFBKMPQASA-N 2 2 409.578 4.052 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469787361 883961813 /nfs/dbraw/zinc/96/18/13/883961813.db2.gz OMDKJWLIDSVKQD-YHYVQYDKSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469787361 883961843 /nfs/dbraw/zinc/96/18/43/883961843.db2.gz OMDKJWLIDSVKQD-YHYVQYDKSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469787361 883961874 /nfs/dbraw/zinc/96/18/74/883961874.db2.gz OMDKJWLIDSVKQD-YHYVQYDKSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469787361 883961885 /nfs/dbraw/zinc/96/18/85/883961885.db2.gz OMDKJWLIDSVKQD-YHYVQYDKSA-N 2 2 420.523 4.203 20 0 HIADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000469816167 883994426 /nfs/dbraw/zinc/99/44/26/883994426.db2.gz COJLJWOJJOZYHM-UHFFFAOYSA-N 2 2 405.586 4.166 20 0 HIADLP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000469816167 883994445 /nfs/dbraw/zinc/99/44/45/883994445.db2.gz COJLJWOJJOZYHM-UHFFFAOYSA-N 2 2 405.586 4.166 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469859393 884045106 /nfs/dbraw/zinc/04/51/06/884045106.db2.gz OVYYURGSKSDPSZ-SEDAZVQISA-N 2 2 423.605 4.154 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469859393 884045124 /nfs/dbraw/zinc/04/51/24/884045124.db2.gz OVYYURGSKSDPSZ-SEDAZVQISA-N 2 2 423.605 4.154 20 0 HIADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000471122225 885659353 /nfs/dbraw/zinc/65/93/53/885659353.db2.gz WRMOEFFPHKLGPS-CJAUYULYSA-N 2 2 416.569 4.034 20 0 HIADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000471122225 885659364 /nfs/dbraw/zinc/65/93/64/885659364.db2.gz WRMOEFFPHKLGPS-CJAUYULYSA-N 2 2 416.569 4.034 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471183845 885750415 /nfs/dbraw/zinc/75/04/15/885750415.db2.gz UYMPPXGRCVAOSQ-UYAOXDASSA-N 2 2 404.514 4.195 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471183845 885750427 /nfs/dbraw/zinc/75/04/27/885750427.db2.gz UYMPPXGRCVAOSQ-UYAOXDASSA-N 2 2 404.514 4.195 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471238756 885814690 /nfs/dbraw/zinc/81/46/90/885814690.db2.gz WNWLNJBEEFZHAG-BFMBIBTESA-N 2 2 411.565 4.036 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471238756 885814696 /nfs/dbraw/zinc/81/46/96/885814696.db2.gz WNWLNJBEEFZHAG-BFMBIBTESA-N 2 2 411.565 4.036 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471238756 885814700 /nfs/dbraw/zinc/81/47/00/885814700.db2.gz WNWLNJBEEFZHAG-BFMBIBTESA-N 2 2 411.565 4.036 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)[C@@H](C)C1 ZINC000471238756 885814709 /nfs/dbraw/zinc/81/47/09/885814709.db2.gz WNWLNJBEEFZHAG-BFMBIBTESA-N 2 2 411.565 4.036 20 0 HIADLP Cc1cccc(-c2n[nH]cc2C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000504087414 912995204 /nfs/dbraw/zinc/99/52/04/912995204.db2.gz NYBJDZFQIUWNEF-UHFFFAOYSA-N 2 2 417.601 4.073 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000472298906 887120809 /nfs/dbraw/zinc/12/08/09/887120809.db2.gz NHSZGRCZOHQZDD-UHFFFAOYSA-N 2 2 417.903 4.039 20 0 HIADLP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000473045404 887868217 /nfs/dbraw/zinc/86/82/17/887868217.db2.gz WZJQXSGCCYYRFM-BEFAXECRSA-N 2 2 414.431 4.347 20 0 HIADLP Cc1cn2cc(NC(=O)N3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)ccc2[nH+]1 ZINC000473637171 888379291 /nfs/dbraw/zinc/37/92/91/888379291.db2.gz UNAFWGBMIPMNQE-XMMPIXPASA-N 2 2 403.530 4.163 20 0 HIADLP Cc1cn2cc(NC(=O)N3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)ccc2[nH+]1 ZINC000473637171 888379301 /nfs/dbraw/zinc/37/93/01/888379301.db2.gz UNAFWGBMIPMNQE-XMMPIXPASA-N 2 2 403.530 4.163 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C1CCC(C(F)(F)F)CC1 ZINC000474606877 889473144 /nfs/dbraw/zinc/47/31/44/889473144.db2.gz WTYPBXKIFXRSID-PGYGNJIDSA-N 2 2 414.512 4.244 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc1)C2 ZINC000474897281 889756775 /nfs/dbraw/zinc/75/67/75/889756775.db2.gz CGGSCDCAWUTVKZ-KNKQGSTJSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc1)CC2 ZINC000474897281 889756785 /nfs/dbraw/zinc/75/67/85/889756785.db2.gz CGGSCDCAWUTVKZ-KNKQGSTJSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C[N@@H+]1CCc3ccccc3C1)C(C)(C)C)C2 ZINC000474959876 889815244 /nfs/dbraw/zinc/81/52/44/889815244.db2.gz LPELCSLYBCKGTA-WMZHIEFXSA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C[N@H+]1CCc3ccccc3C1)C(C)(C)C)C2 ZINC000474959876 889815249 /nfs/dbraw/zinc/81/52/49/889815249.db2.gz LPELCSLYBCKGTA-WMZHIEFXSA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C[N@@H+]1CCc3ccccc3C1)C(C)(C)C)CC2 ZINC000474959876 889815253 /nfs/dbraw/zinc/81/52/53/889815253.db2.gz LPELCSLYBCKGTA-WMZHIEFXSA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C[N@H+]1CCc3ccccc3C1)C(C)(C)C)CC2 ZINC000474959876 889815259 /nfs/dbraw/zinc/81/52/59/889815259.db2.gz LPELCSLYBCKGTA-WMZHIEFXSA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C[N@@H+]1CCc3ccccc3C1)C(C)(C)C)C2 ZINC000474959875 889815419 /nfs/dbraw/zinc/81/54/19/889815419.db2.gz LPELCSLYBCKGTA-CVDCTZTESA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C[N@H+]1CCc3ccccc3C1)C(C)(C)C)C2 ZINC000474959875 889815423 /nfs/dbraw/zinc/81/54/23/889815423.db2.gz LPELCSLYBCKGTA-CVDCTZTESA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C[N@@H+]1CCc3ccccc3C1)C(C)(C)C)CC2 ZINC000474959875 889815430 /nfs/dbraw/zinc/81/54/30/889815430.db2.gz LPELCSLYBCKGTA-CVDCTZTESA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C[N@H+]1CCc3ccccc3C1)C(C)(C)C)CC2 ZINC000474959875 889815435 /nfs/dbraw/zinc/81/54/35/889815435.db2.gz LPELCSLYBCKGTA-CVDCTZTESA-N 2 2 422.617 4.227 20 0 HIADLP COc1ccc(C[C@H](C)C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1F ZINC000475358404 890284423 /nfs/dbraw/zinc/28/44/23/890284423.db2.gz NKBLVUHOLJSVMG-NNGSBXSVSA-N 2 2 402.476 4.408 20 0 HIADLP Cc1cc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1OCC[NH+]1CCCC1 ZINC000476089982 891013570 /nfs/dbraw/zinc/01/35/70/891013570.db2.gz IRCMOIHINFCOFF-SFHVURJKSA-N 2 2 410.562 4.060 20 0 HIADLP Cc1cc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1OCC[NH+]1CCCC1 ZINC000476089982 891013584 /nfs/dbraw/zinc/01/35/84/891013584.db2.gz IRCMOIHINFCOFF-SFHVURJKSA-N 2 2 410.562 4.060 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)C2 ZINC000476461180 891373278 /nfs/dbraw/zinc/37/32/78/891373278.db2.gz RUPUEXRXDLQSIO-HLAWJBBLSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)C2 ZINC000476461180 891373293 /nfs/dbraw/zinc/37/32/93/891373293.db2.gz RUPUEXRXDLQSIO-HLAWJBBLSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC000476461180 891373310 /nfs/dbraw/zinc/37/33/10/891373310.db2.gz RUPUEXRXDLQSIO-HLAWJBBLSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CC2 ZINC000476461180 891373331 /nfs/dbraw/zinc/37/33/31/891373331.db2.gz RUPUEXRXDLQSIO-HLAWJBBLSA-N 2 2 408.590 4.055 20 0 HIADLP C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512379657 921117943 /nfs/dbraw/zinc/11/79/43/921117943.db2.gz MPJVCXCFEKMAHJ-UHFFFAOYSA-N 2 2 409.965 4.264 20 0 HIADLP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512379657 921117953 /nfs/dbraw/zinc/11/79/53/921117953.db2.gz MPJVCXCFEKMAHJ-UHFFFAOYSA-N 2 2 409.965 4.264 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(C)c2nc3ccccc3s2)CC1 ZINC000478051873 893200567 /nfs/dbraw/zinc/20/05/67/893200567.db2.gz DSBLTMSIJBYNOL-GOSISDBHSA-N 2 2 414.619 4.236 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)c2nc3ccccc3s2)CC1 ZINC000478051873 893200588 /nfs/dbraw/zinc/20/05/88/893200588.db2.gz DSBLTMSIJBYNOL-GOSISDBHSA-N 2 2 414.619 4.236 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)c(C)c1 ZINC000478175004 893340189 /nfs/dbraw/zinc/34/01/89/893340189.db2.gz IYRBZCRXUIOXRB-VXKWHMMOSA-N 2 2 406.505 4.166 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(Br)c(Cl)s3)[nH+]c2)C1 ZINC000478578334 893857099 /nfs/dbraw/zinc/85/70/99/893857099.db2.gz YOMATEHMCZGGNT-GFCCVEGCSA-N 2 2 415.788 4.311 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000479440886 894757075 /nfs/dbraw/zinc/75/70/75/894757075.db2.gz UZKIQNYCRKSLND-HXUWFJFHSA-N 2 2 409.578 4.058 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000479440886 894757087 /nfs/dbraw/zinc/75/70/87/894757087.db2.gz UZKIQNYCRKSLND-HXUWFJFHSA-N 2 2 409.578 4.058 20 0 HIADLP COc1cc(C)c([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OC ZINC000479491172 894811938 /nfs/dbraw/zinc/81/19/38/894811938.db2.gz SFWSFTUZMOIJIM-OOHWJJMZSA-N 2 2 400.485 4.468 20 0 HIADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000479555237 894853261 /nfs/dbraw/zinc/85/32/61/894853261.db2.gz SUZBECDLKCNXEX-UHFFFAOYSA-N 2 2 406.979 4.019 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000479848539 895179444 /nfs/dbraw/zinc/17/94/44/895179444.db2.gz FSPCAPAQRGOMPP-FSSWDIPSSA-N 2 2 407.668 4.248 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)[C@H](C)C1 ZINC000479848539 895179459 /nfs/dbraw/zinc/17/94/59/895179459.db2.gz FSPCAPAQRGOMPP-FSSWDIPSSA-N 2 2 407.668 4.248 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000479848535 895180074 /nfs/dbraw/zinc/18/00/74/895180074.db2.gz FSPCAPAQRGOMPP-FDFHNCONSA-N 2 2 407.668 4.248 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000479848535 895180078 /nfs/dbraw/zinc/18/00/78/895180078.db2.gz FSPCAPAQRGOMPP-FDFHNCONSA-N 2 2 407.668 4.248 20 0 HIADLP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000479899673 895247194 /nfs/dbraw/zinc/24/71/94/895247194.db2.gz JUFYKLAZNWSFSS-NRFANRHFSA-N 2 2 408.464 4.015 20 0 HIADLP COc1ccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000480087614 895449384 /nfs/dbraw/zinc/44/93/84/895449384.db2.gz GZIMRFYQGVHRKL-NYMACZPPSA-N 2 2 422.617 4.117 20 0 HIADLP COc1ccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000480087614 895449394 /nfs/dbraw/zinc/44/93/94/895449394.db2.gz GZIMRFYQGVHRKL-NYMACZPPSA-N 2 2 422.617 4.117 20 0 HIADLP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000480256290 895667005 /nfs/dbraw/zinc/66/70/05/895667005.db2.gz ACENQHLYTYGUPE-NVQXNPDNSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000480256290 895667012 /nfs/dbraw/zinc/66/70/12/895667012.db2.gz ACENQHLYTYGUPE-NVQXNPDNSA-N 3 2 406.618 4.314 20 0 HIADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480366745 895773975 /nfs/dbraw/zinc/77/39/75/895773975.db2.gz ZPCGJLXMAAQXLO-XMSQKQJNSA-N 2 2 412.480 4.197 20 0 HIADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480366745 895773988 /nfs/dbraw/zinc/77/39/88/895773988.db2.gz ZPCGJLXMAAQXLO-XMSQKQJNSA-N 2 2 412.480 4.197 20 0 HIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000480557675 895918645 /nfs/dbraw/zinc/91/86/45/895918645.db2.gz RVVFWXMHRFVXOF-GOSISDBHSA-N 2 2 403.530 4.109 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(-c2ccccc2)o1 ZINC000480605668 895969489 /nfs/dbraw/zinc/96/94/89/895969489.db2.gz FSTGFOVUTNLPNW-IBGZPJMESA-N 2 2 403.526 4.185 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccccc3OC(F)F)cc2)CC1 ZINC000480693639 896057073 /nfs/dbraw/zinc/05/70/73/896057073.db2.gz MHHLTLNSLKAHKQ-SFHVURJKSA-N 2 2 403.517 4.276 20 0 HIADLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000480723453 896084997 /nfs/dbraw/zinc/08/49/97/896084997.db2.gz ZCTIOCUOYMMQGI-KRWDZBQOSA-N 2 2 421.507 4.415 20 0 HIADLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000480740320 896100942 /nfs/dbraw/zinc/10/09/42/896100942.db2.gz LALQQIZOTWEITD-GOSISDBHSA-N 2 2 403.517 4.276 20 0 HIADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cncc(F)c1 ZINC000480825454 896199057 /nfs/dbraw/zinc/19/90/57/896199057.db2.gz YQTBDLLIHLDFJS-INIZCTEOSA-N 2 2 410.459 4.102 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000481170049 896504377 /nfs/dbraw/zinc/50/43/77/896504377.db2.gz ODHNLWIRRPDZQM-OXQOHEQNSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000481170049 896504401 /nfs/dbraw/zinc/50/44/01/896504401.db2.gz ODHNLWIRRPDZQM-OXQOHEQNSA-N 2 2 405.464 4.144 20 0 HIADLP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000481181386 896520096 /nfs/dbraw/zinc/52/00/96/896520096.db2.gz ZJWDSWRHGFXZJO-GPUOULLFSA-N 2 2 422.617 4.117 20 0 HIADLP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000481181386 896520106 /nfs/dbraw/zinc/52/01/06/896520106.db2.gz ZJWDSWRHGFXZJO-GPUOULLFSA-N 2 2 422.617 4.117 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000481180658 896520505 /nfs/dbraw/zinc/52/05/05/896520505.db2.gz XJTZWBUAXNQTRH-PXDATVDWSA-N 2 2 417.553 4.313 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000481180658 896520517 /nfs/dbraw/zinc/52/05/17/896520517.db2.gz XJTZWBUAXNQTRH-PXDATVDWSA-N 2 2 417.553 4.313 20 0 HIADLP CCSc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481404838 896811388 /nfs/dbraw/zinc/81/13/88/896811388.db2.gz ONSMXWHINBPGIS-IBGZPJMESA-N 2 2 400.588 4.360 20 0 HIADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481422701 896825542 /nfs/dbraw/zinc/82/55/42/896825542.db2.gz KXMQXWHCYTVKSU-QGZVFWFLSA-N 2 2 417.619 4.311 20 0 HIADLP O=C(NCc1ccccc1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000481574760 896953908 /nfs/dbraw/zinc/95/39/08/896953908.db2.gz TZMTXENDASGBTE-AHWVRZQESA-N 2 2 413.565 4.156 20 0 HIADLP O=C(NCc1ccccc1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000481574760 896953923 /nfs/dbraw/zinc/95/39/23/896953923.db2.gz TZMTXENDASGBTE-AHWVRZQESA-N 2 2 413.565 4.156 20 0 HIADLP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000481724811 897120136 /nfs/dbraw/zinc/12/01/36/897120136.db2.gz IBWDFWBDFWOUCV-HXUWFJFHSA-N 3 2 404.558 4.444 20 0 HIADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000481732349 897124884 /nfs/dbraw/zinc/12/48/84/897124884.db2.gz GSNGRBVPHNZQKB-INIZCTEOSA-N 2 2 413.953 4.020 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000482431738 897987311 /nfs/dbraw/zinc/98/73/11/897987311.db2.gz DEYWWCKVYXFFGN-OFNKIYASSA-N 2 2 403.574 4.099 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000482431738 897987321 /nfs/dbraw/zinc/98/73/21/897987321.db2.gz DEYWWCKVYXFFGN-OFNKIYASSA-N 2 2 403.574 4.099 20 0 HIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000482462207 898036593 /nfs/dbraw/zinc/03/65/93/898036593.db2.gz VONHPOPHMCYODB-GCJKJVERSA-N 2 2 409.574 4.277 20 0 HIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000482462207 898036605 /nfs/dbraw/zinc/03/66/05/898036605.db2.gz VONHPOPHMCYODB-GCJKJVERSA-N 2 2 409.574 4.277 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482556211 898147244 /nfs/dbraw/zinc/14/72/44/898147244.db2.gz IINSNIUPQKYATJ-LJQANCHMSA-N 3 2 402.602 4.025 20 0 HIADLP Cc1ccc2[nH+]cc(CNc3cc(NC(=O)C[N@H+]4CCCC[C@H]4C)ccc3F)n2c1 ZINC000482600927 898202656 /nfs/dbraw/zinc/20/26/56/898202656.db2.gz DUMCSLSQOZBHNN-QGZVFWFLSA-N 2 2 409.509 4.207 20 0 HIADLP Cc1ccc2[nH+]cc(CNc3cc(NC(=O)C[N@@H+]4CCCC[C@H]4C)ccc3F)n2c1 ZINC000482600927 898202669 /nfs/dbraw/zinc/20/26/69/898202669.db2.gz DUMCSLSQOZBHNN-QGZVFWFLSA-N 2 2 409.509 4.207 20 0 HIADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000482742694 898346550 /nfs/dbraw/zinc/34/65/50/898346550.db2.gz JIJZZFAHORRPHE-LPHOPBHVSA-N 2 2 403.567 4.009 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000482946343 898571571 /nfs/dbraw/zinc/57/15/71/898571571.db2.gz KNBSYOAIRNVLKX-QZTJIDSGSA-N 2 2 403.592 4.228 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)N1CCC(n2c[nH+]cc2C)CC1)c1cccc(C(F)(F)F)c1 ZINC000505638838 914339804 /nfs/dbraw/zinc/33/98/04/914339804.db2.gz UGHYKGGRDQWQOD-FQEVSTJZSA-N 2 2 422.495 4.457 20 0 HIADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1OC ZINC000483726651 899386703 /nfs/dbraw/zinc/38/67/03/899386703.db2.gz NVBKMXDYSQTUKM-RVKKMQEKSA-N 2 2 403.592 4.193 20 0 HIADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1OC ZINC000483726651 899386716 /nfs/dbraw/zinc/38/67/16/899386716.db2.gz NVBKMXDYSQTUKM-RVKKMQEKSA-N 2 2 403.592 4.193 20 0 HIADLP CC[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1OCC(=O)N(C)C ZINC000483816110 899494633 /nfs/dbraw/zinc/49/46/33/899494633.db2.gz DMBSNGYKMYTMJZ-XMSQKQJNSA-N 2 2 406.530 4.141 20 0 HIADLP COc1cccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C2CCC(O)CC2)c1 ZINC000483925394 899588030 /nfs/dbraw/zinc/58/80/30/899588030.db2.gz NQFNZGFOPMCDJM-UHFFFAOYSA-N 2 2 405.542 4.495 20 0 HIADLP COc1cccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C2CCC(O)CC2)c1 ZINC000483925394 899588040 /nfs/dbraw/zinc/58/80/40/899588040.db2.gz NQFNZGFOPMCDJM-UHFFFAOYSA-N 2 2 405.542 4.495 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1OC(F)(F)F ZINC000484126362 899749181 /nfs/dbraw/zinc/74/91/81/899749181.db2.gz FEGSCRNTBFZOAK-HQRMLTQVSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1OC(F)(F)F ZINC000484126362 899749188 /nfs/dbraw/zinc/74/91/88/899749188.db2.gz FEGSCRNTBFZOAK-HQRMLTQVSA-N 2 2 408.464 4.119 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000484133165 899754438 /nfs/dbraw/zinc/75/44/38/899754438.db2.gz JKIJSCLRRJTDTH-MRXNPFEDSA-N 2 2 410.953 4.252 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC(F)(F)F)cc1 ZINC000484159306 899779639 /nfs/dbraw/zinc/77/96/39/899779639.db2.gz KEQIQQPKSYLIDQ-XJABCFGWSA-N 2 2 422.491 4.161 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OCC(F)(F)F)cc1 ZINC000484159306 899779646 /nfs/dbraw/zinc/77/96/46/899779646.db2.gz KEQIQQPKSYLIDQ-XJABCFGWSA-N 2 2 422.491 4.161 20 0 HIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1OC(F)F ZINC000484162504 899782510 /nfs/dbraw/zinc/78/25/10/899782510.db2.gz OSGHTZJIBJSRSR-JBACZVJFSA-N 2 2 404.501 4.212 20 0 HIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1OC(F)F ZINC000484162504 899782519 /nfs/dbraw/zinc/78/25/19/899782519.db2.gz OSGHTZJIBJSRSR-JBACZVJFSA-N 2 2 404.501 4.212 20 0 HIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484168064 899787922 /nfs/dbraw/zinc/78/79/22/899787922.db2.gz AAEJRRFBNLMUGN-UQBPGWFLSA-N 2 2 421.610 4.330 20 0 HIADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484168064 899787931 /nfs/dbraw/zinc/78/79/31/899787931.db2.gz AAEJRRFBNLMUGN-UQBPGWFLSA-N 2 2 421.610 4.330 20 0 HIADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cs2)cs1 ZINC000484171721 899790786 /nfs/dbraw/zinc/79/07/86/899790786.db2.gz GXSXFVFRJQHNFJ-AOMKIAJQSA-N 2 2 413.612 4.468 20 0 HIADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cs2)cs1 ZINC000484171721 899790796 /nfs/dbraw/zinc/79/07/96/899790796.db2.gz GXSXFVFRJQHNFJ-AOMKIAJQSA-N 2 2 413.612 4.468 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000484172591 899792341 /nfs/dbraw/zinc/79/23/41/899792341.db2.gz ICUNSRQAINTKEQ-NYVOZVTQSA-N 2 2 420.475 4.045 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000484172591 899792349 /nfs/dbraw/zinc/79/23/49/899792349.db2.gz ICUNSRQAINTKEQ-NYVOZVTQSA-N 2 2 420.475 4.045 20 0 HIADLP Cc1cc(N2CCC(OCCC[NH+](C)C)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000484829522 900231547 /nfs/dbraw/zinc/23/15/47/900231547.db2.gz NWJAVDGGXBZDSG-UHFFFAOYSA-N 2 2 411.468 4.379 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486829809 901881535 /nfs/dbraw/zinc/88/15/35/901881535.db2.gz YDLWPDWQOHIGSH-RTWAWAEBSA-N 2 2 403.929 4.106 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000486829809 901881541 /nfs/dbraw/zinc/88/15/41/901881541.db2.gz YDLWPDWQOHIGSH-RTWAWAEBSA-N 2 2 403.929 4.106 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)C[C@@H](C)O1 ZINC000490121038 903778894 /nfs/dbraw/zinc/77/88/94/903778894.db2.gz XXOUGMNEHWKOIH-MPCDZSKCSA-N 2 2 422.548 4.048 20 0 HIADLP CC[NH+](CC)Cc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000490437618 904010991 /nfs/dbraw/zinc/01/09/91/904010991.db2.gz URKRCJBDUKAVQU-QFIPXVFZSA-N 2 2 406.530 4.152 20 0 HIADLP CC[NH+](CC)Cc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000490437618 904011000 /nfs/dbraw/zinc/01/10/00/904011000.db2.gz URKRCJBDUKAVQU-QFIPXVFZSA-N 2 2 406.530 4.152 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000491084124 904418303 /nfs/dbraw/zinc/41/83/03/904418303.db2.gz JSFYSXDKXTUCES-UHFFFAOYSA-N 2 2 420.557 4.268 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cn1 ZINC000491234069 904494433 /nfs/dbraw/zinc/49/44/33/904494433.db2.gz DVETWUHLIIAPSM-LJQANCHMSA-N 2 2 402.542 4.467 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000492227108 904818646 /nfs/dbraw/zinc/81/86/46/904818646.db2.gz QDWSUBXKEWIGOA-FPDPHYFHSA-N 2 2 421.354 4.264 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000492227108 904818654 /nfs/dbraw/zinc/81/86/54/904818654.db2.gz QDWSUBXKEWIGOA-FPDPHYFHSA-N 2 2 421.354 4.264 20 0 HIADLP C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492349730 904836437 /nfs/dbraw/zinc/83/64/37/904836437.db2.gz GYDGCABYVAGUAK-IFMALSPDSA-N 2 2 400.570 4.361 20 0 HIADLP C[C@@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492349730 904836440 /nfs/dbraw/zinc/83/64/40/904836440.db2.gz GYDGCABYVAGUAK-IFMALSPDSA-N 2 2 400.570 4.361 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1)CCC2 ZINC000493306744 905082612 /nfs/dbraw/zinc/08/26/12/905082612.db2.gz UDYNAHKAULCMPK-FYYLOGMGSA-N 2 2 423.582 4.160 20 0 HIADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000493989779 905333124 /nfs/dbraw/zinc/33/31/24/905333124.db2.gz MHTRPPMOPWGWAH-ZLNRFVROSA-N 2 2 416.512 4.345 20 0 HIADLP CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494409219 905700308 /nfs/dbraw/zinc/70/03/08/905700308.db2.gz YOWLZYXGZFLBKX-XMMPIXPASA-N 2 2 411.553 4.462 20 0 HIADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000494996704 906158408 /nfs/dbraw/zinc/15/84/08/906158408.db2.gz NWIIUYOURGOHDJ-TUSQITKMSA-N 2 2 412.549 4.174 20 0 HIADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000494996704 906158418 /nfs/dbraw/zinc/15/84/18/906158418.db2.gz NWIIUYOURGOHDJ-TUSQITKMSA-N 2 2 412.549 4.174 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495181488 906291949 /nfs/dbraw/zinc/29/19/49/906291949.db2.gz DNKGCLBCPKRLPH-SQJMNOBHSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495181488 906291968 /nfs/dbraw/zinc/29/19/68/906291968.db2.gz DNKGCLBCPKRLPH-SQJMNOBHSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495181488 906291985 /nfs/dbraw/zinc/29/19/85/906291985.db2.gz DNKGCLBCPKRLPH-SQJMNOBHSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000495181488 906292005 /nfs/dbraw/zinc/29/20/05/906292005.db2.gz DNKGCLBCPKRLPH-SQJMNOBHSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495181485 906292200 /nfs/dbraw/zinc/29/22/00/906292200.db2.gz DNKGCLBCPKRLPH-BWKNWUBXSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000495181485 906292216 /nfs/dbraw/zinc/29/22/16/906292216.db2.gz DNKGCLBCPKRLPH-BWKNWUBXSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000495181485 906292232 /nfs/dbraw/zinc/29/22/32/906292232.db2.gz DNKGCLBCPKRLPH-BWKNWUBXSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000495181485 906292246 /nfs/dbraw/zinc/29/22/46/906292246.db2.gz DNKGCLBCPKRLPH-BWKNWUBXSA-N 2 2 416.569 4.133 20 0 HIADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000496032626 906603076 /nfs/dbraw/zinc/60/30/76/906603076.db2.gz ITUCZCSKWJTCPA-XMMPIXPASA-N 2 2 404.558 4.381 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC000512618659 921263826 /nfs/dbraw/zinc/26/38/26/921263826.db2.gz JMTWMQWDCAKYEF-KKUQBAQOSA-N 3 2 414.597 4.364 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC000512618659 921263832 /nfs/dbraw/zinc/26/38/32/921263832.db2.gz JMTWMQWDCAKYEF-KKUQBAQOSA-N 3 2 414.597 4.364 20 0 HIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000512660424 921278856 /nfs/dbraw/zinc/27/88/56/921278856.db2.gz NFTPFLKPAJSYBI-GSDHBNRESA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000512660424 921278863 /nfs/dbraw/zinc/27/88/63/921278863.db2.gz NFTPFLKPAJSYBI-GSDHBNRESA-N 3 2 400.570 4.322 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472340 906954075 /nfs/dbraw/zinc/95/40/75/906954075.db2.gz VENNMHDDWVGDIC-GOTSBHOMSA-N 2 2 415.528 4.370 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472340 906954102 /nfs/dbraw/zinc/95/41/02/906954102.db2.gz VENNMHDDWVGDIC-GOTSBHOMSA-N 2 2 415.528 4.370 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472340 906954123 /nfs/dbraw/zinc/95/41/23/906954123.db2.gz VENNMHDDWVGDIC-GOTSBHOMSA-N 2 2 415.528 4.370 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472340 906954140 /nfs/dbraw/zinc/95/41/40/906954140.db2.gz VENNMHDDWVGDIC-GOTSBHOMSA-N 2 2 415.528 4.370 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000498412895 907889218 /nfs/dbraw/zinc/88/92/18/907889218.db2.gz BSNFZHYCWANBSG-UHFFFAOYSA-N 2 2 406.014 4.026 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000498412895 907889222 /nfs/dbraw/zinc/88/92/22/907889222.db2.gz BSNFZHYCWANBSG-UHFFFAOYSA-N 2 2 406.014 4.026 20 0 HIADLP C[NH+](C)Cc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000498599988 908049772 /nfs/dbraw/zinc/04/97/72/908049772.db2.gz LANQBMBNFTZYOY-UHFFFAOYSA-N 2 2 406.555 4.015 20 0 HIADLP C[NH+](C)Cc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000498599988 908049779 /nfs/dbraw/zinc/04/97/79/908049779.db2.gz LANQBMBNFTZYOY-UHFFFAOYSA-N 2 2 406.555 4.015 20 0 HIADLP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)ccn1 ZINC000498803558 908212779 /nfs/dbraw/zinc/21/27/79/908212779.db2.gz TZIHZKBSMSXSRF-XMMPIXPASA-N 2 2 402.498 4.042 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)oc1C ZINC000513058680 921515663 /nfs/dbraw/zinc/51/56/63/921515663.db2.gz PYNMDSZXWMNQLI-CYFREDJKSA-N 3 2 410.606 4.146 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)oc1C ZINC000513058680 921515674 /nfs/dbraw/zinc/51/56/74/921515674.db2.gz PYNMDSZXWMNQLI-CYFREDJKSA-N 3 2 410.606 4.146 20 0 HIADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000513098685 921546952 /nfs/dbraw/zinc/54/69/52/921546952.db2.gz KKMCUHGAMGBBKE-UHFFFAOYSA-N 2 2 417.601 4.073 20 0 HIADLP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000501031863 910248997 /nfs/dbraw/zinc/24/89/97/910248997.db2.gz LEGLOLJXUWWFEJ-FQEVSTJZSA-N 2 2 424.992 4.036 20 0 HIADLP CC(C)C[NH+]1CCC(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000501031865 910249811 /nfs/dbraw/zinc/24/98/11/910249811.db2.gz LEGLOLJXUWWFEJ-HXUWFJFHSA-N 2 2 424.992 4.036 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000501337355 910476820 /nfs/dbraw/zinc/47/68/20/910476820.db2.gz ZYSKSQYMWAJLSI-NDXORKPFSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000501337355 910476825 /nfs/dbraw/zinc/47/68/25/910476825.db2.gz ZYSKSQYMWAJLSI-NDXORKPFSA-N 2 2 422.564 4.004 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501364204 910494430 /nfs/dbraw/zinc/49/44/30/910494430.db2.gz HRXAEGOYNFHQLY-JWQCQUIFSA-N 2 2 414.553 4.058 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000501364204 910494440 /nfs/dbraw/zinc/49/44/40/910494440.db2.gz HRXAEGOYNFHQLY-JWQCQUIFSA-N 2 2 414.553 4.058 20 0 HIADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(SC)cc1OC ZINC000502345072 911324560 /nfs/dbraw/zinc/32/45/60/911324560.db2.gz XKFQPHKQABAVOT-MRXNPFEDSA-N 2 2 401.576 4.338 20 0 HIADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(SC)cc1OC ZINC000502345072 911324579 /nfs/dbraw/zinc/32/45/79/911324579.db2.gz XKFQPHKQABAVOT-MRXNPFEDSA-N 2 2 401.576 4.338 20 0 HIADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000503055446 912021598 /nfs/dbraw/zinc/02/15/98/912021598.db2.gz WGFDSNLLTYAGQD-WMLDXEAASA-N 2 2 401.308 4.384 20 0 HIADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000503055446 912021606 /nfs/dbraw/zinc/02/16/06/912021606.db2.gz WGFDSNLLTYAGQD-WMLDXEAASA-N 2 2 401.308 4.384 20 0 HIADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccccc1Br ZINC000513345831 921728812 /nfs/dbraw/zinc/72/88/12/921728812.db2.gz OEENUCYLNHNBPS-CYBMUJFWSA-N 2 2 409.290 4.223 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000513345033 921729246 /nfs/dbraw/zinc/72/92/46/921729246.db2.gz GDOSYRAHTXCQKF-QAPCUYQASA-N 2 2 404.457 4.159 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000513345033 921729256 /nfs/dbraw/zinc/72/92/56/921729256.db2.gz GDOSYRAHTXCQKF-QAPCUYQASA-N 2 2 404.457 4.159 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000513345034 921729468 /nfs/dbraw/zinc/72/94/68/921729468.db2.gz GDOSYRAHTXCQKF-YJBOKZPZSA-N 2 2 404.457 4.159 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000513345034 921729484 /nfs/dbraw/zinc/72/94/84/921729484.db2.gz GDOSYRAHTXCQKF-YJBOKZPZSA-N 2 2 404.457 4.159 20 0 HIADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475515 915078587 /nfs/dbraw/zinc/07/85/87/915078587.db2.gz XOTAVVQVOGAYKG-UNMCSNQZSA-N 2 2 409.574 4.296 20 0 HIADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475515 915078612 /nfs/dbraw/zinc/07/86/12/915078612.db2.gz XOTAVVQVOGAYKG-UNMCSNQZSA-N 2 2 409.574 4.296 20 0 HIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475515 915078625 /nfs/dbraw/zinc/07/86/25/915078625.db2.gz XOTAVVQVOGAYKG-UNMCSNQZSA-N 2 2 409.574 4.296 20 0 HIADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475515 915078659 /nfs/dbraw/zinc/07/86/59/915078659.db2.gz XOTAVVQVOGAYKG-UNMCSNQZSA-N 2 2 409.574 4.296 20 0 HIADLP CC(C)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccs1 ZINC000506940980 915745186 /nfs/dbraw/zinc/74/51/86/915745186.db2.gz YEHMJBXSBPBWOL-UHFFFAOYSA-N 2 2 403.617 4.146 20 0 HIADLP CC(C)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccs1 ZINC000506940980 915745198 /nfs/dbraw/zinc/74/51/98/915745198.db2.gz YEHMJBXSBPBWOL-UHFFFAOYSA-N 2 2 403.617 4.146 20 0 HIADLP CSCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1nnc2ccccn21 ZINC000507463631 916230238 /nfs/dbraw/zinc/23/02/38/916230238.db2.gz UQLFBBNIXNDDMI-MBDNFAEBSA-N 2 2 421.614 4.024 20 0 HIADLP CSCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1nnc2ccccn21 ZINC000507463631 916230268 /nfs/dbraw/zinc/23/02/68/916230268.db2.gz UQLFBBNIXNDDMI-MBDNFAEBSA-N 2 2 421.614 4.024 20 0 HIADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000507521549 916283510 /nfs/dbraw/zinc/28/35/10/916283510.db2.gz YXVBORRUXDYTPI-DSNGMDLFSA-N 2 2 400.570 4.126 20 0 HIADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000507521549 916283538 /nfs/dbraw/zinc/28/35/38/916283538.db2.gz YXVBORRUXDYTPI-DSNGMDLFSA-N 2 2 400.570 4.126 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCc4c3cc(Cl)cc4Cl)cc2)CC1 ZINC000507813748 916608001 /nfs/dbraw/zinc/60/80/01/916608001.db2.gz SPJTXGPVKFDRIQ-OAQYLSRUSA-N 2 2 418.368 4.158 20 0 HIADLP C[N@@H+](Cc1cc(Br)ccc1OCc1ccccn1)C[C@H]1CCC[NH+](C)C1 ZINC000508552175 917328274 /nfs/dbraw/zinc/32/82/74/917328274.db2.gz MEIKPIBEWYMISM-KRWDZBQOSA-N 2 2 418.379 4.197 20 0 HIADLP C[N@H+](Cc1cc(Br)ccc1OCc1ccccn1)C[C@H]1CCC[NH+](C)C1 ZINC000508552175 917328278 /nfs/dbraw/zinc/32/82/78/917328278.db2.gz MEIKPIBEWYMISM-KRWDZBQOSA-N 2 2 418.379 4.197 20 0 HIADLP C[NH+](Cc1cc(Br)ccc1OCc1ccccn1)C[C@H]1CCC[N@H+](C)C1 ZINC000508552175 917328294 /nfs/dbraw/zinc/32/82/94/917328294.db2.gz MEIKPIBEWYMISM-KRWDZBQOSA-N 2 2 418.379 4.197 20 0 HIADLP C[NH+](Cc1cc(Br)ccc1OCc1ccccn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000508552175 917328302 /nfs/dbraw/zinc/32/83/02/917328302.db2.gz MEIKPIBEWYMISM-KRWDZBQOSA-N 2 2 418.379 4.197 20 0 HIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000508676319 917439785 /nfs/dbraw/zinc/43/97/85/917439785.db2.gz ITRYZWJTOPUOMF-LJQANCHMSA-N 2 2 411.981 4.390 20 0 HIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000508676319 917439792 /nfs/dbraw/zinc/43/97/92/917439792.db2.gz ITRYZWJTOPUOMF-LJQANCHMSA-N 2 2 411.981 4.390 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000509047489 917798750 /nfs/dbraw/zinc/79/87/50/917798750.db2.gz BJVTXYDVCADPDB-FQEVSTJZSA-N 2 2 403.958 4.035 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000509047489 917798752 /nfs/dbraw/zinc/79/87/52/917798752.db2.gz BJVTXYDVCADPDB-FQEVSTJZSA-N 2 2 403.958 4.035 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Cl)cc1 ZINC000509047489 917798755 /nfs/dbraw/zinc/79/87/55/917798755.db2.gz BJVTXYDVCADPDB-FQEVSTJZSA-N 2 2 403.958 4.035 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(Cl)cc1 ZINC000509047489 917798757 /nfs/dbraw/zinc/79/87/57/917798757.db2.gz BJVTXYDVCADPDB-FQEVSTJZSA-N 2 2 403.958 4.035 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000509698403 918329480 /nfs/dbraw/zinc/32/94/80/918329480.db2.gz NJYQZELAHVDRRU-UHFFFAOYSA-N 2 2 414.421 4.191 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000509698403 918329498 /nfs/dbraw/zinc/32/94/98/918329498.db2.gz NJYQZELAHVDRRU-UHFFFAOYSA-N 2 2 414.421 4.191 20 0 HIADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)[NH+](C)C ZINC000510552541 918997230 /nfs/dbraw/zinc/99/72/30/918997230.db2.gz VYMXXTQACLXSRQ-KOSHJBKYSA-N 2 2 417.557 4.127 20 0 HIADLP CCCCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000511185836 919805930 /nfs/dbraw/zinc/80/59/30/919805930.db2.gz OUYFZSPGHVNJCK-UYAOXDASSA-N 2 2 400.611 4.092 20 0 HIADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)sc1Br ZINC000512054464 920824578 /nfs/dbraw/zinc/82/45/78/920824578.db2.gz VTITWDQDCCZBOT-CGTJXYLNSA-N 2 2 423.420 4.353 20 0 HIADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)sc1Br ZINC000512054464 920824584 /nfs/dbraw/zinc/82/45/84/920824584.db2.gz VTITWDQDCCZBOT-CGTJXYLNSA-N 2 2 423.420 4.353 20 0 HIADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cscc3Br)cc2)C[C@H](C)O1 ZINC000512088942 920853106 /nfs/dbraw/zinc/85/31/06/920853106.db2.gz PXAKANIWIUSIJL-GJZGRUSLSA-N 2 2 409.393 4.410 20 0 HIADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512280144 921035038 /nfs/dbraw/zinc/03/50/38/921035038.db2.gz VJRTUPPAMLUZQG-AREMUKBSSA-N 2 2 405.586 4.170 20 0 HIADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512280144 921035044 /nfs/dbraw/zinc/03/50/44/921035044.db2.gz VJRTUPPAMLUZQG-AREMUKBSSA-N 2 2 405.586 4.170 20 0 HIADLP CC(C)CNC(=O)c1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000512280144 921035053 /nfs/dbraw/zinc/03/50/53/921035053.db2.gz VJRTUPPAMLUZQG-AREMUKBSSA-N 2 2 405.586 4.170 20 0 HIADLP CC(C)CNC(=O)c1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000512280144 921035062 /nfs/dbraw/zinc/03/50/62/921035062.db2.gz VJRTUPPAMLUZQG-AREMUKBSSA-N 2 2 405.586 4.170 20 0 HIADLP CCOc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1OC(F)F ZINC000512359979 921102920 /nfs/dbraw/zinc/10/29/20/921102920.db2.gz PSDGWJQAHAGCGH-UHFFFAOYSA-N 2 2 419.516 4.221 20 0 HIADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1OC(F)F ZINC000512359979 921102924 /nfs/dbraw/zinc/10/29/24/921102924.db2.gz PSDGWJQAHAGCGH-UHFFFAOYSA-N 2 2 419.516 4.221 20 0 HIADLP C[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512364412 921106056 /nfs/dbraw/zinc/10/60/56/921106056.db2.gz FZMGWSKECOJKOI-UHFFFAOYSA-N 2 2 409.908 4.475 20 0 HIADLP C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512364412 921106060 /nfs/dbraw/zinc/10/60/60/921106060.db2.gz FZMGWSKECOJKOI-UHFFFAOYSA-N 2 2 409.908 4.475 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccccc3NC3CC[NH+](C)CC3)cn2c1 ZINC000514235137 922572419 /nfs/dbraw/zinc/57/24/19/922572419.db2.gz XQZCFOXWXDMXKI-UHFFFAOYSA-N 2 2 423.586 4.021 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccsc1 ZINC000514458362 922635833 /nfs/dbraw/zinc/63/58/33/922635833.db2.gz NQUNHZPMYNVVAS-UXHICEINSA-N 2 2 421.010 4.141 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817781 922812712 /nfs/dbraw/zinc/81/27/12/922812712.db2.gz IRQPPSTVPITJDU-ZWKOTPCHSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817781 922812722 /nfs/dbraw/zinc/81/27/22/922812722.db2.gz IRQPPSTVPITJDU-ZWKOTPCHSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817781 922812742 /nfs/dbraw/zinc/81/27/42/922812742.db2.gz IRQPPSTVPITJDU-ZWKOTPCHSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817781 922812747 /nfs/dbraw/zinc/81/27/47/922812747.db2.gz IRQPPSTVPITJDU-ZWKOTPCHSA-N 2 2 420.022 4.169 20 0 HIADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000515189943 922978559 /nfs/dbraw/zinc/97/85/59/922978559.db2.gz VZSXTQHLHWUTKD-YKSBVNFPSA-N 2 2 423.601 4.105 20 0 HIADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000515189943 922978566 /nfs/dbraw/zinc/97/85/66/922978566.db2.gz VZSXTQHLHWUTKD-YKSBVNFPSA-N 2 2 423.601 4.105 20 0 HIADLP CC(C)c1scnc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000515249869 923016083 /nfs/dbraw/zinc/01/60/83/923016083.db2.gz KWIMIZJWRHTIDF-ZWKOTPCHSA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)c1scnc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000515249869 923016086 /nfs/dbraw/zinc/01/60/86/923016086.db2.gz KWIMIZJWRHTIDF-ZWKOTPCHSA-N 2 2 407.628 4.067 20 0 HIADLP FC(F)(F)c1ccc(Br)c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000517205618 924053217 /nfs/dbraw/zinc/05/32/17/924053217.db2.gz XBOPNHIDSQOSAD-ZDUSSCGKSA-N 2 2 421.301 4.058 20 0 HIADLP CC(C)(C)c1n[nH]cc1C[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000517538872 924252195 /nfs/dbraw/zinc/25/21/95/924252195.db2.gz PAYDHOPQYHYVDF-UHFFFAOYSA-N 2 2 423.527 4.028 20 0 HIADLP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000519228489 927836370 /nfs/dbraw/zinc/83/63/70/927836370.db2.gz NKQOFSGAKUTDLP-INIZCTEOSA-N 2 2 410.400 4.220 20 0 HIADLP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000519228489 927836379 /nfs/dbraw/zinc/83/63/79/927836379.db2.gz NKQOFSGAKUTDLP-INIZCTEOSA-N 2 2 410.400 4.220 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccccc1 ZINC000520491654 928597350 /nfs/dbraw/zinc/59/73/50/928597350.db2.gz KBVXJXDDASIMIR-XLIONFOSSA-N 2 2 400.592 4.397 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccccc1 ZINC000520491654 928597363 /nfs/dbraw/zinc/59/73/63/928597363.db2.gz KBVXJXDDASIMIR-XLIONFOSSA-N 2 2 400.592 4.397 20 0 HIADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000520601365 928665087 /nfs/dbraw/zinc/66/50/87/928665087.db2.gz OWLBNCXAXLQWDV-HXUWFJFHSA-N 2 2 424.589 4.195 20 0 HIADLP CC1CC[NH+]([C@@H](CNC(=O)NCCCCNc2cccc[nH+]2)c2ccccc2)CC1 ZINC000524657275 929769396 /nfs/dbraw/zinc/76/93/96/929769396.db2.gz OCXAXQKKEJXWGA-QFIPXVFZSA-N 2 2 409.578 4.046 20 0 HIADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(Br)cc1F ZINC000525857691 930469627 /nfs/dbraw/zinc/46/96/27/930469627.db2.gz SRMDYUCVMSRHHP-IERDGZPVSA-N 2 2 420.370 4.228 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000531285123 931000753 /nfs/dbraw/zinc/00/07/53/931000753.db2.gz DAWDGTZFCYYMCJ-BEFAXECRSA-N 2 2 410.484 4.046 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(Cl)cc1 ZINC000531315202 931014126 /nfs/dbraw/zinc/01/41/26/931014126.db2.gz NTHOXVIYPMUDDP-GOSISDBHSA-N 2 2 421.998 4.207 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(C(F)(F)F)c1 ZINC000531643018 931137298 /nfs/dbraw/zinc/13/72/98/931137298.db2.gz IINVIGJUIJUDJN-IBGZPJMESA-N 2 2 404.436 4.052 20 0 HIADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000531758886 931185126 /nfs/dbraw/zinc/18/51/26/931185126.db2.gz VXSHLBRCVPDXPM-PMACEKPBSA-N 2 2 419.363 4.177 20 0 HIADLP FC(F)(F)c1cccc(CN2CCC([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000531939881 931255048 /nfs/dbraw/zinc/25/50/48/931255048.db2.gz NTAQWJKJHUDJCV-UHFFFAOYSA-N 2 2 418.507 4.323 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000531945968 931258082 /nfs/dbraw/zinc/25/80/82/931258082.db2.gz MWMBDZZSRCRCQD-CYBMUJFWSA-N 2 2 400.408 4.093 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2)oc1C ZINC000531970004 931270530 /nfs/dbraw/zinc/27/05/30/931270530.db2.gz TZNXKXIFFZJAFO-GOSISDBHSA-N 3 2 407.562 4.348 20 0 HIADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000532016223 931285777 /nfs/dbraw/zinc/28/57/77/931285777.db2.gz MHPKJNUPKOGDCE-PMACEKPBSA-N 2 2 419.363 4.177 20 0 HIADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000532222375 931360638 /nfs/dbraw/zinc/36/06/38/931360638.db2.gz WOPGMUOMAHXFFU-HNNXBMFYSA-N 2 2 402.420 4.398 20 0 HIADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000532222376 931360858 /nfs/dbraw/zinc/36/08/58/931360858.db2.gz WOPGMUOMAHXFFU-OAHLLOKOSA-N 2 2 402.420 4.398 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000532461740 931445617 /nfs/dbraw/zinc/44/56/17/931445617.db2.gz QNXDIZZOTZSHDW-FOVJLYNBSA-N 2 2 413.009 4.372 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000532461740 931445619 /nfs/dbraw/zinc/44/56/19/931445619.db2.gz QNXDIZZOTZSHDW-FOVJLYNBSA-N 2 2 413.009 4.372 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000532507492 931466509 /nfs/dbraw/zinc/46/65/09/931466509.db2.gz MNLRVZLZFGWSID-UHFFFAOYSA-N 2 2 404.624 4.211 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000532507492 931466513 /nfs/dbraw/zinc/46/65/13/931466513.db2.gz MNLRVZLZFGWSID-UHFFFAOYSA-N 2 2 404.624 4.211 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000532989359 931728780 /nfs/dbraw/zinc/72/87/80/931728780.db2.gz TUMPNYJIJASYCR-HIFRSBDPSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000532989359 931728787 /nfs/dbraw/zinc/72/87/87/931728787.db2.gz TUMPNYJIJASYCR-HIFRSBDPSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532989359 931728792 /nfs/dbraw/zinc/72/87/92/931728792.db2.gz TUMPNYJIJASYCR-HIFRSBDPSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532989359 931728795 /nfs/dbraw/zinc/72/87/95/931728795.db2.gz TUMPNYJIJASYCR-HIFRSBDPSA-N 2 2 423.351 4.287 20 0 HIADLP CC[N@H+](Cc1nc(-c2ccoc2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073991 931763271 /nfs/dbraw/zinc/76/32/71/931763271.db2.gz DGCOQOIVECOZGW-UHFFFAOYSA-N 2 2 410.522 4.042 20 0 HIADLP CC[N@@H+](Cc1nc(-c2ccoc2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073991 931763275 /nfs/dbraw/zinc/76/32/75/931763275.db2.gz DGCOQOIVECOZGW-UHFFFAOYSA-N 2 2 410.522 4.042 20 0 HIADLP CC[N@H+](Cc1ncc(C)c(OC)c1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073753 931763819 /nfs/dbraw/zinc/76/38/19/931763819.db2.gz WJADUHNLRZRDIK-UHFFFAOYSA-N 2 2 411.594 4.420 20 0 HIADLP CC[N@@H+](Cc1ncc(C)c(OC)c1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073753 931763826 /nfs/dbraw/zinc/76/38/26/931763826.db2.gz WJADUHNLRZRDIK-UHFFFAOYSA-N 2 2 411.594 4.420 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(OC(F)F)c(Cl)c3)[nH+]c2)CC1 ZINC000533186955 931804100 /nfs/dbraw/zinc/80/41/00/931804100.db2.gz OGRLZQALQSJVMP-UHFFFAOYSA-N 2 2 410.896 4.479 20 0 HIADLP NC(=O)c1csc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000533191244 931805360 /nfs/dbraw/zinc/80/53/60/931805360.db2.gz BPIHWHXPNQDOBF-UHFFFAOYSA-N 2 2 402.523 4.049 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000533347579 931844470 /nfs/dbraw/zinc/84/44/70/931844470.db2.gz VVPBMEJFQJGPQG-UHFFFAOYSA-N 2 2 418.545 4.071 20 0 HIADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1ncc(Br)s1 ZINC000533783932 932030333 /nfs/dbraw/zinc/03/03/33/932030333.db2.gz QQCBAAOMLLJNAI-CQSZACIVSA-N 2 2 412.397 4.477 20 0 HIADLP CN(C(=O)Nc1cccc(OC(F)F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534196678 932325957 /nfs/dbraw/zinc/32/59/57/932325957.db2.gz YGVBGPYTSBEOIG-PMACEKPBSA-N 2 2 424.536 4.089 20 0 HIADLP CN(C(=O)Nc1cccc(OC(F)F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534196678 932325966 /nfs/dbraw/zinc/32/59/66/932325966.db2.gz YGVBGPYTSBEOIG-PMACEKPBSA-N 2 2 424.536 4.089 20 0 HIADLP CN(C(=O)CCc1ccccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358650 932392067 /nfs/dbraw/zinc/39/20/67/932392067.db2.gz GGCIRZOOZBIPTI-FGZHOGPDSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1ccccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358650 932392073 /nfs/dbraw/zinc/39/20/73/932392073.db2.gz GGCIRZOOZBIPTI-FGZHOGPDSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCCc1ccc(F)c(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361175 932394666 /nfs/dbraw/zinc/39/46/66/932394666.db2.gz UZTVRKYVGKTTNX-PKTZIBPZSA-N 2 2 421.576 4.083 20 0 HIADLP CN(C(=O)CCCc1ccc(F)c(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361175 932394673 /nfs/dbraw/zinc/39/46/73/932394673.db2.gz UZTVRKYVGKTTNX-PKTZIBPZSA-N 2 2 421.576 4.083 20 0 HIADLP Cc1ccc2nc(C)c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000534361476 932395181 /nfs/dbraw/zinc/39/51/81/932395181.db2.gz ZRMCFBZHPIHTAR-RPBOFIJWSA-N 2 2 422.617 4.261 20 0 HIADLP Cc1ccc2nc(C)c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000534361476 932395185 /nfs/dbraw/zinc/39/51/85/932395185.db2.gz ZRMCFBZHPIHTAR-RPBOFIJWSA-N 2 2 422.617 4.261 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000534598578 932584678 /nfs/dbraw/zinc/58/46/78/932584678.db2.gz SGSUWMJDMITZIN-UHFFFAOYSA-N 2 2 419.573 4.332 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534929799 932843316 /nfs/dbraw/zinc/84/33/16/932843316.db2.gz DVFVCZPZWNGIGG-WOJBJXKFSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534929799 932843321 /nfs/dbraw/zinc/84/33/21/932843321.db2.gz DVFVCZPZWNGIGG-WOJBJXKFSA-N 2 2 410.965 4.280 20 0 HIADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000534948657 932853265 /nfs/dbraw/zinc/85/32/65/932853265.db2.gz SDQJQOZKJFIKMR-SFTDATJTSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000534948657 932853269 /nfs/dbraw/zinc/85/32/69/932853269.db2.gz SDQJQOZKJFIKMR-SFTDATJTSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)cc1F ZINC000535095017 932908843 /nfs/dbraw/zinc/90/88/43/932908843.db2.gz JNTYDKASZWALQW-NHCUHLMSSA-N 2 2 409.977 4.197 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)cc1F ZINC000535095017 932908850 /nfs/dbraw/zinc/90/88/50/932908850.db2.gz JNTYDKASZWALQW-NHCUHLMSSA-N 2 2 409.977 4.197 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000535095918 932911053 /nfs/dbraw/zinc/91/10/53/932911053.db2.gz LMLFEPAVLMTUAK-YSZBQJHXSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000535095918 932911069 /nfs/dbraw/zinc/91/10/69/932911069.db2.gz LMLFEPAVLMTUAK-YSZBQJHXSA-N 2 2 403.586 4.115 20 0 HIADLP CC[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000535119316 932937268 /nfs/dbraw/zinc/93/72/68/932937268.db2.gz AHBJHHHBYAXNBE-HUVFLSCGSA-N 2 2 414.638 4.159 20 0 HIADLP CC[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000535119316 932937280 /nfs/dbraw/zinc/93/72/80/932937280.db2.gz AHBJHHHBYAXNBE-HUVFLSCGSA-N 2 2 414.638 4.159 20 0 HIADLP C[NH+](C)CCOc1cccc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000535304146 933061138 /nfs/dbraw/zinc/06/11/38/933061138.db2.gz OMLFSRHADBMUAE-UHFFFAOYSA-N 2 2 417.513 4.186 20 0 HIADLP CO[C@H](C)c1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535653538 933295540 /nfs/dbraw/zinc/29/55/40/933295540.db2.gz BJKNKNRRFXGYHK-YSZBQJHXSA-N 2 2 416.610 4.195 20 0 HIADLP CO[C@H](C)c1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535653538 933295552 /nfs/dbraw/zinc/29/55/52/933295552.db2.gz BJKNKNRRFXGYHK-YSZBQJHXSA-N 2 2 416.610 4.195 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535655738 933299747 /nfs/dbraw/zinc/29/97/47/933299747.db2.gz QJGQTMFQQXPQSU-RTWAWAEBSA-N 2 2 420.573 4.025 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535655738 933299764 /nfs/dbraw/zinc/29/97/64/933299764.db2.gz QJGQTMFQQXPQSU-RTWAWAEBSA-N 2 2 420.573 4.025 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000535810266 933405946 /nfs/dbraw/zinc/40/59/46/933405946.db2.gz AIQWTJYNNACJLX-UTKZUKDTSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000535810266 933405951 /nfs/dbraw/zinc/40/59/51/933405951.db2.gz AIQWTJYNNACJLX-UTKZUKDTSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000535810266 933405955 /nfs/dbraw/zinc/40/59/55/933405955.db2.gz AIQWTJYNNACJLX-UTKZUKDTSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000535810266 933405959 /nfs/dbraw/zinc/40/59/59/933405959.db2.gz AIQWTJYNNACJLX-UTKZUKDTSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1[nH]c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849794 933432788 /nfs/dbraw/zinc/43/27/88/933432788.db2.gz RIGZSFUWKHHTLD-BJKOFHAPSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1[nH]c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849794 933432795 /nfs/dbraw/zinc/43/27/95/933432795.db2.gz RIGZSFUWKHHTLD-BJKOFHAPSA-N 2 2 410.606 4.194 20 0 HIADLP CCCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535851624 933435872 /nfs/dbraw/zinc/43/58/72/933435872.db2.gz IWOUGLUZRASAFM-RPWUZVMVSA-N 2 2 415.622 4.275 20 0 HIADLP CCCCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535851624 933435874 /nfs/dbraw/zinc/43/58/74/933435874.db2.gz IWOUGLUZRASAFM-RPWUZVMVSA-N 2 2 415.622 4.275 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694373 938357051 /nfs/dbraw/zinc/35/70/51/938357051.db2.gz IGVKMDLGCFKHIJ-VXKWHMMOSA-N 2 2 410.558 4.199 20 0 HIADLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694373 938357057 /nfs/dbraw/zinc/35/70/57/938357057.db2.gz IGVKMDLGCFKHIJ-VXKWHMMOSA-N 2 2 410.558 4.199 20 0 HIADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694373 938357060 /nfs/dbraw/zinc/35/70/60/938357060.db2.gz IGVKMDLGCFKHIJ-VXKWHMMOSA-N 2 2 410.558 4.199 20 0 HIADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694373 938357063 /nfs/dbraw/zinc/35/70/63/938357063.db2.gz IGVKMDLGCFKHIJ-VXKWHMMOSA-N 2 2 410.558 4.199 20 0 HIADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000537938859 938423308 /nfs/dbraw/zinc/42/33/08/938423308.db2.gz UPLGNMGSJKTLCL-YGOYIFOWSA-N 2 2 400.530 4.491 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000537945255 938428053 /nfs/dbraw/zinc/42/80/53/938428053.db2.gz HDQGHCLXDNFNQG-CZAAIQMYSA-N 2 2 403.364 4.125 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CC[N@H+]1Cc1ccccc1 ZINC000537945255 938428056 /nfs/dbraw/zinc/42/80/56/938428056.db2.gz HDQGHCLXDNFNQG-CZAAIQMYSA-N 2 2 403.364 4.125 20 0 HIADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000538044740 938479892 /nfs/dbraw/zinc/47/98/92/938479892.db2.gz HUJPYBGZNHBUQY-HOTGVXAUSA-N 2 2 401.378 4.084 20 0 HIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cn3cc(C)ccc3n2)cc1 ZINC000538119302 938507347 /nfs/dbraw/zinc/50/73/47/938507347.db2.gz DQIPLIDHVKCLDR-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cn3cc(C)ccc3n2)cc1 ZINC000538119302 938507353 /nfs/dbraw/zinc/50/73/53/938507353.db2.gz DQIPLIDHVKCLDR-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000538418818 938616432 /nfs/dbraw/zinc/61/64/32/938616432.db2.gz VEGOPPWSPBTSPI-DNVCBOLYSA-N 2 2 410.436 4.258 20 0 HIADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000538418818 938616434 /nfs/dbraw/zinc/61/64/34/938616434.db2.gz VEGOPPWSPBTSPI-DNVCBOLYSA-N 2 2 410.436 4.258 20 0 HIADLP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538502876 938636894 /nfs/dbraw/zinc/63/68/94/938636894.db2.gz OONNVZFRHHJEGQ-FYYLOGMGSA-N 2 2 415.940 4.005 20 0 HIADLP CC(C)[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000538507770 938638377 /nfs/dbraw/zinc/63/83/77/938638377.db2.gz CWWGYFROTYNDMM-CTNGQTDRSA-N 2 2 413.528 4.011 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000539085287 938799657 /nfs/dbraw/zinc/79/96/57/938799657.db2.gz WKXRXXZCZLBQGC-RXVVDRJESA-N 2 2 407.587 4.033 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000539085287 938799662 /nfs/dbraw/zinc/79/96/62/938799662.db2.gz WKXRXXZCZLBQGC-RXVVDRJESA-N 2 2 407.587 4.033 20 0 HIADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000539245528 938824825 /nfs/dbraw/zinc/82/48/25/938824825.db2.gz FWCZBYIXVUAHJM-UHFFFAOYSA-N 2 2 424.357 4.274 20 0 HIADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000539245528 938824826 /nfs/dbraw/zinc/82/48/26/938824826.db2.gz FWCZBYIXVUAHJM-UHFFFAOYSA-N 2 2 424.357 4.274 20 0 HIADLP CC[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cc(F)ccc1F ZINC000539360634 938848380 /nfs/dbraw/zinc/84/83/80/938848380.db2.gz NABCJJBWPQIKRI-OAQYLSRUSA-N 2 2 419.541 4.193 20 0 HIADLP CC(C)[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000539451772 938862720 /nfs/dbraw/zinc/86/27/20/938862720.db2.gz WOEGXVMHIHHRMX-UHFFFAOYSA-N 2 2 402.848 4.295 20 0 HIADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000539451772 938862722 /nfs/dbraw/zinc/86/27/22/938862722.db2.gz WOEGXVMHIHHRMX-UHFFFAOYSA-N 2 2 402.848 4.295 20 0 HIADLP Cc1c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cnn1-c1ccc(F)cc1 ZINC000539658519 938895623 /nfs/dbraw/zinc/89/56/23/938895623.db2.gz AVGKFTBYGSYUKU-IIBYNOLFSA-N 2 2 408.525 4.028 20 0 HIADLP CCc1ccccc1NC(=O)C[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539688488 938902346 /nfs/dbraw/zinc/90/23/46/938902346.db2.gz JZQHEICLFFMOOJ-GOSISDBHSA-N 2 2 409.578 4.004 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)c(C)c1 ZINC000540146204 939090658 /nfs/dbraw/zinc/09/06/58/939090658.db2.gz AZSHOASQYCHMLH-SQJMNOBHSA-N 2 2 404.558 4.429 20 0 HIADLP Cc1ccc(SC2CCCC2)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000540726333 939350647 /nfs/dbraw/zinc/35/06/47/939350647.db2.gz UCVDCSIMWDAAPA-UHFFFAOYSA-N 2 2 415.647 4.318 20 0 HIADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1Br ZINC000540757146 939361385 /nfs/dbraw/zinc/36/13/85/939361385.db2.gz ZMJBABBGSNIVGE-PBHICJAKSA-N 2 2 419.367 4.166 20 0 HIADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541202845 939485447 /nfs/dbraw/zinc/48/54/47/939485447.db2.gz NWCBSNDISIOMAG-UHFFFAOYSA-N 2 2 423.388 4.341 20 0 HIADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccccc1 ZINC000541392703 939503843 /nfs/dbraw/zinc/50/38/43/939503843.db2.gz JIZHNSSOMSPNHT-QHCPKHFHSA-N 2 2 416.550 4.298 20 0 HIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541395236 939504359 /nfs/dbraw/zinc/50/43/59/939504359.db2.gz AJDMVHMIDWEMCD-WTIAFYNJSA-N 2 2 420.601 4.445 20 0 HIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541395236 939504363 /nfs/dbraw/zinc/50/43/63/939504363.db2.gz AJDMVHMIDWEMCD-WTIAFYNJSA-N 2 2 420.601 4.445 20 0 HIADLP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000541397469 939505330 /nfs/dbraw/zinc/50/53/30/939505330.db2.gz ILBVXXUHXPQWOG-FQEVSTJZSA-N 2 2 400.611 4.074 20 0 HIADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541398323 939505428 /nfs/dbraw/zinc/50/54/28/939505428.db2.gz IAWSRXFABSRCMJ-JOCHJYFZSA-N 2 2 420.601 4.058 20 0 HIADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541398323 939505429 /nfs/dbraw/zinc/50/54/29/939505429.db2.gz IAWSRXFABSRCMJ-JOCHJYFZSA-N 2 2 420.601 4.058 20 0 HIADLP CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1F ZINC000541916297 939652676 /nfs/dbraw/zinc/65/26/76/939652676.db2.gz FLOVWCIZCKOFHR-JOCHJYFZSA-N 2 2 417.956 4.354 20 0 HIADLP CC(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000541986799 939670779 /nfs/dbraw/zinc/67/07/79/939670779.db2.gz RUOBXCGFMLMXGE-FQEVSTJZSA-N 2 2 406.636 4.345 20 0 HIADLP CC(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000541986799 939670784 /nfs/dbraw/zinc/67/07/84/939670784.db2.gz RUOBXCGFMLMXGE-FQEVSTJZSA-N 2 2 406.636 4.345 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccsc1 ZINC000542108953 939716777 /nfs/dbraw/zinc/71/67/77/939716777.db2.gz FZTKBSNZAPUYHX-OAQYLSRUSA-N 2 2 417.623 4.230 20 0 HIADLP CN(C(=O)c1ccc(-c2cccs2)o1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542180611 939746754 /nfs/dbraw/zinc/74/67/54/939746754.db2.gz CRQFDDBVOBQXLK-RBUKOAKNSA-N 2 2 415.603 4.417 20 0 HIADLP CN(C(=O)c1ccc(-c2cccs2)o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542180611 939746755 /nfs/dbraw/zinc/74/67/55/939746755.db2.gz CRQFDDBVOBQXLK-RBUKOAKNSA-N 2 2 415.603 4.417 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000542480165 939830431 /nfs/dbraw/zinc/83/04/31/939830431.db2.gz WPPCRYKLWPFCRK-SANMLTNESA-N 2 2 418.560 4.237 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000542480164 939830567 /nfs/dbraw/zinc/83/05/67/939830567.db2.gz WPPCRYKLWPFCRK-AREMUKBSSA-N 2 2 418.560 4.237 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cnccn3)cc2)C[C@H](C)O1 ZINC000542481841 939830773 /nfs/dbraw/zinc/83/07/73/939830773.db2.gz HMZJFLMBMYDBAX-HHJKRLRDSA-N 2 2 420.532 4.104 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cnccn3)cc2)C[C@H](C)O1 ZINC000542481841 939830774 /nfs/dbraw/zinc/83/07/74/939830774.db2.gz HMZJFLMBMYDBAX-HHJKRLRDSA-N 2 2 420.532 4.104 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1 ZINC000542886125 939865251 /nfs/dbraw/zinc/86/52/51/939865251.db2.gz RWNWJNMLTNNJPP-HNNXBMFYSA-N 2 2 417.538 4.254 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460217 940070355 /nfs/dbraw/zinc/07/03/55/940070355.db2.gz JFWCYPXOSKLXJJ-LSDHHAIUSA-N 2 2 404.605 4.053 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460217 940070356 /nfs/dbraw/zinc/07/03/56/940070356.db2.gz JFWCYPXOSKLXJJ-LSDHHAIUSA-N 2 2 404.605 4.053 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccc(F)cc1 ZINC000544196010 940350120 /nfs/dbraw/zinc/35/01/20/940350120.db2.gz VMBWZQNRVSVZTR-DENIHFKCSA-N 2 2 412.553 4.051 20 0 HIADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000544392081 940410520 /nfs/dbraw/zinc/41/05/20/940410520.db2.gz QDSHTPNRMGACGQ-LJQANCHMSA-N 2 2 404.558 4.381 20 0 HIADLP Cc1nc(C[NH+]2CCC(c3nc(-c4ccc(F)c(C[NH+](C)C)c4)no3)CC2)cs1 ZINC000545745579 940583466 /nfs/dbraw/zinc/58/34/66/940583466.db2.gz BCBWPLKPPDSSNM-UHFFFAOYSA-N 2 2 415.538 4.082 20 0 HIADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000546056039 940684111 /nfs/dbraw/zinc/68/41/11/940684111.db2.gz VOMAGAYVILSQCD-UHFFFAOYSA-N 2 2 401.489 4.429 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000564007402 945345260 /nfs/dbraw/zinc/34/52/60/945345260.db2.gz COULEEAFGMBIRI-KTIWRFAQSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000564007402 945345274 /nfs/dbraw/zinc/34/52/74/945345274.db2.gz COULEEAFGMBIRI-KTIWRFAQSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000564007402 945345288 /nfs/dbraw/zinc/34/52/88/945345288.db2.gz COULEEAFGMBIRI-KTIWRFAQSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564007402 945345302 /nfs/dbraw/zinc/34/53/02/945345302.db2.gz COULEEAFGMBIRI-KTIWRFAQSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000564007401 945345726 /nfs/dbraw/zinc/34/57/26/945345726.db2.gz COULEEAFGMBIRI-CWDLOFLHSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000564007401 945345736 /nfs/dbraw/zinc/34/57/36/945345736.db2.gz COULEEAFGMBIRI-CWDLOFLHSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000564007401 945345747 /nfs/dbraw/zinc/34/57/47/945345747.db2.gz COULEEAFGMBIRI-CWDLOFLHSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564007401 945345763 /nfs/dbraw/zinc/34/57/63/945345763.db2.gz COULEEAFGMBIRI-CWDLOFLHSA-N 3 2 406.618 4.184 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)C[NH+](Cc1cccs1)Cc1cccs1)c1ccccc1 ZINC000547786120 941075902 /nfs/dbraw/zinc/07/59/02/941075902.db2.gz MTDACVLPUMGBPS-OAQYLSRUSA-N 2 2 413.612 4.231 20 0 HIADLP CN(C(=O)c1coc(C2CCCCC2)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000547945453 941080027 /nfs/dbraw/zinc/08/00/27/941080027.db2.gz TVVHVUKSNUBEHW-YADHBBJMSA-N 2 2 416.610 4.132 20 0 HIADLP CN(C(=O)c1coc(C2CCCCC2)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000547945453 941080029 /nfs/dbraw/zinc/08/00/29/941080029.db2.gz TVVHVUKSNUBEHW-YADHBBJMSA-N 2 2 416.610 4.132 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000548930501 941130178 /nfs/dbraw/zinc/13/01/78/941130178.db2.gz DFQDQWIVUJLTRO-HXUWFJFHSA-N 2 2 424.570 4.232 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000548930501 941130180 /nfs/dbraw/zinc/13/01/80/941130180.db2.gz DFQDQWIVUJLTRO-HXUWFJFHSA-N 2 2 424.570 4.232 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000549346501 941181755 /nfs/dbraw/zinc/18/17/55/941181755.db2.gz LAAVQDJGSLOPLF-DEOSSOPVSA-N 2 2 402.542 4.267 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000549446483 941190760 /nfs/dbraw/zinc/19/07/60/941190760.db2.gz SUUJZZNNECMEFL-ISHFTEKXSA-N 2 2 401.570 4.074 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000549446483 941190762 /nfs/dbraw/zinc/19/07/62/941190762.db2.gz SUUJZZNNECMEFL-ISHFTEKXSA-N 2 2 401.570 4.074 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1=O ZINC000549446483 941190766 /nfs/dbraw/zinc/19/07/66/941190766.db2.gz SUUJZZNNECMEFL-ISHFTEKXSA-N 2 2 401.570 4.074 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1=O ZINC000549446483 941190769 /nfs/dbraw/zinc/19/07/69/941190769.db2.gz SUUJZZNNECMEFL-ISHFTEKXSA-N 2 2 401.570 4.074 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000549806874 941207903 /nfs/dbraw/zinc/20/79/03/941207903.db2.gz XZKAALFEKMOUHH-QTEQDKRBSA-N 2 2 401.570 4.076 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000549806874 941207904 /nfs/dbraw/zinc/20/79/04/941207904.db2.gz XZKAALFEKMOUHH-QTEQDKRBSA-N 2 2 401.570 4.076 20 0 HIADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000549817696 941208392 /nfs/dbraw/zinc/20/83/92/941208392.db2.gz XIUAEPGLJYLHTJ-XMZVIZOASA-N 2 2 404.517 4.283 20 0 HIADLP CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000549944548 941244376 /nfs/dbraw/zinc/24/43/76/941244376.db2.gz GTYDIHJFDMSNOT-PDGJWGCVSA-N 2 2 424.699 4.029 20 0 HIADLP CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000549944548 941244381 /nfs/dbraw/zinc/24/43/81/941244381.db2.gz GTYDIHJFDMSNOT-PDGJWGCVSA-N 2 2 424.699 4.029 20 0 HIADLP Cc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000550262324 941305100 /nfs/dbraw/zinc/30/51/00/941305100.db2.gz DUXMWIKCVAQFJP-UHFFFAOYSA-N 2 2 400.592 4.147 20 0 HIADLP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccc2c[nH+]cn2c1 ZINC000551315555 941449504 /nfs/dbraw/zinc/44/95/04/941449504.db2.gz JHOZERGKTAMKLG-UHFFFAOYSA-N 2 2 403.313 4.036 20 0 HIADLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000551519853 941493478 /nfs/dbraw/zinc/49/34/78/941493478.db2.gz HIKWILQOAPVURW-AWEZNQCLSA-N 2 2 423.460 4.145 20 0 HIADLP Clc1ccc([C@H]2CCCCC[C@@H]2[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000551811961 941550004 /nfs/dbraw/zinc/55/00/04/941550004.db2.gz ISSKMKXFSGMVJY-RPWUZVMVSA-N 2 2 420.041 4.143 20 0 HIADLP COc1ccc([C@H](Cc2ccncc2)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000552067141 941578543 /nfs/dbraw/zinc/57/85/43/941578543.db2.gz AAAHYABIYQFZJM-VWNXMTODSA-N 2 2 417.557 4.021 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000553004144 941814166 /nfs/dbraw/zinc/81/41/66/941814166.db2.gz KVALWYDJQOINFH-BULFRSBZSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000553004144 941814168 /nfs/dbraw/zinc/81/41/68/941814168.db2.gz KVALWYDJQOINFH-BULFRSBZSA-N 2 2 421.029 4.380 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(Cl)cc1 ZINC000553027005 941819741 /nfs/dbraw/zinc/81/97/41/941819741.db2.gz LEYGOZOGBCFQSB-UWJYYQICSA-N 2 2 416.997 4.491 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(Cl)cc1 ZINC000553027005 941819742 /nfs/dbraw/zinc/81/97/42/941819742.db2.gz LEYGOZOGBCFQSB-UWJYYQICSA-N 2 2 416.997 4.491 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(Cl)cc1 ZINC000553027005 941819744 /nfs/dbraw/zinc/81/97/44/941819744.db2.gz LEYGOZOGBCFQSB-UWJYYQICSA-N 2 2 416.997 4.491 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(Cl)cc1 ZINC000553027005 941819745 /nfs/dbraw/zinc/81/97/45/941819745.db2.gz LEYGOZOGBCFQSB-UWJYYQICSA-N 2 2 416.997 4.491 20 0 HIADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+](C)C ZINC000554441576 942144338 /nfs/dbraw/zinc/14/43/38/942144338.db2.gz YSDGLFRZOPLRLQ-XXBNENTESA-N 2 2 421.545 4.083 20 0 HIADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+](C)C ZINC000554441574 942144409 /nfs/dbraw/zinc/14/44/09/942144409.db2.gz YSDGLFRZOPLRLQ-CVDCTZTESA-N 2 2 421.545 4.083 20 0 HIADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000554680744 942196468 /nfs/dbraw/zinc/19/64/68/942196468.db2.gz KOMAJBPDYMODAK-MRXNPFEDSA-N 2 2 408.468 4.421 20 0 HIADLP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000555003515 942351161 /nfs/dbraw/zinc/35/11/61/942351161.db2.gz ZRMBEQZSNDQXKR-DYVFJYSZSA-N 2 2 400.320 4.240 20 0 HIADLP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)cs1 ZINC000556094362 942804476 /nfs/dbraw/zinc/80/44/76/942804476.db2.gz SKKIMXZIWZQUSS-FYYLOGMGSA-N 3 2 412.647 4.343 20 0 HIADLP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)cs1 ZINC000556094362 942804483 /nfs/dbraw/zinc/80/44/83/942804483.db2.gz SKKIMXZIWZQUSS-FYYLOGMGSA-N 3 2 412.647 4.343 20 0 HIADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000556240625 942825081 /nfs/dbraw/zinc/82/50/81/942825081.db2.gz PAFDIIKPHYTOSZ-WZDPVOGJSA-N 3 2 421.629 4.310 20 0 HIADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000556240625 942825082 /nfs/dbraw/zinc/82/50/82/942825082.db2.gz PAFDIIKPHYTOSZ-WZDPVOGJSA-N 3 2 421.629 4.310 20 0 HIADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000556240625 942825083 /nfs/dbraw/zinc/82/50/83/942825083.db2.gz PAFDIIKPHYTOSZ-WZDPVOGJSA-N 3 2 421.629 4.310 20 0 HIADLP C[NH+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000556240625 942825084 /nfs/dbraw/zinc/82/50/84/942825084.db2.gz PAFDIIKPHYTOSZ-WZDPVOGJSA-N 3 2 421.629 4.310 20 0 HIADLP C[C@H]([NH2+][C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000556241186 942825169 /nfs/dbraw/zinc/82/51/69/942825169.db2.gz QVGOZMAHYQEPQR-BSRJHKFKSA-N 2 2 406.505 4.414 20 0 HIADLP CC[N@H+](CCC1CC[NH+](Cc2noc(-c3ccc(OC)cc3)n2)CC1)CC(C)C ZINC000557317871 943070515 /nfs/dbraw/zinc/07/05/15/943070515.db2.gz RNGFCXMBZLIQAG-UHFFFAOYSA-N 2 2 400.567 4.325 20 0 HIADLP CC[N@@H+](CCC1CC[NH+](Cc2noc(-c3ccc(OC)cc3)n2)CC1)CC(C)C ZINC000557317871 943070526 /nfs/dbraw/zinc/07/05/26/943070526.db2.gz RNGFCXMBZLIQAG-UHFFFAOYSA-N 2 2 400.567 4.325 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000557409550 943109537 /nfs/dbraw/zinc/10/95/37/943109537.db2.gz FYZZNEYVOFMFMD-HSZRJFAPSA-N 2 2 424.976 4.327 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000557409550 943109541 /nfs/dbraw/zinc/10/95/41/943109541.db2.gz FYZZNEYVOFMFMD-HSZRJFAPSA-N 2 2 424.976 4.327 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000559158182 943855270 /nfs/dbraw/zinc/85/52/70/943855270.db2.gz WCGNVZHJZYILMQ-USCONSEESA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000559158182 943855271 /nfs/dbraw/zinc/85/52/71/943855271.db2.gz WCGNVZHJZYILMQ-USCONSEESA-N 2 2 422.564 4.004 20 0 HIADLP C[C@@H]1CCCN1C(=O)CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000559729932 944039501 /nfs/dbraw/zinc/03/95/01/944039501.db2.gz HEGMFVPPPUYCJF-QGZVFWFLSA-N 2 2 411.512 4.003 20 0 HIADLP C[C@@H]1CCCN1C(=O)CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000559729932 944039515 /nfs/dbraw/zinc/03/95/15/944039515.db2.gz HEGMFVPPPUYCJF-QGZVFWFLSA-N 2 2 411.512 4.003 20 0 HIADLP Cc1nc2ccccc2n1C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560198298 944193966 /nfs/dbraw/zinc/19/39/66/944193966.db2.gz LLWKTOFZYYAJML-DEOSSOPVSA-N 2 2 418.585 4.273 20 0 HIADLP Cc1nc2ccccc2n1C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560198298 944193969 /nfs/dbraw/zinc/19/39/69/944193969.db2.gz LLWKTOFZYYAJML-DEOSSOPVSA-N 2 2 418.585 4.273 20 0 HIADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000562054608 944913696 /nfs/dbraw/zinc/91/36/96/944913696.db2.gz QEJZNADJPHAAHV-IBGZPJMESA-N 2 2 408.933 4.054 20 0 HIADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000562054608 944913703 /nfs/dbraw/zinc/91/37/03/944913703.db2.gz QEJZNADJPHAAHV-IBGZPJMESA-N 2 2 408.933 4.054 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000564439664 945588919 /nfs/dbraw/zinc/58/89/19/945588919.db2.gz TWMHSSLOILNNQT-IBGZPJMESA-N 2 2 423.582 4.499 20 0 HIADLP Cc1cc(Br)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1OC(F)F ZINC000565507587 945841960 /nfs/dbraw/zinc/84/19/60/945841960.db2.gz DTLXYYYSWDYLCS-XYPWUTKMSA-N 2 2 403.311 4.416 20 0 HIADLP Cc1cc(Br)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1OC(F)F ZINC000565507587 945841961 /nfs/dbraw/zinc/84/19/61/945841961.db2.gz DTLXYYYSWDYLCS-XYPWUTKMSA-N 2 2 403.311 4.416 20 0 HIADLP Cc1cc(Br)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1OC(F)F ZINC000565507587 945841962 /nfs/dbraw/zinc/84/19/62/945841962.db2.gz DTLXYYYSWDYLCS-XYPWUTKMSA-N 2 2 403.311 4.416 20 0 HIADLP Cc1cc(Br)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1OC(F)F ZINC000565507587 945841964 /nfs/dbraw/zinc/84/19/64/945841964.db2.gz DTLXYYYSWDYLCS-XYPWUTKMSA-N 2 2 403.311 4.416 20 0 HIADLP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccc(F)cc1 ZINC000566523310 946028935 /nfs/dbraw/zinc/02/89/35/946028935.db2.gz NJSDCAXDNIDFBC-KNQAVFIVSA-N 2 2 412.553 4.051 20 0 HIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000566649861 946066124 /nfs/dbraw/zinc/06/61/24/946066124.db2.gz OOOYOYHPNLGMCQ-UHFFFAOYSA-N 2 2 413.363 4.159 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000569055020 946811961 /nfs/dbraw/zinc/81/19/61/946811961.db2.gz WNIFSOSYGQJYNJ-XLIONFOSSA-N 2 2 404.938 4.025 20 0 HIADLP COCCc1cc[nH+]c(NC2CC[NH+](Cc3ccccc3Br)CC2)c1 ZINC000569367258 946861105 /nfs/dbraw/zinc/86/11/05/946861105.db2.gz QQHLCFDZQBJDKF-UHFFFAOYSA-N 2 2 404.352 4.110 20 0 HIADLP CCOc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc(Br)c1O ZINC000569522411 946885567 /nfs/dbraw/zinc/88/55/67/946885567.db2.gz MJNIDBOQQRBKLT-UHFFFAOYSA-N 2 2 416.319 4.088 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000571930215 947814879 /nfs/dbraw/zinc/81/48/79/947814879.db2.gz NNFDBSKWSWPFNT-APWZRJJASA-N 2 2 413.363 4.240 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CC[N@H+]1Cc1ccccc1 ZINC000571930215 947814881 /nfs/dbraw/zinc/81/48/81/947814881.db2.gz NNFDBSKWSWPFNT-APWZRJJASA-N 2 2 413.363 4.240 20 0 HIADLP c1nc(C[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n(-c2ccccc2)n1 ZINC000572144432 947850499 /nfs/dbraw/zinc/85/04/99/947850499.db2.gz QNPPEFBTIJZEOK-QTJGBDASSA-N 2 2 401.558 4.048 20 0 HIADLP c1nc(C[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n(-c2ccccc2)n1 ZINC000572144432 947850500 /nfs/dbraw/zinc/85/05/00/947850500.db2.gz QNPPEFBTIJZEOK-QTJGBDASSA-N 2 2 401.558 4.048 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000572563847 947949642 /nfs/dbraw/zinc/94/96/42/947949642.db2.gz OUJNAEGFPCBWDF-AIZNXBIQSA-N 2 2 408.542 4.109 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000572563847 947949647 /nfs/dbraw/zinc/94/96/47/947949647.db2.gz OUJNAEGFPCBWDF-AIZNXBIQSA-N 2 2 408.542 4.109 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000572563847 947949654 /nfs/dbraw/zinc/94/96/54/947949654.db2.gz OUJNAEGFPCBWDF-AIZNXBIQSA-N 2 2 408.542 4.109 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000572563847 947949664 /nfs/dbraw/zinc/94/96/64/947949664.db2.gz OUJNAEGFPCBWDF-AIZNXBIQSA-N 2 2 408.542 4.109 20 0 HIADLP COc1ccc2c(C)cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)[nH+]c2c1 ZINC001164696681 719895578 /nfs/dbraw/zinc/89/55/78/719895578.db2.gz HCQOZJKBIGJLIW-UHFFFAOYSA-N 2 2 423.582 4.485 20 0 HIADLP COc1ccc2c(C)cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)[nH+]c2c1 ZINC001164696681 719895581 /nfs/dbraw/zinc/89/55/81/719895581.db2.gz HCQOZJKBIGJLIW-UHFFFAOYSA-N 2 2 423.582 4.485 20 0 HIADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c(C)cccc31)CC2 ZINC001164717450 720119292 /nfs/dbraw/zinc/11/92/92/720119292.db2.gz PBKFMCAPVZNHPI-JOCHJYFZSA-N 2 2 416.569 4.446 20 0 HIADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3c(C)cccc31)CC2 ZINC001164717450 720119299 /nfs/dbraw/zinc/11/92/99/720119299.db2.gz PBKFMCAPVZNHPI-JOCHJYFZSA-N 2 2 416.569 4.446 20 0 HIADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c2c(C)cccc12 ZINC001164838536 720513103 /nfs/dbraw/zinc/51/31/03/720513103.db2.gz ROBASVYZJPZOLY-QNWVGRARSA-N 2 2 403.574 4.426 20 0 HIADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c2c(C)cccc12 ZINC001164838536 720513108 /nfs/dbraw/zinc/51/31/08/720513108.db2.gz ROBASVYZJPZOLY-QNWVGRARSA-N 2 2 403.574 4.426 20 0 HIADLP CCOC(=O)c1c(C)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]c1C ZINC001164791974 721497302 /nfs/dbraw/zinc/49/73/02/721497302.db2.gz HTMDQGHADDUKFI-UHFFFAOYSA-N 2 2 422.573 4.151 20 0 HIADLP CCOC(=O)c1c(C)cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]c1C ZINC001164791974 721497304 /nfs/dbraw/zinc/49/73/04/721497304.db2.gz HTMDQGHADDUKFI-UHFFFAOYSA-N 2 2 422.573 4.151 20 0 HIADLP Cc1ccc2c(C)cc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]c2c1C ZINC001164982769 722144031 /nfs/dbraw/zinc/14/40/31/722144031.db2.gz SHXUQSRFTJICBL-LADGPHEKSA-N 2 2 416.569 4.282 20 0 HIADLP Cc1ccc2c(C)cc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]c2c1C ZINC001164982769 722144035 /nfs/dbraw/zinc/14/40/35/722144035.db2.gz SHXUQSRFTJICBL-LADGPHEKSA-N 2 2 416.569 4.282 20 0 HIADLP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000436246916 861556802 /nfs/dbraw/zinc/55/68/02/861556802.db2.gz MTKPDKSMUMODMY-RDTXWAMCSA-N 2 2 400.876 4.265 20 0 HIADLP Cn1ncc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000436246916 861556813 /nfs/dbraw/zinc/55/68/13/861556813.db2.gz MTKPDKSMUMODMY-RDTXWAMCSA-N 2 2 400.876 4.265 20 0 HIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000042226833 848305725 /nfs/dbraw/zinc/30/57/25/848305725.db2.gz IMGMAEBYDWSZBW-UHFFFAOYSA-N 2 2 405.933 4.428 20 0 HIADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750466 849263876 /nfs/dbraw/zinc/26/38/76/849263876.db2.gz FWEUFZDLMQVKFD-QHCPKHFHSA-N 2 2 418.541 4.114 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cn1 ZINC000048782561 849268434 /nfs/dbraw/zinc/26/84/34/849268434.db2.gz TVPNBVTVGMJQDU-UHFFFAOYSA-N 2 2 409.493 4.316 20 0 HIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000054382556 849855612 /nfs/dbraw/zinc/85/56/12/849855612.db2.gz LRZADKCORQDZEV-MJGOQNOKSA-N 2 2 413.591 4.086 20 0 HIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000054382556 849855613 /nfs/dbraw/zinc/85/56/13/849855613.db2.gz LRZADKCORQDZEV-MJGOQNOKSA-N 2 2 413.591 4.086 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1C ZINC000060530782 851136148 /nfs/dbraw/zinc/13/61/48/851136148.db2.gz FKRKMSWEFUJVRM-UHFFFAOYSA-N 2 2 402.583 4.037 20 0 HIADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060630546 851172634 /nfs/dbraw/zinc/17/26/34/851172634.db2.gz IQPJZCLFJWPCPS-JOCHJYFZSA-N 2 2 408.933 4.152 20 0 HIADLP O=C([C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1)N1CCCCC1 ZINC000064609553 851940712 /nfs/dbraw/zinc/94/07/12/851940712.db2.gz FICIBEKGKCEJRL-REWPJTCUSA-N 2 2 411.615 4.304 20 0 HIADLP O=C([C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1)N1CCCCC1 ZINC000064609553 851940718 /nfs/dbraw/zinc/94/07/18/851940718.db2.gz FICIBEKGKCEJRL-REWPJTCUSA-N 2 2 411.615 4.304 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3csc(-c4ccc(F)cc4)n3)cc2)CC1 ZINC000097357257 852604570 /nfs/dbraw/zinc/60/45/70/852604570.db2.gz XLFIUOUKXVPMMO-UHFFFAOYSA-N 2 2 424.589 4.377 20 0 HIADLP CCOc1c(Br)cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000107821460 852801178 /nfs/dbraw/zinc/80/11/78/852801178.db2.gz MJNXWEDZHDXWAN-UHFFFAOYSA-N 2 2 420.351 4.010 20 0 HIADLP COc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1OCc1ccccc1 ZINC000110571958 853120314 /nfs/dbraw/zinc/12/03/14/853120314.db2.gz LXMUXPWDUBHGIA-UHFFFAOYSA-N 2 2 403.526 4.428 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc4c(c3)oc3ccccc34)CC2)CC1 ZINC000215993625 853841282 /nfs/dbraw/zinc/84/12/82/853841282.db2.gz XWBWFGFAPQIQGA-UHFFFAOYSA-N 2 2 406.530 4.266 20 0 HIADLP Cc1ccc(Oc2ccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2)cc1 ZINC000215992778 853841507 /nfs/dbraw/zinc/84/15/07/853841507.db2.gz ZPYHOUULIGIIDR-UHFFFAOYSA-N 2 2 422.573 4.467 20 0 HIADLP Brc1ccc(-c2c[nH]c(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000236624776 853903570 /nfs/dbraw/zinc/90/35/70/853903570.db2.gz CSZJVNXWNZIQMK-UHFFFAOYSA-N 2 2 422.330 4.374 20 0 HIADLP CCOc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1OC(F)F ZINC000236891644 853932969 /nfs/dbraw/zinc/93/29/69/853932969.db2.gz MSABMIBTTKGWBP-UHFFFAOYSA-N 2 2 404.501 4.483 20 0 HIADLP CCOc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc(Br)c1OC(F)F ZINC000236938357 853940493 /nfs/dbraw/zinc/94/04/93/853940493.db2.gz GLGYFXXGSIVGED-GFCCVEGCSA-N 2 2 418.282 4.072 20 0 HIADLP CCOc1ccc(Oc2c(C[NH2+]CCn3cc[nH+]c3)c(C)nn2-c2ccccc2)cc1 ZINC000236975990 853945446 /nfs/dbraw/zinc/94/54/46/853945446.db2.gz BXVSQVIFAYAAAJ-UHFFFAOYSA-N 2 2 417.513 4.358 20 0 HIADLP CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000237039615 853955362 /nfs/dbraw/zinc/95/53/62/853955362.db2.gz WMIJVVSMZLFGAI-DEOSSOPVSA-N 2 2 417.557 4.370 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000237147183 853972693 /nfs/dbraw/zinc/97/26/93/853972693.db2.gz INUIMTDJHMLXAZ-AWEZNQCLSA-N 2 2 416.884 4.180 20 0 HIADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000237571587 854056145 /nfs/dbraw/zinc/05/61/45/854056145.db2.gz SJRRTTFTLLCNLV-CYBMUJFWSA-N 2 2 411.859 4.475 20 0 HIADLP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000237648769 854067814 /nfs/dbraw/zinc/06/78/14/854067814.db2.gz FEWRHKSXXVLLLG-UHFFFAOYSA-N 2 2 405.477 4.489 20 0 HIADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000237914041 854117688 /nfs/dbraw/zinc/11/76/88/854117688.db2.gz DLAIEBZCGCWREU-OAQYLSRUSA-N 2 2 421.532 4.170 20 0 HIADLP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]c3c(Br)cccc23)C1 ZINC000302047855 854521948 /nfs/dbraw/zinc/52/19/48/854521948.db2.gz LUEBDVBCECRIGD-QGZVFWFLSA-N 2 2 412.331 4.176 20 0 HIADLP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c3c(Br)cccc23)C1 ZINC000302047855 854521956 /nfs/dbraw/zinc/52/19/56/854521956.db2.gz LUEBDVBCECRIGD-QGZVFWFLSA-N 2 2 412.331 4.176 20 0 HIADLP CCN1CC[NH+]([C@@H]2CCN(c3cc[nH+]c4ccc(Oc5ccccc5)cc43)C2)CC1 ZINC000302914438 854676911 /nfs/dbraw/zinc/67/69/11/854676911.db2.gz VDWAXQTTXQVFCD-HXUWFJFHSA-N 2 2 402.542 4.243 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303495056 854984234 /nfs/dbraw/zinc/98/42/34/854984234.db2.gz QMYSODQOQSQQHB-IBGZPJMESA-N 2 2 402.542 4.440 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303495056 854984238 /nfs/dbraw/zinc/98/42/38/854984238.db2.gz QMYSODQOQSQQHB-IBGZPJMESA-N 2 2 402.542 4.440 20 0 HIADLP COc1ccc2c(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc2c1 ZINC000303768779 855187056 /nfs/dbraw/zinc/18/70/56/855187056.db2.gz QIULBCLMHVIYLU-RXVVDRJESA-N 2 2 406.526 4.287 20 0 HIADLP COc1ccc2c(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc2c1 ZINC000303768779 855187063 /nfs/dbraw/zinc/18/70/63/855187063.db2.gz QIULBCLMHVIYLU-RXVVDRJESA-N 2 2 406.526 4.287 20 0 HIADLP COc1ccc2c(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc2c1 ZINC000303768779 855187070 /nfs/dbraw/zinc/18/70/70/855187070.db2.gz QIULBCLMHVIYLU-RXVVDRJESA-N 2 2 406.526 4.287 20 0 HIADLP COc1ccc2c(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cc(=O)oc2c1 ZINC000303768779 855187078 /nfs/dbraw/zinc/18/70/78/855187078.db2.gz QIULBCLMHVIYLU-RXVVDRJESA-N 2 2 406.526 4.287 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000303937430 855304404 /nfs/dbraw/zinc/30/44/04/855304404.db2.gz DDHBMXMIAVYSFA-MSOLQXFVSA-N 2 2 424.416 4.163 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657508 855425842 /nfs/dbraw/zinc/42/58/42/855425842.db2.gz TUFYWOLUUXTGGH-JXFKEZNVSA-N 2 2 416.363 4.030 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657508 855425843 /nfs/dbraw/zinc/42/58/43/855425843.db2.gz TUFYWOLUUXTGGH-JXFKEZNVSA-N 2 2 416.363 4.030 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000398003124 855474149 /nfs/dbraw/zinc/47/41/49/855474149.db2.gz XQDUREVMXVSEHN-KXBFYZLASA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000398003124 855474151 /nfs/dbraw/zinc/47/41/51/855474151.db2.gz XQDUREVMXVSEHN-KXBFYZLASA-N 2 2 406.357 4.432 20 0 HIADLP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410288413 855905730 /nfs/dbraw/zinc/90/57/30/855905730.db2.gz ACDMGFYFVRUSPJ-NZQKXSOJSA-N 2 2 424.564 4.119 20 0 HIADLP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410288413 855905738 /nfs/dbraw/zinc/90/57/38/855905738.db2.gz ACDMGFYFVRUSPJ-NZQKXSOJSA-N 2 2 424.564 4.119 20 0 HIADLP C[C@H](CCCC(F)(F)F)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000426078616 856091917 /nfs/dbraw/zinc/09/19/17/856091917.db2.gz JZSYTLMDIGALSS-BHIYHBOVSA-N 2 2 420.564 4.086 20 0 HIADLP C[C@H](CCCC(F)(F)F)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000426078616 856091924 /nfs/dbraw/zinc/09/19/24/856091924.db2.gz JZSYTLMDIGALSS-BHIYHBOVSA-N 2 2 420.564 4.086 20 0 HIADLP CC(C)(C)[N@@H+]1C[C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)[C@H](C(F)(F)F)C1 ZINC000426393334 856271680 /nfs/dbraw/zinc/27/16/80/856271680.db2.gz DALLWJQQLMKCOA-HZPDHXFCSA-N 2 2 405.424 4.299 20 0 HIADLP CC(C)(C)[N@H+]1C[C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)[C@H](C(F)(F)F)C1 ZINC000426393334 856271693 /nfs/dbraw/zinc/27/16/93/856271693.db2.gz DALLWJQQLMKCOA-HZPDHXFCSA-N 2 2 405.424 4.299 20 0 HIADLP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000427563024 856866749 /nfs/dbraw/zinc/86/67/49/856866749.db2.gz KHBZZPYLLMBTFI-FQEVSTJZSA-N 2 2 405.464 4.100 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428076834 857063766 /nfs/dbraw/zinc/06/37/66/857063766.db2.gz NVOFYPOJJNRTLT-SFHVURJKSA-N 2 2 417.479 4.138 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428076834 857063776 /nfs/dbraw/zinc/06/37/76/857063776.db2.gz NVOFYPOJJNRTLT-SFHVURJKSA-N 2 2 417.479 4.138 20 0 HIADLP Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(-c2ccccc2Cl)n1 ZINC000428532359 857245465 /nfs/dbraw/zinc/24/54/65/857245465.db2.gz AZXMQCKKKVKUMN-NRFANRHFSA-N 2 2 424.976 4.121 20 0 HIADLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(-c2ccccc2Cl)n1 ZINC000428532359 857245475 /nfs/dbraw/zinc/24/54/75/857245475.db2.gz AZXMQCKKKVKUMN-NRFANRHFSA-N 2 2 424.976 4.121 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000429225576 857562748 /nfs/dbraw/zinc/56/27/48/857562748.db2.gz GNRQGNDVJFHVNV-UHFFFAOYSA-N 2 2 407.440 4.427 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000429225576 857562756 /nfs/dbraw/zinc/56/27/56/857562756.db2.gz GNRQGNDVJFHVNV-UHFFFAOYSA-N 2 2 407.440 4.427 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000429236001 857567558 /nfs/dbraw/zinc/56/75/58/857567558.db2.gz GWYUBDVUAWRFRW-UHFFFAOYSA-N 2 2 416.875 4.468 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000429236001 857567563 /nfs/dbraw/zinc/56/75/63/857567563.db2.gz GWYUBDVUAWRFRW-UHFFFAOYSA-N 2 2 416.875 4.468 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430118474 858040196 /nfs/dbraw/zinc/04/01/96/858040196.db2.gz FEQLUPZHMLSNCG-OAQYLSRUSA-N 2 2 417.395 4.286 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430118474 858040198 /nfs/dbraw/zinc/04/01/98/858040198.db2.gz FEQLUPZHMLSNCG-OAQYLSRUSA-N 2 2 417.395 4.286 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430118474 858040204 /nfs/dbraw/zinc/04/02/04/858040204.db2.gz FEQLUPZHMLSNCG-OAQYLSRUSA-N 2 2 417.395 4.286 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430118474 858040208 /nfs/dbraw/zinc/04/02/08/858040208.db2.gz FEQLUPZHMLSNCG-OAQYLSRUSA-N 2 2 417.395 4.286 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc2ccccc2n1C(F)F ZINC000430945350 858378422 /nfs/dbraw/zinc/37/84/22/858378422.db2.gz QNYYATCRTVYDHN-UHFFFAOYSA-N 3 2 419.564 4.060 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc2ccccc2n1C(F)F ZINC000430945350 858378433 /nfs/dbraw/zinc/37/84/33/858378433.db2.gz QNYYATCRTVYDHN-UHFFFAOYSA-N 3 2 419.564 4.060 20 0 HIADLP C[C@H]1C[N@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCCO1 ZINC000432422194 859157591 /nfs/dbraw/zinc/15/75/91/859157591.db2.gz SJBDGLNDRVGKOR-PGRDOPGGSA-N 2 2 404.501 4.468 20 0 HIADLP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CCCO1 ZINC000432422194 859157600 /nfs/dbraw/zinc/15/76/00/859157600.db2.gz SJBDGLNDRVGKOR-PGRDOPGGSA-N 2 2 404.501 4.468 20 0 HIADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(COc3cc(C)cc(C)c3)no2)CC1 ZINC000434592463 860417276 /nfs/dbraw/zinc/41/72/76/860417276.db2.gz XAMYCOSRJUVFGM-UHFFFAOYSA-N 2 2 400.567 4.209 20 0 HIADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(COc3cc(C)cc(C)c3)no2)CC1 ZINC000434592463 860417278 /nfs/dbraw/zinc/41/72/78/860417278.db2.gz XAMYCOSRJUVFGM-UHFFFAOYSA-N 2 2 400.567 4.209 20 0 HIADLP CC(C)[C@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000434683407 860458174 /nfs/dbraw/zinc/45/81/74/860458174.db2.gz GJQXTKQPZATQGT-QHCPKHFHSA-N 2 2 412.553 4.051 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)co2)cc1 ZINC000434686205 860460776 /nfs/dbraw/zinc/46/07/76/860460776.db2.gz ULPNEFFWCRWRDE-UHFFFAOYSA-N 2 2 420.513 4.041 20 0 HIADLP C[C@H]1CCN(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccccc2S1 ZINC000434690249 860462844 /nfs/dbraw/zinc/46/28/44/860462844.db2.gz FPZRDCCJCRASIZ-SFHVURJKSA-N 2 2 424.614 4.316 20 0 HIADLP CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000435136412 860658469 /nfs/dbraw/zinc/65/84/69/860658469.db2.gz BQYASMZMQQZQKJ-UHFFFAOYSA-N 2 2 408.550 4.382 20 0 HIADLP CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000435136412 860658472 /nfs/dbraw/zinc/65/84/72/860658472.db2.gz BQYASMZMQQZQKJ-UHFFFAOYSA-N 2 2 408.550 4.382 20 0 HIADLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000435768595 861045059 /nfs/dbraw/zinc/04/50/59/861045059.db2.gz FCKMBPNUYVKPMI-LJQANCHMSA-N 2 2 405.612 4.048 20 0 HIADLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000435768595 861045069 /nfs/dbraw/zinc/04/50/69/861045069.db2.gz FCKMBPNUYVKPMI-LJQANCHMSA-N 2 2 405.612 4.048 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000438096111 863502093 /nfs/dbraw/zinc/50/20/93/863502093.db2.gz QOFQRGMFYSPRJM-UHFFFAOYSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(Br)c1 ZINC000467847166 881693073 /nfs/dbraw/zinc/69/30/73/881693073.db2.gz VOEHFIQUBDRYNA-QGZVFWFLSA-N 2 2 419.363 4.011 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000438477547 863895012 /nfs/dbraw/zinc/89/50/12/863895012.db2.gz METMGGBLRHOTIO-IBGZPJMESA-N 2 2 413.319 4.294 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000438477547 863895041 /nfs/dbraw/zinc/89/50/41/863895041.db2.gz METMGGBLRHOTIO-IBGZPJMESA-N 2 2 413.319 4.294 20 0 HIADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000438828291 864322729 /nfs/dbraw/zinc/32/27/29/864322729.db2.gz GDICICTTXPOSJR-UHFFFAOYSA-N 3 2 407.602 4.052 20 0 HIADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000438828291 864322746 /nfs/dbraw/zinc/32/27/46/864322746.db2.gz GDICICTTXPOSJR-UHFFFAOYSA-N 3 2 407.602 4.052 20 0 HIADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000438999961 864455363 /nfs/dbraw/zinc/45/53/63/864455363.db2.gz MVOILEKGPUUURG-JIGPKXGUSA-N 2 2 401.576 4.449 20 0 HIADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000438999961 864455368 /nfs/dbraw/zinc/45/53/68/864455368.db2.gz MVOILEKGPUUURG-JIGPKXGUSA-N 2 2 401.576 4.449 20 0 HIADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441376427 866444554 /nfs/dbraw/zinc/44/45/54/866444554.db2.gz KEOARWROEWVGAM-FDDCHVKYSA-N 2 2 404.514 4.061 20 0 HIADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394610 866468441 /nfs/dbraw/zinc/46/84/41/866468441.db2.gz LLWAYVGYRXNPMM-UVFQYZLESA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394610 866468450 /nfs/dbraw/zinc/46/84/50/866468450.db2.gz LLWAYVGYRXNPMM-UVFQYZLESA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394610 866468456 /nfs/dbraw/zinc/46/84/56/866468456.db2.gz LLWAYVGYRXNPMM-UVFQYZLESA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000441394610 866468466 /nfs/dbraw/zinc/46/84/66/866468466.db2.gz LLWAYVGYRXNPMM-UVFQYZLESA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398853 866473398 /nfs/dbraw/zinc/47/33/98/866473398.db2.gz CYBHKFLHUHLNAR-DDLLOKISSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398853 866473409 /nfs/dbraw/zinc/47/34/09/866473409.db2.gz CYBHKFLHUHLNAR-DDLLOKISSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398853 866473427 /nfs/dbraw/zinc/47/34/27/866473427.db2.gz CYBHKFLHUHLNAR-DDLLOKISSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398853 866473438 /nfs/dbraw/zinc/47/34/38/866473438.db2.gz CYBHKFLHUHLNAR-DDLLOKISSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398858 866474008 /nfs/dbraw/zinc/47/40/08/866474008.db2.gz CYBHKFLHUHLNAR-SLXNBQQMSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398858 866474044 /nfs/dbraw/zinc/47/40/44/866474044.db2.gz CYBHKFLHUHLNAR-SLXNBQQMSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398858 866474049 /nfs/dbraw/zinc/47/40/49/866474049.db2.gz CYBHKFLHUHLNAR-SLXNBQQMSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398858 866474055 /nfs/dbraw/zinc/47/40/55/866474055.db2.gz CYBHKFLHUHLNAR-SLXNBQQMSA-N 2 2 405.586 4.354 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416691 866491652 /nfs/dbraw/zinc/49/16/52/866491652.db2.gz DSXCRKXGSRHXDK-XRODADMRSA-N 2 2 413.581 4.122 20 0 HIADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416691 866491665 /nfs/dbraw/zinc/49/16/65/866491665.db2.gz DSXCRKXGSRHXDK-XRODADMRSA-N 2 2 413.581 4.122 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416691 866491675 /nfs/dbraw/zinc/49/16/75/866491675.db2.gz DSXCRKXGSRHXDK-XRODADMRSA-N 2 2 413.581 4.122 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416691 866491690 /nfs/dbraw/zinc/49/16/90/866491690.db2.gz DSXCRKXGSRHXDK-XRODADMRSA-N 2 2 413.581 4.122 20 0 HIADLP CN(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416671 866492234 /nfs/dbraw/zinc/49/22/34/866492234.db2.gz PLPQTOPIVRQLBH-ZCYQVOJMSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416671 866492252 /nfs/dbraw/zinc/49/22/52/866492252.db2.gz PLPQTOPIVRQLBH-ZCYQVOJMSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416671 866492258 /nfs/dbraw/zinc/49/22/58/866492258.db2.gz PLPQTOPIVRQLBH-ZCYQVOJMSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416671 866492268 /nfs/dbraw/zinc/49/22/68/866492268.db2.gz PLPQTOPIVRQLBH-ZCYQVOJMSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)Nc1nc(C2CCC2)cs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000442039351 867080250 /nfs/dbraw/zinc/08/02/50/867080250.db2.gz AWXUOOMFWWURBC-UXHICEINSA-N 2 2 419.639 4.212 20 0 HIADLP CN(C(=O)Nc1nc(C2CCC2)cs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000442039351 867080268 /nfs/dbraw/zinc/08/02/68/867080268.db2.gz AWXUOOMFWWURBC-UXHICEINSA-N 2 2 419.639 4.212 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000444341706 868769838 /nfs/dbraw/zinc/76/98/38/868769838.db2.gz KDDBCOKVWMJJEJ-XMSQKQJNSA-N 2 2 421.545 4.361 20 0 HIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000444663727 868942373 /nfs/dbraw/zinc/94/23/73/868942373.db2.gz LBORUBQPTVDZOW-FQEVSTJZSA-N 2 2 400.485 4.145 20 0 HIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000444663727 868942380 /nfs/dbraw/zinc/94/23/80/868942380.db2.gz LBORUBQPTVDZOW-FQEVSTJZSA-N 2 2 400.485 4.145 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000444790723 869009156 /nfs/dbraw/zinc/00/91/56/869009156.db2.gz JHFGXTAZBXLTRP-UNMCSNQZSA-N 2 2 408.590 4.261 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000444790723 869009171 /nfs/dbraw/zinc/00/91/71/869009171.db2.gz JHFGXTAZBXLTRP-UNMCSNQZSA-N 2 2 408.590 4.261 20 0 HIADLP Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000444969879 869133571 /nfs/dbraw/zinc/13/35/71/869133571.db2.gz UDSVQGIBNWQJHD-XZOQPEGZSA-N 2 2 411.594 4.277 20 0 HIADLP Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000444969879 869133572 /nfs/dbraw/zinc/13/35/72/869133572.db2.gz UDSVQGIBNWQJHD-XZOQPEGZSA-N 2 2 411.594 4.277 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000468377627 882320520 /nfs/dbraw/zinc/32/05/20/882320520.db2.gz BBCVZHRNNOIIHW-NRFANRHFSA-N 2 2 422.598 4.374 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000468377627 882320543 /nfs/dbraw/zinc/32/05/43/882320543.db2.gz BBCVZHRNNOIIHW-NRFANRHFSA-N 2 2 422.598 4.374 20 0 HIADLP FC(F)(F)C1CCC(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000468412408 882355433 /nfs/dbraw/zinc/35/54/33/882355433.db2.gz NWTHZQJVMKQDFG-NYLDSWQDSA-N 2 2 424.555 4.284 20 0 HIADLP FC(F)(F)C1CCC(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000468412408 882355454 /nfs/dbraw/zinc/35/54/54/882355454.db2.gz NWTHZQJVMKQDFG-NYLDSWQDSA-N 2 2 424.555 4.284 20 0 HIADLP CSc1nnc(CCC[NH2+][C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)n1CC(C)C ZINC000468428955 882372217 /nfs/dbraw/zinc/37/22/17/882372217.db2.gz LHGKVHZKJYVTGL-CTNGQTDRSA-N 2 2 415.651 4.089 20 0 HIADLP CSc1nnc(CCC[NH2+][C@H]2C[C@@H](C)C[N@@H+](Cc3ccccc3)C2)n1CC(C)C ZINC000468428955 882372237 /nfs/dbraw/zinc/37/22/37/882372237.db2.gz LHGKVHZKJYVTGL-CTNGQTDRSA-N 2 2 415.651 4.089 20 0 HIADLP CSc1nnc(CCC[NH2+][C@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)n1CC(C)C ZINC000468428956 882372742 /nfs/dbraw/zinc/37/27/42/882372742.db2.gz LHGKVHZKJYVTGL-FPOVZHCZSA-N 2 2 415.651 4.089 20 0 HIADLP CSc1nnc(CCC[NH2+][C@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)n1CC(C)C ZINC000468428956 882372760 /nfs/dbraw/zinc/37/27/60/882372760.db2.gz LHGKVHZKJYVTGL-FPOVZHCZSA-N 2 2 415.651 4.089 20 0 HIADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)CC1 ZINC000446756258 870667825 /nfs/dbraw/zinc/66/78/25/870667825.db2.gz GFALQJUNECCSCJ-GOSISDBHSA-N 2 2 401.776 4.254 20 0 HIADLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)ccc1OCc1ccncc1 ZINC000447078248 870965948 /nfs/dbraw/zinc/96/59/48/870965948.db2.gz NXPPQHDOWZPEGU-UHFFFAOYSA-N 2 2 419.525 4.416 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000460350113 872969729 /nfs/dbraw/zinc/96/97/29/872969729.db2.gz URNJLDWZVNOTQL-HOTGVXAUSA-N 2 2 403.929 4.164 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000460496431 873182153 /nfs/dbraw/zinc/18/21/53/873182153.db2.gz YZTQNXGJAOJZQR-RTBURBONSA-N 2 2 424.416 4.163 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1nnnn1C1CCCCC1 ZINC000468895494 882941897 /nfs/dbraw/zinc/94/18/97/882941897.db2.gz GORGSPPSCXUFIG-GOSISDBHSA-N 2 2 408.550 4.254 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1nnnn1C1CCCCC1 ZINC000468895494 882941935 /nfs/dbraw/zinc/94/19/35/882941935.db2.gz GORGSPPSCXUFIG-GOSISDBHSA-N 2 2 408.550 4.254 20 0 HIADLP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000462775268 875833241 /nfs/dbraw/zinc/83/32/41/875833241.db2.gz FQXKYUUKMUEFJM-KRWDZBQOSA-N 2 2 401.378 4.322 20 0 HIADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)CC2)cc1 ZINC000463113604 876153464 /nfs/dbraw/zinc/15/34/64/876153464.db2.gz ZMHDDDRJTRFFQQ-OAQYLSRUSA-N 3 2 415.622 4.396 20 0 HIADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)cc1 ZINC000463113604 876153477 /nfs/dbraw/zinc/15/34/77/876153477.db2.gz ZMHDDDRJTRFFQQ-OAQYLSRUSA-N 3 2 415.622 4.396 20 0 HIADLP COc1cccc([C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N2CCCC2)c1 ZINC000463140579 876192081 /nfs/dbraw/zinc/19/20/81/876192081.db2.gz LOXCOOHPMXZQJE-SANMLTNESA-N 2 2 407.602 4.129 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N2CCCC2)cc1 ZINC000463141811 876193552 /nfs/dbraw/zinc/19/35/52/876193552.db2.gz ZZYKNXURAATERF-DSBYRVASSA-N 2 2 407.602 4.475 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N2CCCC2)cc1 ZINC000463141811 876193558 /nfs/dbraw/zinc/19/35/58/876193558.db2.gz ZZYKNXURAATERF-DSBYRVASSA-N 2 2 407.602 4.475 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463203657 876263733 /nfs/dbraw/zinc/26/37/33/876263733.db2.gz GSAWFHRPAKSCIQ-OOWSSMPZSA-N 3 2 405.630 4.440 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000463203657 876263749 /nfs/dbraw/zinc/26/37/49/876263749.db2.gz GSAWFHRPAKSCIQ-OOWSSMPZSA-N 3 2 405.630 4.440 20 0 HIADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)CCO1 ZINC000463304248 876364733 /nfs/dbraw/zinc/36/47/33/876364733.db2.gz VHMHWWXCJUXDFL-JUNVXYPSSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)CCO1 ZINC000463304248 876364743 /nfs/dbraw/zinc/36/47/43/876364743.db2.gz VHMHWWXCJUXDFL-JUNVXYPSSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@H]1C[NH+](Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)CCO1 ZINC000463304248 876364758 /nfs/dbraw/zinc/36/47/58/876364758.db2.gz VHMHWWXCJUXDFL-JUNVXYPSSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@H]1C[NH+](Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)CCO1 ZINC000463304248 876364769 /nfs/dbraw/zinc/36/47/69/876364769.db2.gz VHMHWWXCJUXDFL-JUNVXYPSSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000463312212 876370854 /nfs/dbraw/zinc/37/08/54/876370854.db2.gz ZWQWBSNDQYMAMB-KPQWGBOZSA-N 2 2 418.651 4.179 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)c2C)cc1 ZINC000463740864 876861949 /nfs/dbraw/zinc/86/19/49/876861949.db2.gz WNDYWAHDZKRXFI-UHFFFAOYSA-N 2 2 415.541 4.091 20 0 HIADLP CC[N@H+](CCC(=O)Nc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810048 878060832 /nfs/dbraw/zinc/06/08/32/878060832.db2.gz NYOXKPIVRQWOMB-UHFFFAOYSA-N 2 2 400.954 4.302 20 0 HIADLP CC[N@@H+](CCC(=O)Nc1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810048 878060851 /nfs/dbraw/zinc/06/08/51/878060851.db2.gz NYOXKPIVRQWOMB-UHFFFAOYSA-N 2 2 400.954 4.302 20 0 HIADLP CC[N@H+](C[C@H](O)COc1cccc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811091 878062251 /nfs/dbraw/zinc/06/22/51/878062251.db2.gz QKGHDVOWGRWCOR-QHCPKHFHSA-N 2 2 419.569 4.213 20 0 HIADLP CC[N@@H+](C[C@H](O)COc1cccc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811091 878062267 /nfs/dbraw/zinc/06/22/67/878062267.db2.gz QKGHDVOWGRWCOR-QHCPKHFHSA-N 2 2 419.569 4.213 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000464832077 878086387 /nfs/dbraw/zinc/08/63/87/878086387.db2.gz LUYYFJTZGVIYSS-IRFCIJBXSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000464832077 878086413 /nfs/dbraw/zinc/08/64/13/878086413.db2.gz LUYYFJTZGVIYSS-IRFCIJBXSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000464832077 878086437 /nfs/dbraw/zinc/08/64/37/878086437.db2.gz LUYYFJTZGVIYSS-IRFCIJBXSA-N 2 2 413.993 4.360 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000464832077 878086465 /nfs/dbraw/zinc/08/64/65/878086465.db2.gz LUYYFJTZGVIYSS-IRFCIJBXSA-N 2 2 413.993 4.360 20 0 HIADLP C[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464830670 878088169 /nfs/dbraw/zinc/08/81/69/878088169.db2.gz JHMQLZCUMMOIOH-DEOSSOPVSA-N 2 2 407.602 4.268 20 0 HIADLP C[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464830670 878088196 /nfs/dbraw/zinc/08/81/96/878088196.db2.gz JHMQLZCUMMOIOH-DEOSSOPVSA-N 2 2 407.602 4.268 20 0 HIADLP C[NH+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464830670 878088215 /nfs/dbraw/zinc/08/82/15/878088215.db2.gz JHMQLZCUMMOIOH-DEOSSOPVSA-N 2 2 407.602 4.268 20 0 HIADLP C[NH+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464830670 878088232 /nfs/dbraw/zinc/08/82/32/878088232.db2.gz JHMQLZCUMMOIOH-DEOSSOPVSA-N 2 2 407.602 4.268 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H](c2ccco2)C1 ZINC000464850153 878126156 /nfs/dbraw/zinc/12/61/56/878126156.db2.gz LTSDKVJXFRECHC-RXVVDRJESA-N 2 2 413.587 4.240 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H](c2ccco2)C1 ZINC000464850153 878126168 /nfs/dbraw/zinc/12/61/68/878126168.db2.gz LTSDKVJXFRECHC-RXVVDRJESA-N 2 2 413.587 4.240 20 0 HIADLP CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503370771 912347915 /nfs/dbraw/zinc/34/79/15/912347915.db2.gz RKVUEXNYGBMCMM-GOSISDBHSA-N 2 2 407.518 4.048 20 0 HIADLP CCOc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503370771 912347935 /nfs/dbraw/zinc/34/79/35/912347935.db2.gz RKVUEXNYGBMCMM-GOSISDBHSA-N 2 2 407.518 4.048 20 0 HIADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503375219 912358116 /nfs/dbraw/zinc/35/81/16/912358116.db2.gz KLERLACVVFZCBL-NWSQWKLXSA-N 2 2 408.590 4.445 20 0 HIADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000503375219 912358134 /nfs/dbraw/zinc/35/81/34/912358134.db2.gz KLERLACVVFZCBL-NWSQWKLXSA-N 2 2 408.590 4.445 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437813 912448435 /nfs/dbraw/zinc/44/84/35/912448435.db2.gz YGQKSSYHEZWABN-WSTZPKSXSA-N 2 2 412.603 4.213 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437813 912448450 /nfs/dbraw/zinc/44/84/50/912448450.db2.gz YGQKSSYHEZWABN-WSTZPKSXSA-N 2 2 412.603 4.213 20 0 HIADLP C[NH+]1CCC(CNC(=O)N2CCCCC[C@@H]2c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000466134578 879847093 /nfs/dbraw/zinc/84/70/93/879847093.db2.gz AKQHLCRTKSJMOM-HSZRJFAPSA-N 2 2 412.622 4.264 20 0 HIADLP CC(C)N(Cc1cccc(Cl)c1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466143776 879853894 /nfs/dbraw/zinc/85/38/94/879853894.db2.gz KWEAPHWRKMHEBD-UHFFFAOYSA-N 2 2 421.029 4.210 20 0 HIADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000466157376 879861693 /nfs/dbraw/zinc/86/16/93/879861693.db2.gz MGPHFLHJERUJAE-NRFANRHFSA-N 2 2 419.013 4.137 20 0 HIADLP CC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000466966136 880760607 /nfs/dbraw/zinc/76/06/07/880760607.db2.gz FYDYFAGHWVBTSL-UHFFFAOYSA-N 2 2 410.953 4.054 20 0 HIADLP CC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000466966136 880760649 /nfs/dbraw/zinc/76/06/49/880760649.db2.gz FYDYFAGHWVBTSL-UHFFFAOYSA-N 2 2 410.953 4.054 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000467149677 880888058 /nfs/dbraw/zinc/88/80/58/880888058.db2.gz PZEVSXDERNGMMZ-QFIPXVFZSA-N 2 2 408.933 4.148 20 0 HIADLP C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000469726812 883887951 /nfs/dbraw/zinc/88/79/51/883887951.db2.gz CJJQSIPYGXVJFA-FQEVSTJZSA-N 2 2 408.594 4.227 20 0 HIADLP C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000469726812 883887953 /nfs/dbraw/zinc/88/79/53/883887953.db2.gz CJJQSIPYGXVJFA-FQEVSTJZSA-N 2 2 408.594 4.227 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000469751569 883911402 /nfs/dbraw/zinc/91/14/02/883911402.db2.gz IXLNVPLIAXINOR-YKSBVNFPSA-N 2 2 423.605 4.440 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000469751569 883911424 /nfs/dbraw/zinc/91/14/24/883911424.db2.gz IXLNVPLIAXINOR-YKSBVNFPSA-N 2 2 423.605 4.440 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000469759261 883925167 /nfs/dbraw/zinc/92/51/67/883925167.db2.gz XNFKQOIZVVMVDG-OFNKIYASSA-N 2 2 409.578 4.052 20 0 HIADLP C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469764663 883933511 /nfs/dbraw/zinc/93/35/11/883933511.db2.gz QKOVLUVTUYTHKG-REWPJTCUSA-N 2 2 409.578 4.052 20 0 HIADLP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469767115 883937293 /nfs/dbraw/zinc/93/72/93/883937293.db2.gz YJVGQEQWLJLERH-BEFAXECRSA-N 2 2 414.431 4.347 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469859395 884046014 /nfs/dbraw/zinc/04/60/14/884046014.db2.gz OVYYURGSKSDPSZ-XARGGIHNSA-N 2 2 423.605 4.154 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)C1 ZINC000469859395 884046027 /nfs/dbraw/zinc/04/60/27/884046027.db2.gz OVYYURGSKSDPSZ-XARGGIHNSA-N 2 2 423.605 4.154 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000469862889 884050867 /nfs/dbraw/zinc/05/08/67/884050867.db2.gz NYSUEHYQLFSTHW-QTEQDKRBSA-N 2 2 409.578 4.050 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000469862889 884050882 /nfs/dbraw/zinc/05/08/82/884050882.db2.gz NYSUEHYQLFSTHW-QTEQDKRBSA-N 2 2 409.578 4.050 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000469946994 884145542 /nfs/dbraw/zinc/14/55/42/884145542.db2.gz GXDJCDCPLSFRPZ-OAQYLSRUSA-N 2 2 410.606 4.027 20 0 HIADLP COc1ccc(C[C@H](C)CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1F ZINC000470250592 884584227 /nfs/dbraw/zinc/58/42/27/884584227.db2.gz NMJIKJDJJVMRSH-KRWDZBQOSA-N 2 2 400.542 4.050 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471183842 885750501 /nfs/dbraw/zinc/75/05/01/885750501.db2.gz UYMPPXGRCVAOSQ-AZUAARDMSA-N 2 2 404.514 4.195 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471183842 885750516 /nfs/dbraw/zinc/75/05/16/885750516.db2.gz UYMPPXGRCVAOSQ-AZUAARDMSA-N 2 2 404.514 4.195 20 0 HIADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H]1c1ccccc1 ZINC000471939710 886737989 /nfs/dbraw/zinc/73/79/89/886737989.db2.gz LLVKDODHTBBJHE-ISKFKSNPSA-N 2 2 413.525 4.169 20 0 HIADLP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@H]1c1ccccc1 ZINC000471939710 886737998 /nfs/dbraw/zinc/73/79/98/886737998.db2.gz LLVKDODHTBBJHE-ISKFKSNPSA-N 2 2 413.525 4.169 20 0 HIADLP c1csc([C@@H]2C[NH+](CCCCC[N@@H+]3CCO[C@H](c4cccs4)C3)CCO2)c1 ZINC000472826052 887672495 /nfs/dbraw/zinc/67/24/95/887672495.db2.gz GCYOHLSJTDEIFB-OALUTQOASA-N 2 2 406.617 4.427 20 0 HIADLP c1csc([C@@H]2C[NH+](CCCCC[N@H+]3CCO[C@H](c4cccs4)C3)CCO2)c1 ZINC000472826052 887672503 /nfs/dbraw/zinc/67/25/03/887672503.db2.gz GCYOHLSJTDEIFB-OALUTQOASA-N 2 2 406.617 4.427 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000473500959 888225221 /nfs/dbraw/zinc/22/52/21/888225221.db2.gz ZOQGBMQBTUOOMK-AREMUKBSSA-N 2 2 414.553 4.309 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000473500959 888225246 /nfs/dbraw/zinc/22/52/46/888225246.db2.gz ZOQGBMQBTUOOMK-AREMUKBSSA-N 2 2 414.553 4.309 20 0 HIADLP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473945229 888821852 /nfs/dbraw/zinc/82/18/52/888821852.db2.gz OKAALGTWSHBQAN-REWPJTCUSA-N 2 2 417.557 4.239 20 0 HIADLP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473945229 888821855 /nfs/dbraw/zinc/82/18/55/888821855.db2.gz OKAALGTWSHBQAN-REWPJTCUSA-N 2 2 417.557 4.239 20 0 HIADLP O=C1[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1c1ccc(Cl)cc1Cl ZINC000474007512 888864897 /nfs/dbraw/zinc/86/48/97/888864897.db2.gz JBYALIPWCXHLDV-INIZCTEOSA-N 2 2 407.326 4.136 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474109868 888930521 /nfs/dbraw/zinc/93/05/21/888930521.db2.gz JBBVYYZISAQJJW-OZOXKJRCSA-N 2 2 419.400 4.467 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474109868 888930538 /nfs/dbraw/zinc/93/05/38/888930538.db2.gz JBBVYYZISAQJJW-OZOXKJRCSA-N 2 2 419.400 4.467 20 0 HIADLP COc1ccc2nc(C[NH2+]Cc3ccccc3C[NH+]3C[C@H](C)O[C@@H](C)C3)sc2c1 ZINC000474368050 889246101 /nfs/dbraw/zinc/24/61/01/889246101.db2.gz IZXDOVQQMOURTJ-IRXDYDNUSA-N 2 2 411.571 4.204 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc1)C2 ZINC000474897282 889757022 /nfs/dbraw/zinc/75/70/22/889757022.db2.gz CGGSCDCAWUTVKZ-WOIUINJBSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc1)CC2 ZINC000474897282 889757029 /nfs/dbraw/zinc/75/70/29/889757029.db2.gz CGGSCDCAWUTVKZ-WOIUINJBSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc1)C2 ZINC000474897283 889757641 /nfs/dbraw/zinc/75/76/41/889757641.db2.gz CGGSCDCAWUTVKZ-XQBPLPMBSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc1)C2 ZINC000474897283 889757650 /nfs/dbraw/zinc/75/76/50/889757650.db2.gz CGGSCDCAWUTVKZ-XQBPLPMBSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc1)CC2 ZINC000474897283 889757659 /nfs/dbraw/zinc/75/76/59/889757659.db2.gz CGGSCDCAWUTVKZ-XQBPLPMBSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc1)CC2 ZINC000474897283 889757666 /nfs/dbraw/zinc/75/76/66/889757666.db2.gz CGGSCDCAWUTVKZ-XQBPLPMBSA-N 2 2 422.617 4.432 20 0 HIADLP Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1OCC[NH+]1CCCC1 ZINC000476089981 891013301 /nfs/dbraw/zinc/01/33/01/891013301.db2.gz IRCMOIHINFCOFF-GOSISDBHSA-N 2 2 410.562 4.060 20 0 HIADLP Cc1cc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1OCC[NH+]1CCCC1 ZINC000476089981 891013319 /nfs/dbraw/zinc/01/33/19/891013319.db2.gz IRCMOIHINFCOFF-GOSISDBHSA-N 2 2 410.562 4.060 20 0 HIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000477937778 893028602 /nfs/dbraw/zinc/02/86/02/893028602.db2.gz NDWCOTACWCIQOB-NVQXNPDNSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000477937778 893028623 /nfs/dbraw/zinc/02/86/23/893028623.db2.gz NDWCOTACWCIQOB-NVQXNPDNSA-N 3 2 406.618 4.314 20 0 HIADLP CC(C)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(F)ccc1F ZINC000479067737 894330334 /nfs/dbraw/zinc/33/03/34/894330334.db2.gz NCUXBUQQCUTUOV-QHCPKHFHSA-N 2 2 404.501 4.163 20 0 HIADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000479498439 894815757 /nfs/dbraw/zinc/81/57/57/894815757.db2.gz MKMKRWHHTDBXIV-JAGHRAMZSA-N 2 2 424.511 4.426 20 0 HIADLP COc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000480087612 895448991 /nfs/dbraw/zinc/44/89/91/895448991.db2.gz GZIMRFYQGVHRKL-BYXVTNLJSA-N 2 2 422.617 4.117 20 0 HIADLP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000480087612 895449011 /nfs/dbraw/zinc/44/90/11/895449011.db2.gz GZIMRFYQGVHRKL-BYXVTNLJSA-N 2 2 422.617 4.117 20 0 HIADLP Brc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCn2cc[nH+]c2)CCC3)cc1 ZINC000480088729 895451569 /nfs/dbraw/zinc/45/15/69/895451569.db2.gz YOIUZCOBKZJRDG-HNNXBMFYSA-N 2 2 403.349 4.436 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000480531224 895893112 /nfs/dbraw/zinc/89/31/12/895893112.db2.gz SNAIVNLJXABIRK-LJQANCHMSA-N 2 2 405.546 4.355 20 0 HIADLP Cc1c([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)nnn1-c1cccc(Cl)c1 ZINC000480547320 895907388 /nfs/dbraw/zinc/90/73/88/895907388.db2.gz CBEVDLYACWLZFD-QGZVFWFLSA-N 2 2 420.948 4.367 20 0 HIADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000480770205 896134256 /nfs/dbraw/zinc/13/42/56/896134256.db2.gz OAMDBUPEXMTIOM-IBGZPJMESA-N 2 2 415.541 4.339 20 0 HIADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000480770206 896134728 /nfs/dbraw/zinc/13/47/28/896134728.db2.gz OAMDBUPEXMTIOM-LJQANCHMSA-N 2 2 415.541 4.339 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480772306 896136583 /nfs/dbraw/zinc/13/65/83/896136583.db2.gz UJIPMXLRASOQQY-CTUHWIOQSA-N 2 2 413.009 4.372 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480772306 896136600 /nfs/dbraw/zinc/13/66/00/896136600.db2.gz UJIPMXLRASOQQY-CTUHWIOQSA-N 2 2 413.009 4.372 20 0 HIADLP O[C@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)C[N@@H+]1CCc2ccccc2C1 ZINC000480788983 896156027 /nfs/dbraw/zinc/15/60/27/896156027.db2.gz SBRSTBIJANOQNV-YADHBBJMSA-N 2 2 419.594 4.196 20 0 HIADLP O[C@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)C[N@H+]1CCc2ccccc2C1 ZINC000480788983 896156036 /nfs/dbraw/zinc/15/60/36/896156036.db2.gz SBRSTBIJANOQNV-YADHBBJMSA-N 2 2 419.594 4.196 20 0 HIADLP CC[NH+](CC)[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)Cc1ccccc1 ZINC000480791140 896158254 /nfs/dbraw/zinc/15/82/54/896158254.db2.gz ZOOLRAUMGUSSAD-HCYSDIRSSA-N 2 2 405.586 4.362 20 0 HIADLP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481176364 896512567 /nfs/dbraw/zinc/51/25/67/896512567.db2.gz RISXEARRJIRURC-YLJYHZDGSA-N 2 2 415.965 4.096 20 0 HIADLP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481176364 896512585 /nfs/dbraw/zinc/51/25/85/896512585.db2.gz RISXEARRJIRURC-YLJYHZDGSA-N 2 2 415.965 4.096 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000481181921 896525567 /nfs/dbraw/zinc/52/55/67/896525567.db2.gz ABMZXEHBLXOBNE-DNVCBOLYSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000481181921 896525579 /nfs/dbraw/zinc/52/55/79/896525579.db2.gz ABMZXEHBLXOBNE-DNVCBOLYSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1OC(F)(F)F ZINC000481188763 896535108 /nfs/dbraw/zinc/53/51/08/896535108.db2.gz HPHFTDMKZUOOLP-KRWDZBQOSA-N 2 2 424.463 4.147 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(F)cc1Cl ZINC000481190031 896538284 /nfs/dbraw/zinc/53/82/84/896538284.db2.gz OBWTVIUAHYOZRC-FTRWYGJKSA-N 2 2 403.929 4.306 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(F)cc1Cl ZINC000481190031 896538295 /nfs/dbraw/zinc/53/82/95/896538295.db2.gz OBWTVIUAHYOZRC-FTRWYGJKSA-N 2 2 403.929 4.306 20 0 HIADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(Cl)ccc1OC ZINC000481192819 896545479 /nfs/dbraw/zinc/54/54/79/896545479.db2.gz QZJNGTYRGLGCIX-NRFANRHFSA-N 2 2 418.965 4.301 20 0 HIADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000481217071 896570146 /nfs/dbraw/zinc/57/01/46/896570146.db2.gz DIGLNXARFVTFSA-NRFANRHFSA-N 2 2 416.997 4.372 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000481306899 896652836 /nfs/dbraw/zinc/65/28/36/896652836.db2.gz BXFQYQIBBMTREV-KRWDZBQOSA-N 2 2 408.571 4.197 20 0 HIADLP COc1cc(OC)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000481328211 896685662 /nfs/dbraw/zinc/68/56/62/896685662.db2.gz QRRYOGSKRNWIBY-INIZCTEOSA-N 2 2 404.938 4.040 20 0 HIADLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(Cl)ccc1OC ZINC000481398250 896804667 /nfs/dbraw/zinc/80/46/67/896804667.db2.gz DERWVBZLDPSRRO-JOCHJYFZSA-N 2 2 418.965 4.301 20 0 HIADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000481408789 896814000 /nfs/dbraw/zinc/81/40/00/896814000.db2.gz UWWXSWGDPKIMQF-GOSISDBHSA-N 2 2 420.500 4.158 20 0 HIADLP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCCO2 ZINC000481409203 896814723 /nfs/dbraw/zinc/81/47/23/896814723.db2.gz AQZFVCHZALNKIU-XMMPIXPASA-N 2 2 410.558 4.018 20 0 HIADLP Clc1cccc2c1SCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481421852 896823829 /nfs/dbraw/zinc/82/38/29/896823829.db2.gz RHHZLLLWNAPXKT-NRFANRHFSA-N 2 2 418.990 4.378 20 0 HIADLP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCCO2 ZINC000481421054 896824247 /nfs/dbraw/zinc/82/42/47/896824247.db2.gz HNHBCDSKUYVKAD-DEOSSOPVSA-N 2 2 410.558 4.018 20 0 HIADLP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)CCOCC2)cc1 ZINC000481542071 896902382 /nfs/dbraw/zinc/90/23/82/896902382.db2.gz JGEOFUKYAYSJGG-PXDATVDWSA-N 2 2 423.601 4.029 20 0 HIADLP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)CCOCC2)cc1 ZINC000481542071 896902394 /nfs/dbraw/zinc/90/23/94/896902394.db2.gz JGEOFUKYAYSJGG-PXDATVDWSA-N 2 2 423.601 4.029 20 0 HIADLP O=C(NCc1ccccc1)[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000481574761 896953274 /nfs/dbraw/zinc/95/32/74/896953274.db2.gz TZMTXENDASGBTE-AOYPEHQESA-N 2 2 413.565 4.156 20 0 HIADLP O=C(NCc1ccccc1)[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000481574761 896953283 /nfs/dbraw/zinc/95/32/83/896953283.db2.gz TZMTXENDASGBTE-AOYPEHQESA-N 2 2 413.565 4.156 20 0 HIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482037782 897455058 /nfs/dbraw/zinc/45/50/58/897455058.db2.gz XHSZDZMUBGKCQG-XLIONFOSSA-N 2 2 414.619 4.020 20 0 HIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000482037782 897455063 /nfs/dbraw/zinc/45/50/63/897455063.db2.gz XHSZDZMUBGKCQG-XLIONFOSSA-N 2 2 414.619 4.020 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000482128184 897585916 /nfs/dbraw/zinc/58/59/16/897585916.db2.gz QDNURGWFCLNOQM-VKJFTORMSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000482128184 897585926 /nfs/dbraw/zinc/58/59/26/897585926.db2.gz QDNURGWFCLNOQM-VKJFTORMSA-N 2 2 416.393 4.047 20 0 HIADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000482210739 897689805 /nfs/dbraw/zinc/68/98/05/897689805.db2.gz NLLOWYOSASJUDB-UHFFFAOYSA-N 2 2 401.466 4.268 20 0 HIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000482462209 898035827 /nfs/dbraw/zinc/03/58/27/898035827.db2.gz VONHPOPHMCYODB-XMSQKQJNSA-N 2 2 409.574 4.277 20 0 HIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000482462209 898035839 /nfs/dbraw/zinc/03/58/39/898035839.db2.gz VONHPOPHMCYODB-XMSQKQJNSA-N 2 2 409.574 4.277 20 0 HIADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000505527346 914220384 /nfs/dbraw/zinc/22/03/84/914220384.db2.gz UGWKPKVAZCCTFA-OAQYLSRUSA-N 2 2 423.601 4.446 20 0 HIADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000505527346 914220403 /nfs/dbraw/zinc/22/04/03/914220403.db2.gz UGWKPKVAZCCTFA-OAQYLSRUSA-N 2 2 423.601 4.446 20 0 HIADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c2)CC1 ZINC000482553632 898145326 /nfs/dbraw/zinc/14/53/26/898145326.db2.gz JQMPSOBYAVQVOH-BKMJKUGQSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c2)CC1 ZINC000482553632 898145334 /nfs/dbraw/zinc/14/53/34/898145334.db2.gz JQMPSOBYAVQVOH-BKMJKUGQSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)c2)CC1 ZINC000482553630 898145893 /nfs/dbraw/zinc/14/58/93/898145893.db2.gz JQMPSOBYAVQVOH-ATIYNZHBSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)c2)CC1 ZINC000482553630 898145908 /nfs/dbraw/zinc/14/59/08/898145908.db2.gz JQMPSOBYAVQVOH-ATIYNZHBSA-N 3 2 406.618 4.314 20 0 HIADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000482975354 898610828 /nfs/dbraw/zinc/61/08/28/898610828.db2.gz BYKBNISPWDFBKG-LJQANCHMSA-N 2 2 424.614 4.295 20 0 HIADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000482975354 898610831 /nfs/dbraw/zinc/61/08/31/898610831.db2.gz BYKBNISPWDFBKG-LJQANCHMSA-N 2 2 424.614 4.295 20 0 HIADLP O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482975354 898610835 /nfs/dbraw/zinc/61/08/35/898610835.db2.gz BYKBNISPWDFBKG-LJQANCHMSA-N 2 2 424.614 4.295 20 0 HIADLP O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482975354 898610839 /nfs/dbraw/zinc/61/08/39/898610839.db2.gz BYKBNISPWDFBKG-LJQANCHMSA-N 2 2 424.614 4.295 20 0 HIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000483121689 898809046 /nfs/dbraw/zinc/80/90/46/898809046.db2.gz QGAXDQITYJHSTM-NZQKXSOJSA-N 2 2 404.558 4.314 20 0 HIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000483121689 898809049 /nfs/dbraw/zinc/80/90/49/898809049.db2.gz QGAXDQITYJHSTM-NZQKXSOJSA-N 2 2 404.558 4.314 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000483125896 898810881 /nfs/dbraw/zinc/81/08/81/898810881.db2.gz JXVNRUUXWFLOMF-UTKZUKDTSA-N 2 2 414.391 4.376 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000483125896 898810884 /nfs/dbraw/zinc/81/08/84/898810884.db2.gz JXVNRUUXWFLOMF-UTKZUKDTSA-N 2 2 414.391 4.376 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000483188859 898848215 /nfs/dbraw/zinc/84/82/15/898848215.db2.gz XRUGPFPPGNCMMH-IERDGZPVSA-N 2 2 420.370 4.416 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000483188859 898848220 /nfs/dbraw/zinc/84/82/20/898848220.db2.gz XRUGPFPPGNCMMH-IERDGZPVSA-N 2 2 420.370 4.416 20 0 HIADLP COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)no1 ZINC000483437851 899071956 /nfs/dbraw/zinc/07/19/56/899071956.db2.gz HDYFKBQWNBDTLG-UHFFFAOYSA-N 2 2 415.497 4.311 20 0 HIADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000483481709 899127383 /nfs/dbraw/zinc/12/73/83/899127383.db2.gz IQHOXHKUCSBPGP-MJGOQNOKSA-N 2 2 401.576 4.134 20 0 HIADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000483481709 899127387 /nfs/dbraw/zinc/12/73/87/899127387.db2.gz IQHOXHKUCSBPGP-MJGOQNOKSA-N 2 2 401.576 4.134 20 0 HIADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cs2)cc1OC ZINC000483481709 899127391 /nfs/dbraw/zinc/12/73/91/899127391.db2.gz IQHOXHKUCSBPGP-MJGOQNOKSA-N 2 2 401.576 4.134 20 0 HIADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cs2)cc1OC ZINC000483481709 899127399 /nfs/dbraw/zinc/12/73/99/899127399.db2.gz IQHOXHKUCSBPGP-MJGOQNOKSA-N 2 2 401.576 4.134 20 0 HIADLP CCSc1ccc(Cl)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000483940985 899596331 /nfs/dbraw/zinc/59/63/31/899596331.db2.gz MWLSJJRROJGWPC-UHFFFAOYSA-N 2 2 411.015 4.132 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000484146712 899766917 /nfs/dbraw/zinc/76/69/17/899766917.db2.gz ZFKGNSRYRNUUOP-HFSMHLIXSA-N 2 2 404.501 4.130 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000484146712 899766925 /nfs/dbraw/zinc/76/69/25/899766925.db2.gz ZFKGNSRYRNUUOP-HFSMHLIXSA-N 2 2 404.501 4.130 20 0 HIADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000484153781 899773605 /nfs/dbraw/zinc/77/36/05/899773605.db2.gz APXOOBKOXRTCRZ-DVECYGJZSA-N 2 2 418.541 4.278 20 0 HIADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000484153781 899773612 /nfs/dbraw/zinc/77/36/12/899773612.db2.gz APXOOBKOXRTCRZ-DVECYGJZSA-N 2 2 418.541 4.278 20 0 HIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1OC(F)F ZINC000484162506 899781942 /nfs/dbraw/zinc/78/19/42/899781942.db2.gz OSGHTZJIBJSRSR-SESVDKBCSA-N 2 2 404.501 4.212 20 0 HIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1OC(F)F ZINC000484162506 899781951 /nfs/dbraw/zinc/78/19/51/899781951.db2.gz OSGHTZJIBJSRSR-SESVDKBCSA-N 2 2 404.501 4.212 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000484171748 899790524 /nfs/dbraw/zinc/79/05/24/899790524.db2.gz GXZDFJOBVCLRBZ-SCWSEQNSSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000484171748 899790532 /nfs/dbraw/zinc/79/05/32/899790532.db2.gz GXZDFJOBVCLRBZ-SCWSEQNSSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485350000 900643386 /nfs/dbraw/zinc/64/33/86/900643386.db2.gz SEOOLMWUALTBPE-IZIIKQMZSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485350000 900643390 /nfs/dbraw/zinc/64/33/90/900643390.db2.gz SEOOLMWUALTBPE-IZIIKQMZSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000485350000 900643394 /nfs/dbraw/zinc/64/33/94/900643394.db2.gz SEOOLMWUALTBPE-IZIIKQMZSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000485350000 900643398 /nfs/dbraw/zinc/64/33/98/900643398.db2.gz SEOOLMWUALTBPE-IZIIKQMZSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000488204741 902687941 /nfs/dbraw/zinc/68/79/41/902687941.db2.gz XXDDMPPEFBBAMV-KNQAVFIVSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000488204741 902687943 /nfs/dbraw/zinc/68/79/43/902687943.db2.gz XXDDMPPEFBBAMV-KNQAVFIVSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000488204741 902687948 /nfs/dbraw/zinc/68/79/48/902687948.db2.gz XXDDMPPEFBBAMV-KNQAVFIVSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000488204741 902687950 /nfs/dbraw/zinc/68/79/50/902687950.db2.gz XXDDMPPEFBBAMV-KNQAVFIVSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490963668 904339900 /nfs/dbraw/zinc/33/99/00/904339900.db2.gz YTVBOZSOAJDAAY-GCJKJVERSA-N 2 2 415.528 4.215 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490963668 904339921 /nfs/dbraw/zinc/33/99/21/904339921.db2.gz YTVBOZSOAJDAAY-GCJKJVERSA-N 2 2 415.528 4.215 20 0 HIADLP CSc1cccc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2cc(F)ccc2F)c1 ZINC000491036728 904389711 /nfs/dbraw/zinc/38/97/11/904389711.db2.gz ZFZHGITYTADRPI-OPAMFIHVSA-N 2 2 405.558 4.002 20 0 HIADLP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000491052332 904397475 /nfs/dbraw/zinc/39/74/75/904397475.db2.gz LPBGGVSRBGWAMR-JOCHJYFZSA-N 2 2 404.501 4.468 20 0 HIADLP Cc1cc(Br)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1OC(F)F ZINC000491111838 904435283 /nfs/dbraw/zinc/43/52/83/904435283.db2.gz HHWUSQFGMMVMOA-UHFFFAOYSA-N 2 2 400.267 4.462 20 0 HIADLP COc1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000491421551 904586495 /nfs/dbraw/zinc/58/64/95/904586495.db2.gz FKTATNXNWVOALU-SANMLTNESA-N 2 2 402.538 4.407 20 0 HIADLP CCC(CC)(CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[NH2+][C@@H](C)c1ccccc1 ZINC000492348118 904836979 /nfs/dbraw/zinc/83/69/79/904836979.db2.gz AVUXCXTWCMVRBG-IBGZPJMESA-N 2 2 420.561 4.358 20 0 HIADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2ccc(F)cc2)cc1 ZINC000493989380 905334050 /nfs/dbraw/zinc/33/40/50/905334050.db2.gz KVEDULDBEFEGMX-CCDWMCETSA-N 2 2 412.549 4.281 20 0 HIADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)Nc1cccc(F)c1 ZINC000512426886 921152607 /nfs/dbraw/zinc/15/26/07/921152607.db2.gz JIWUZQWYURWIKQ-IBGZPJMESA-N 2 2 407.493 4.045 20 0 HIADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)Nc1cccc(F)c1 ZINC000512426886 921152615 /nfs/dbraw/zinc/15/26/15/921152615.db2.gz JIWUZQWYURWIKQ-IBGZPJMESA-N 2 2 407.493 4.045 20 0 HIADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000494402052 905694792 /nfs/dbraw/zinc/69/47/92/905694792.db2.gz BNQRQIAFDMOHGD-RPWUZVMVSA-N 2 2 421.589 4.208 20 0 HIADLP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494409296 905699866 /nfs/dbraw/zinc/69/98/66/905699866.db2.gz GCLAJYAVHPWJLJ-OAQYLSRUSA-N 2 2 401.489 4.288 20 0 HIADLP CCCC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)Nc1cc(C)on1 ZINC000495722850 906531529 /nfs/dbraw/zinc/53/15/29/906531529.db2.gz CWVCHEYKXRSMQH-MJGOQNOKSA-N 2 2 404.580 4.044 20 0 HIADLP CCCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)Nc1cc(C)on1 ZINC000495722850 906531544 /nfs/dbraw/zinc/53/15/44/906531544.db2.gz CWVCHEYKXRSMQH-MJGOQNOKSA-N 2 2 404.580 4.044 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)NCc3ccccc3C[NH+]3CCCCC3)cn2c1 ZINC000496484336 906693419 /nfs/dbraw/zinc/69/34/19/906693419.db2.gz PPNOLCVICQCOCE-UHFFFAOYSA-N 2 2 422.598 4.178 20 0 HIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000512660441 921279105 /nfs/dbraw/zinc/27/91/05/921279105.db2.gz NFTPFLKPAJSYBI-NXCFDTQHSA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000512660441 921279110 /nfs/dbraw/zinc/27/91/10/921279110.db2.gz NFTPFLKPAJSYBI-NXCFDTQHSA-N 3 2 400.570 4.322 20 0 HIADLP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000512667684 921281721 /nfs/dbraw/zinc/28/17/21/921281721.db2.gz QSZJUZKTZIIUGR-NRFANRHFSA-N 2 2 410.455 4.370 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1)c1ccccc1 ZINC000497693561 907198736 /nfs/dbraw/zinc/19/87/36/907198736.db2.gz DXFYPKXZTFRXGS-NRFANRHFSA-N 2 2 410.587 4.075 20 0 HIADLP C[NH+](C)Cc1ccccc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000497998234 907479448 /nfs/dbraw/zinc/47/94/48/907479448.db2.gz PVLGTTHSPMAJJG-UHFFFAOYSA-N 2 2 406.555 4.015 20 0 HIADLP C[NH+](C)Cc1ccccc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000497998234 907479468 /nfs/dbraw/zinc/47/94/68/907479468.db2.gz PVLGTTHSPMAJJG-UHFFFAOYSA-N 2 2 406.555 4.015 20 0 HIADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498564497 908024809 /nfs/dbraw/zinc/02/48/09/908024809.db2.gz QNSXATJFTXETQW-FQEVSTJZSA-N 2 2 418.507 4.135 20 0 HIADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498564497 908024829 /nfs/dbraw/zinc/02/48/29/908024829.db2.gz QNSXATJFTXETQW-FQEVSTJZSA-N 2 2 418.507 4.135 20 0 HIADLP Cc1cc(C)cc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)cc2)c1 ZINC000512904041 921395848 /nfs/dbraw/zinc/39/58/48/921395848.db2.gz LOXRDQCEBIIXBF-QILAJZQNSA-N 2 2 405.586 4.144 20 0 HIADLP Cc1cc(C)cc(-c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)cc2)c1 ZINC000512904041 921395875 /nfs/dbraw/zinc/39/58/75/921395875.db2.gz LOXRDQCEBIIXBF-QILAJZQNSA-N 2 2 405.586 4.144 20 0 HIADLP CN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000498913900 908321303 /nfs/dbraw/zinc/32/13/03/908321303.db2.gz DYDMTDWEMOXTLE-SFHVURJKSA-N 2 2 407.587 4.093 20 0 HIADLP CN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000498913900 908321311 /nfs/dbraw/zinc/32/13/11/908321311.db2.gz DYDMTDWEMOXTLE-SFHVURJKSA-N 2 2 407.587 4.093 20 0 HIADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499026607 908402276 /nfs/dbraw/zinc/40/22/76/908402276.db2.gz UFKFRZYFUNWIEE-HXUWFJFHSA-N 2 2 401.601 4.073 20 0 HIADLP O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499026607 908402288 /nfs/dbraw/zinc/40/22/88/908402288.db2.gz UFKFRZYFUNWIEE-HXUWFJFHSA-N 2 2 401.601 4.073 20 0 HIADLP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1c1ccccc1F ZINC000499178358 908533971 /nfs/dbraw/zinc/53/39/71/908533971.db2.gz TYEVZVOYERRNHW-CUDBPUKSSA-N 2 2 407.533 4.106 20 0 HIADLP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCN1c1ccccc1F ZINC000499178358 908533983 /nfs/dbraw/zinc/53/39/83/908533983.db2.gz TYEVZVOYERRNHW-CUDBPUKSSA-N 2 2 407.533 4.106 20 0 HIADLP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000499213651 908569478 /nfs/dbraw/zinc/56/94/78/908569478.db2.gz ALLNGSKOJDLZAT-MALNDZBISA-N 2 2 409.961 4.231 20 0 HIADLP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000499213651 908569493 /nfs/dbraw/zinc/56/94/93/908569493.db2.gz ALLNGSKOJDLZAT-MALNDZBISA-N 2 2 409.961 4.231 20 0 HIADLP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500010145 909463305 /nfs/dbraw/zinc/46/33/05/909463305.db2.gz SUJOQAUQRWRBTQ-YKSBVNFPSA-N 2 2 402.542 4.229 20 0 HIADLP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500010145 909463318 /nfs/dbraw/zinc/46/33/18/909463318.db2.gz SUJOQAUQRWRBTQ-YKSBVNFPSA-N 2 2 402.542 4.229 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000500099602 909577796 /nfs/dbraw/zinc/57/77/96/909577796.db2.gz BNHIZAIWXPHWPV-QDSKXPNFSA-N 2 2 419.573 4.232 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccsc1 ZINC000501519837 910630904 /nfs/dbraw/zinc/63/09/04/910630904.db2.gz VFBXWNWMABYELE-QHCPKHFHSA-N 2 2 422.598 4.031 20 0 HIADLP C[C@H]([NH2+]C(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000502935982 911921160 /nfs/dbraw/zinc/92/11/60/911921160.db2.gz RJJLYYOINLLWSA-IBGZPJMESA-N 2 2 409.578 4.001 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000503074493 912043934 /nfs/dbraw/zinc/04/39/34/912043934.db2.gz LJIDVKHXGNBVCT-NMNUPHIUSA-N 2 2 404.514 4.155 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000503074493 912043957 /nfs/dbraw/zinc/04/39/57/912043957.db2.gz LJIDVKHXGNBVCT-NMNUPHIUSA-N 2 2 404.514 4.155 20 0 HIADLP C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000513345032 921728860 /nfs/dbraw/zinc/72/88/60/921728860.db2.gz GDOSYRAHTXCQKF-MAUKXSAKSA-N 2 2 404.457 4.159 20 0 HIADLP C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000513345032 921728867 /nfs/dbraw/zinc/72/88/67/921728867.db2.gz GDOSYRAHTXCQKF-MAUKXSAKSA-N 2 2 404.457 4.159 20 0 HIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)cc(Br)c2OC)CC1 ZINC000506690672 915369143 /nfs/dbraw/zinc/36/91/43/915369143.db2.gz RRLHYPHUAXWFMV-UHFFFAOYSA-N 2 2 420.189 4.136 20 0 HIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)cc(Br)c2OC)CC1 ZINC000506690672 915369164 /nfs/dbraw/zinc/36/91/64/915369164.db2.gz RRLHYPHUAXWFMV-UHFFFAOYSA-N 2 2 420.189 4.136 20 0 HIADLP CSCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1nnc2ccccn21 ZINC000507463630 916231552 /nfs/dbraw/zinc/23/15/52/916231552.db2.gz UQLFBBNIXNDDMI-KJJMTIBFSA-N 2 2 421.614 4.024 20 0 HIADLP CSCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1nnc2ccccn21 ZINC000507463630 916231574 /nfs/dbraw/zinc/23/15/74/916231574.db2.gz UQLFBBNIXNDDMI-KJJMTIBFSA-N 2 2 421.614 4.024 20 0 HIADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1cccc(Br)c1 ZINC000507497683 916263783 /nfs/dbraw/zinc/26/37/83/916263783.db2.gz SHABMWQPHCZNQJ-ZDUSSCGKSA-N 2 2 409.290 4.223 20 0 HIADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000507521550 916283671 /nfs/dbraw/zinc/28/36/71/916283671.db2.gz YXVBORRUXDYTPI-ISJGIBHGSA-N 2 2 400.570 4.126 20 0 HIADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000507521550 916283698 /nfs/dbraw/zinc/28/36/98/916283698.db2.gz YXVBORRUXDYTPI-ISJGIBHGSA-N 2 2 400.570 4.126 20 0 HIADLP CC(C)(C)C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000507787994 916572489 /nfs/dbraw/zinc/57/24/89/916572489.db2.gz XDKNVVBHFNFUES-UHFFFAOYSA-N 2 2 409.574 4.006 20 0 HIADLP CC(C)(C)C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000507787994 916572516 /nfs/dbraw/zinc/57/25/16/916572516.db2.gz XDKNVVBHFNFUES-UHFFFAOYSA-N 2 2 409.574 4.006 20 0 HIADLP C[C@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508499914 917283858 /nfs/dbraw/zinc/28/38/58/917283858.db2.gz ACNCMXSYFQRKOJ-QHAWAJNXSA-N 2 2 416.569 4.476 20 0 HIADLP C[C@H](C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508499914 917283871 /nfs/dbraw/zinc/28/38/71/917283871.db2.gz ACNCMXSYFQRKOJ-QHAWAJNXSA-N 2 2 416.569 4.476 20 0 HIADLP CCOc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OCC(F)(F)F ZINC000508676130 917440010 /nfs/dbraw/zinc/44/00/10/917440010.db2.gz KPTFXBQTLSGTDC-MRXNPFEDSA-N 2 2 411.468 4.215 20 0 HIADLP CCOc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OCC(F)(F)F ZINC000508676130 917440016 /nfs/dbraw/zinc/44/00/16/917440016.db2.gz KPTFXBQTLSGTDC-MRXNPFEDSA-N 2 2 411.468 4.215 20 0 HIADLP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2ccncc2)no1 ZINC000508696356 917459064 /nfs/dbraw/zinc/45/90/64/917459064.db2.gz HRVQYTGCRFDTQP-NYVOZVTQSA-N 2 2 405.546 4.329 20 0 HIADLP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2ccncc2)no1 ZINC000508696356 917459069 /nfs/dbraw/zinc/45/90/69/917459069.db2.gz HRVQYTGCRFDTQP-NYVOZVTQSA-N 2 2 405.546 4.329 20 0 HIADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508945799 917703405 /nfs/dbraw/zinc/70/34/05/917703405.db2.gz FCKPEXLHKGXSMT-OAQYLSRUSA-N 2 2 414.431 4.265 20 0 HIADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508945799 917703415 /nfs/dbraw/zinc/70/34/15/917703415.db2.gz FCKPEXLHKGXSMT-OAQYLSRUSA-N 2 2 414.431 4.265 20 0 HIADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3csc(C4CC4)n3)CC2)c1C ZINC000509082864 917826872 /nfs/dbraw/zinc/82/68/72/917826872.db2.gz XHGGJVDFJKIEPD-UHFFFAOYSA-N 2 2 400.592 4.137 20 0 HIADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3csc(C4CC4)n3)CC2)c1C ZINC000509082864 917826879 /nfs/dbraw/zinc/82/68/79/917826879.db2.gz XHGGJVDFJKIEPD-UHFFFAOYSA-N 2 2 400.592 4.137 20 0 HIADLP c1ncn(-c2ccc(C[NH2+][C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3c3ccccc3)cc2)n1 ZINC000509445608 918100017 /nfs/dbraw/zinc/10/00/17/918100017.db2.gz CWBKKOYZOWOIES-IZZNHLLZSA-N 2 2 409.537 4.025 20 0 HIADLP c1ncn(-c2ccc(C[NH2+][C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3c3ccccc3)cc2)n1 ZINC000509445608 918100030 /nfs/dbraw/zinc/10/00/30/918100030.db2.gz CWBKKOYZOWOIES-IZZNHLLZSA-N 2 2 409.537 4.025 20 0 HIADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000509603225 918252759 /nfs/dbraw/zinc/25/27/59/918252759.db2.gz KVBRNOCXQCMILK-LOSJGSFVSA-N 2 2 411.565 4.190 20 0 HIADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000509603225 918252773 /nfs/dbraw/zinc/25/27/73/918252773.db2.gz KVBRNOCXQCMILK-LOSJGSFVSA-N 2 2 411.565 4.190 20 0 HIADLP COc1ccc(C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)c2ccc(OC)cc2)cc1 ZINC000510175327 918726419 /nfs/dbraw/zinc/72/64/19/918726419.db2.gz IQCSPSVCKMMYOA-JOCHJYFZSA-N 2 2 411.571 4.296 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000510349490 918845978 /nfs/dbraw/zinc/84/59/78/918845978.db2.gz WKROMWCHEWKAOR-UHFFFAOYSA-N 2 2 408.933 4.229 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ncc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000510496910 918945385 /nfs/dbraw/zinc/94/53/85/918945385.db2.gz RVYHRSLAQGEWDZ-RDJZCZTQSA-N 2 2 423.388 4.421 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ncc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000510496910 918945397 /nfs/dbraw/zinc/94/53/97/918945397.db2.gz RVYHRSLAQGEWDZ-RDJZCZTQSA-N 2 2 423.388 4.421 20 0 HIADLP CCOc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510963271 919504167 /nfs/dbraw/zinc/50/41/67/919504167.db2.gz AFECULAHWKXMMF-UHFFFAOYSA-N 2 2 404.308 4.340 20 0 HIADLP CCOc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510963271 919504188 /nfs/dbraw/zinc/50/41/88/919504188.db2.gz AFECULAHWKXMMF-UHFFFAOYSA-N 2 2 404.308 4.340 20 0 HIADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510969706 919512651 /nfs/dbraw/zinc/51/26/51/919512651.db2.gz QWCBYERBOPRELB-CBNMVNINSA-N 2 2 422.013 4.000 20 0 HIADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510969706 919512667 /nfs/dbraw/zinc/51/26/67/919512667.db2.gz QWCBYERBOPRELB-CBNMVNINSA-N 2 2 422.013 4.000 20 0 HIADLP CO[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)c1ccccc1 ZINC000510969208 919513929 /nfs/dbraw/zinc/51/39/29/919513929.db2.gz PFXSWFOVKFMZMO-GOSISDBHSA-N 2 2 404.308 4.129 20 0 HIADLP CO[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)c1ccccc1 ZINC000510969208 919513940 /nfs/dbraw/zinc/51/39/40/919513940.db2.gz PFXSWFOVKFMZMO-GOSISDBHSA-N 2 2 404.308 4.129 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000511646290 920312102 /nfs/dbraw/zinc/31/21/02/920312102.db2.gz JQXBBYZMXGUYDH-AZUAARDMSA-N 2 2 412.603 4.226 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000511646290 920312121 /nfs/dbraw/zinc/31/21/21/920312121.db2.gz JQXBBYZMXGUYDH-AZUAARDMSA-N 2 2 412.603 4.226 20 0 HIADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)C1 ZINC000511646290 920312140 /nfs/dbraw/zinc/31/21/40/920312140.db2.gz JQXBBYZMXGUYDH-AZUAARDMSA-N 2 2 412.603 4.226 20 0 HIADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)C1 ZINC000511646290 920312165 /nfs/dbraw/zinc/31/21/65/920312165.db2.gz JQXBBYZMXGUYDH-AZUAARDMSA-N 2 2 412.603 4.226 20 0 HIADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(Br)c1 ZINC000512135236 920882929 /nfs/dbraw/zinc/88/29/29/920882929.db2.gz HBVGFSLRKQNBHS-SFHVURJKSA-N 2 2 403.364 4.112 20 0 HIADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(Br)c1 ZINC000512135236 920882935 /nfs/dbraw/zinc/88/29/35/920882935.db2.gz HBVGFSLRKQNBHS-SFHVURJKSA-N 2 2 403.364 4.112 20 0 HIADLP OCC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000512182937 920922988 /nfs/dbraw/zinc/92/29/88/920922988.db2.gz SVHYONMWWFFXHT-DENIHFKCSA-N 2 2 423.384 4.298 20 0 HIADLP OCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000512182937 920923010 /nfs/dbraw/zinc/92/30/10/920923010.db2.gz SVHYONMWWFFXHT-DENIHFKCSA-N 2 2 423.384 4.298 20 0 HIADLP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)CC1 ZINC000512279613 921035478 /nfs/dbraw/zinc/03/54/78/921035478.db2.gz GBWXKPHYKMGZPQ-KRWDZBQOSA-N 2 2 413.562 4.406 20 0 HIADLP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2c3ccccc3oc2C(C)=O)CC1 ZINC000512279613 921035494 /nfs/dbraw/zinc/03/54/94/921035494.db2.gz GBWXKPHYKMGZPQ-KRWDZBQOSA-N 2 2 413.562 4.406 20 0 HIADLP C/C=C\c1ccc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000512300484 921055113 /nfs/dbraw/zinc/05/51/13/921055113.db2.gz DUCUNFZHDPYGDD-DTDCAFGESA-N 2 2 424.585 4.064 20 0 HIADLP C/C=C\c1ccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000512300484 921055124 /nfs/dbraw/zinc/05/51/24/921055124.db2.gz DUCUNFZHDPYGDD-DTDCAFGESA-N 2 2 424.585 4.064 20 0 HIADLP C[N@H+](Cc1ccc(OCc2ccncc2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512364293 921105916 /nfs/dbraw/zinc/10/59/16/921105916.db2.gz CQOICTDHQZCJBV-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512364293 921105924 /nfs/dbraw/zinc/10/59/24/921105924.db2.gz CQOICTDHQZCJBV-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP Clc1cc(Br)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513819572 922143621 /nfs/dbraw/zinc/14/36/21/922143621.db2.gz ZIBSJAHISSINJD-UHFFFAOYSA-N 2 2 401.776 4.037 20 0 HIADLP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)cc2)CC1 ZINC000515081122 922897761 /nfs/dbraw/zinc/89/77/61/922897761.db2.gz SNNDKKDGJDGWPU-DEOSSOPVSA-N 2 2 416.569 4.480 20 0 HIADLP CC1CC[NH+]([C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2)CC1 ZINC000515987490 923482289 /nfs/dbraw/zinc/48/22/89/923482289.db2.gz ICFCSYGIYAZGGB-DEOSSOPVSA-N 2 2 402.542 4.134 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000516636841 923823109 /nfs/dbraw/zinc/82/31/09/923823109.db2.gz XFTCCMFBFHEHAR-UHFFFAOYSA-N 2 2 423.479 4.063 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000516636841 923823119 /nfs/dbraw/zinc/82/31/19/923823119.db2.gz XFTCCMFBFHEHAR-UHFFFAOYSA-N 2 2 423.479 4.063 20 0 HIADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000517559933 926680032 /nfs/dbraw/zinc/68/00/32/926680032.db2.gz UDNCYKYNAWSPSC-UHFFFAOYSA-N 2 2 424.372 4.286 20 0 HIADLP CC(C)C[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000517714396 926810149 /nfs/dbraw/zinc/81/01/49/926810149.db2.gz KYZFQAXJNCZGQA-HYBUGGRVSA-N 2 2 404.558 4.427 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000517911937 926887663 /nfs/dbraw/zinc/88/76/63/926887663.db2.gz HMVAPRUNEWGWFL-HXUWFJFHSA-N 2 2 409.578 4.148 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000517911937 926887672 /nfs/dbraw/zinc/88/76/72/926887672.db2.gz HMVAPRUNEWGWFL-HXUWFJFHSA-N 2 2 409.578 4.148 20 0 HIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC000518242437 927102647 /nfs/dbraw/zinc/10/26/47/927102647.db2.gz KKTFSZGSQJJOOU-UHFFFAOYSA-N 2 2 404.904 4.395 20 0 HIADLP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000519196929 927821696 /nfs/dbraw/zinc/82/16/96/927821696.db2.gz WOIQFMAPFRJXLZ-HXUWFJFHSA-N 2 2 424.589 4.243 20 0 HIADLP CCCc1ccc([C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000519206877 927828140 /nfs/dbraw/zinc/82/81/40/927828140.db2.gz CXBQXCUCZZPQLW-HSZRJFAPSA-N 2 2 402.627 4.004 20 0 HIADLP CCCc1ccc([C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000519206877 927828144 /nfs/dbraw/zinc/82/81/44/927828144.db2.gz CXBQXCUCZZPQLW-HSZRJFAPSA-N 2 2 402.627 4.004 20 0 HIADLP CC[N@H+](CCC1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1)CC(C)C ZINC000519488248 927983589 /nfs/dbraw/zinc/98/35/89/927983589.db2.gz BKJDJNJJTPJMCN-UHFFFAOYSA-N 2 2 410.606 4.081 20 0 HIADLP CC[N@@H+](CCC1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1)CC(C)C ZINC000519488248 927983603 /nfs/dbraw/zinc/98/36/03/927983603.db2.gz BKJDJNJJTPJMCN-UHFFFAOYSA-N 2 2 410.606 4.081 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000519506688 928000387 /nfs/dbraw/zinc/00/03/87/928000387.db2.gz GOLNUGMDPFXVKO-CPJSRVTESA-N 2 2 405.542 4.392 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000519506688 928000399 /nfs/dbraw/zinc/00/03/99/928000399.db2.gz GOLNUGMDPFXVKO-CPJSRVTESA-N 2 2 405.542 4.392 20 0 HIADLP Clc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000520206879 928387779 /nfs/dbraw/zinc/38/77/79/928387779.db2.gz WYPCWUFKSARICP-UHFFFAOYSA-N 2 2 409.965 4.032 20 0 HIADLP Brc1ccc(OCc2ccccn2)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000520953599 928887883 /nfs/dbraw/zinc/88/78/83/928887883.db2.gz PIDDCGCYLVQGIW-UHFFFAOYSA-N 2 2 418.379 4.389 20 0 HIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521686228 929366427 /nfs/dbraw/zinc/36/64/27/929366427.db2.gz YZIFHSIBMMSRIZ-MRXNPFEDSA-N 2 2 421.372 4.120 20 0 HIADLP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521686228 929366435 /nfs/dbraw/zinc/36/64/35/929366435.db2.gz YZIFHSIBMMSRIZ-MRXNPFEDSA-N 2 2 421.372 4.120 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(C(F)(F)F)c1 ZINC000530578603 930757463 /nfs/dbraw/zinc/75/74/63/930757463.db2.gz SVLPLNLPLYWVHR-GOSISDBHSA-N 2 2 408.468 4.218 20 0 HIADLP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000531563800 931104416 /nfs/dbraw/zinc/10/44/16/931104416.db2.gz HGYDPDMLCWQVOT-UHFFFAOYSA-N 2 2 418.585 4.292 20 0 HIADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000531777566 931192682 /nfs/dbraw/zinc/19/26/82/931192682.db2.gz ZPINQWOUNVEBNC-UHFFFAOYSA-N 2 2 419.594 4.357 20 0 HIADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1Br ZINC000531965889 931268318 /nfs/dbraw/zinc/26/83/18/931268318.db2.gz RKZKSHNUMFFANM-LAUBAEHRSA-N 2 2 402.380 4.088 20 0 HIADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(F)cc1Br ZINC000531965884 931268472 /nfs/dbraw/zinc/26/84/72/931268472.db2.gz RCDCTZZCKAZMST-IERDGZPVSA-N 2 2 420.370 4.228 20 0 HIADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000532015971 931285379 /nfs/dbraw/zinc/28/53/79/931285379.db2.gz KJGNSGMJKIQFRD-PMACEKPBSA-N 2 2 408.464 4.433 20 0 HIADLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532231332 931364652 /nfs/dbraw/zinc/36/46/52/931364652.db2.gz OGQCAFOPAAPCCW-GOSISDBHSA-N 2 2 411.571 4.294 20 0 HIADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000532294675 931388654 /nfs/dbraw/zinc/38/86/54/931388654.db2.gz SBGLMPRMXFXFFK-UHFFFAOYSA-N 2 2 404.558 4.472 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1cccc(C(F)(F)F)c1 ZINC000532345687 931402444 /nfs/dbraw/zinc/40/24/44/931402444.db2.gz IFVAUICLZPFFAV-UXPWSPDFSA-N 2 2 422.495 4.395 20 0 HIADLP Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1Br ZINC000532675592 931579931 /nfs/dbraw/zinc/57/99/31/931579931.db2.gz SDHQROKUZXRWJA-UHFFFAOYSA-N 2 2 403.368 4.295 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3c[nH]nc3-c3ccc(Cl)cc3)[nH+]c2)CC1 ZINC000532676428 931579949 /nfs/dbraw/zinc/57/99/49/931579949.db2.gz XJKXQQOBZDFWSE-UHFFFAOYSA-N 2 2 410.953 4.268 20 0 HIADLP CC[N@H+](CC(=O)NC1CCCCCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073173 931763915 /nfs/dbraw/zinc/76/39/15/931763915.db2.gz DNCRZASIUPQYBA-UHFFFAOYSA-N 2 2 415.626 4.038 20 0 HIADLP CC[N@@H+](CC(=O)NC1CCCCCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073173 931763918 /nfs/dbraw/zinc/76/39/18/931763918.db2.gz DNCRZASIUPQYBA-UHFFFAOYSA-N 2 2 415.626 4.038 20 0 HIADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000533244028 931817232 /nfs/dbraw/zinc/81/72/32/931817232.db2.gz RHUHXKYRRKGNPF-UHFFFAOYSA-N 2 2 416.791 4.095 20 0 HIADLP CCCCc1noc(C[N@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000533396287 931857475 /nfs/dbraw/zinc/85/74/75/931857475.db2.gz OFFOVSKXOIJUJD-UHFFFAOYSA-N 2 2 400.571 4.125 20 0 HIADLP CCCCc1noc(C[N@@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000533396287 931857479 /nfs/dbraw/zinc/85/74/79/931857479.db2.gz OFFOVSKXOIJUJD-UHFFFAOYSA-N 2 2 400.571 4.125 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2ccc(C[NH+](C)[C@@H]3CC[N@@H+](CC)[C@@H](C)C3)cc2)C[C@H]1C ZINC000533447508 931871728 /nfs/dbraw/zinc/87/17/28/931871728.db2.gz NFDOTPGOVLCRNK-CEWHCAETSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2ccc(C[NH+](C)[C@@H]3CC[N@H+](CC)[C@@H](C)C3)cc2)C[C@H]1C ZINC000533447508 931871732 /nfs/dbraw/zinc/87/17/32/931871732.db2.gz NFDOTPGOVLCRNK-CEWHCAETSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2ccc(C[N@@H+](C)[C@@H]3CC[NH+](CC)[C@@H](C)C3)cc2)C[C@H]1C ZINC000533447508 931871736 /nfs/dbraw/zinc/87/17/36/931871736.db2.gz NFDOTPGOVLCRNK-CEWHCAETSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2ccc(C[N@H+](C)[C@@H]3CC[NH+](CC)[C@@H](C)C3)cc2)C[C@H]1C ZINC000533447508 931871738 /nfs/dbraw/zinc/87/17/38/931871738.db2.gz NFDOTPGOVLCRNK-CEWHCAETSA-N 4 2 414.682 4.296 20 0 HIADLP CN(C(=O)C/C=C/c1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533647912 931942958 /nfs/dbraw/zinc/94/29/58/931942958.db2.gz HKSGOPIJJQARBK-KTQBLDTLSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)C/C=C/c1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533647912 931942971 /nfs/dbraw/zinc/94/29/71/931942971.db2.gz HKSGOPIJJQARBK-KTQBLDTLSA-N 2 2 401.570 4.025 20 0 HIADLP Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)on2)cc1 ZINC000533649051 931944406 /nfs/dbraw/zinc/94/44/06/931944406.db2.gz PBNRWIBHHJLRDQ-GOTSBHOMSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)on2)cc1 ZINC000533649051 931944413 /nfs/dbraw/zinc/94/44/13/931944413.db2.gz PBNRWIBHHJLRDQ-GOTSBHOMSA-N 2 2 424.589 4.059 20 0 HIADLP CN(C(=O)Cc1cccc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648676 931944451 /nfs/dbraw/zinc/94/44/51/931944451.db2.gz IXPCLTAYXNDIGS-RPBOFIJWSA-N 2 2 407.602 4.178 20 0 HIADLP CN(C(=O)Cc1cccc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648676 931944460 /nfs/dbraw/zinc/94/44/60/931944460.db2.gz IXPCLTAYXNDIGS-RPBOFIJWSA-N 2 2 407.602 4.178 20 0 HIADLP C[C@@H]1CCc2c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)csc2C1 ZINC000533648455 931944983 /nfs/dbraw/zinc/94/49/83/931944983.db2.gz OGAVEPKYVBOTGV-VOQZNFBZSA-N 2 2 417.663 4.282 20 0 HIADLP C[C@@H]1CCc2c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)csc2C1 ZINC000533648455 931944988 /nfs/dbraw/zinc/94/49/88/931944988.db2.gz OGAVEPKYVBOTGV-VOQZNFBZSA-N 2 2 417.663 4.282 20 0 HIADLP C[C@H](SCc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360283 932393955 /nfs/dbraw/zinc/39/39/55/932393955.db2.gz MPBNZCGHXZRPER-VJBMBRPKSA-N 2 2 417.663 4.104 20 0 HIADLP C[C@H](SCc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360283 932393961 /nfs/dbraw/zinc/39/39/61/932393961.db2.gz MPBNZCGHXZRPER-VJBMBRPKSA-N 2 2 417.663 4.104 20 0 HIADLP CN(C(=O)NCc1ccc2ccccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534383785 932409502 /nfs/dbraw/zinc/40/95/02/932409502.db2.gz GKRNCAQGWKNJCX-RPBOFIJWSA-N 2 2 422.617 4.318 20 0 HIADLP CN(C(=O)NCc1ccc2ccccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534383785 932409504 /nfs/dbraw/zinc/40/95/04/932409504.db2.gz GKRNCAQGWKNJCX-RPBOFIJWSA-N 2 2 422.617 4.318 20 0 HIADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000534930967 932843368 /nfs/dbraw/zinc/84/33/68/932843368.db2.gz WVMYRJJHRUIZTN-PMACEKPBSA-N 2 2 423.001 4.150 20 0 HIADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000534930967 932843371 /nfs/dbraw/zinc/84/33/71/932843371.db2.gz WVMYRJJHRUIZTN-PMACEKPBSA-N 2 2 423.001 4.150 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)cc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534929792 932843522 /nfs/dbraw/zinc/84/35/22/932843522.db2.gz DVFVCZPZWNGIGG-PMACEKPBSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)cc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534929792 932843526 /nfs/dbraw/zinc/84/35/26/932843526.db2.gz DVFVCZPZWNGIGG-PMACEKPBSA-N 2 2 410.965 4.280 20 0 HIADLP CSc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534932360 932844220 /nfs/dbraw/zinc/84/42/20/932844220.db2.gz NUJKKCRJXYEXGM-UXHICEINSA-N 2 2 404.624 4.209 20 0 HIADLP CSc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534932360 932844223 /nfs/dbraw/zinc/84/42/23/932844223.db2.gz NUJKKCRJXYEXGM-UXHICEINSA-N 2 2 404.624 4.209 20 0 HIADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000534948654 932853386 /nfs/dbraw/zinc/85/33/86/932853386.db2.gz SDQJQOZKJFIKMR-LEWJYISDSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000534948654 932853389 /nfs/dbraw/zinc/85/33/89/932853389.db2.gz SDQJQOZKJFIKMR-LEWJYISDSA-N 2 2 407.002 4.449 20 0 HIADLP CN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094468 932907384 /nfs/dbraw/zinc/90/73/84/932907384.db2.gz HBGGQNCYOJEWNB-UXHICEINSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1ccc(Cl)cc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094468 932907391 /nfs/dbraw/zinc/90/73/91/932907391.db2.gz HBGGQNCYOJEWNB-UXHICEINSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)CCc1cc2ccccc2o1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096135 932910573 /nfs/dbraw/zinc/91/05/73/932910573.db2.gz PEULYKHARDWXHR-PKTZIBPZSA-N 2 2 411.590 4.161 20 0 HIADLP CN(C(=O)CCc1cc2ccccc2o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096135 932910585 /nfs/dbraw/zinc/91/05/85/932910585.db2.gz PEULYKHARDWXHR-PKTZIBPZSA-N 2 2 411.590 4.161 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000535095917 932910611 /nfs/dbraw/zinc/91/06/11/932910611.db2.gz LMLFEPAVLMTUAK-YFXJRYMSSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000535095917 932910615 /nfs/dbraw/zinc/91/06/15/932910615.db2.gz LMLFEPAVLMTUAK-YFXJRYMSSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000535097648 932913764 /nfs/dbraw/zinc/91/37/64/932913764.db2.gz XMYMRRZFFOMZAZ-SXSPYAJSSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000535097648 932913776 /nfs/dbraw/zinc/91/37/76/932913776.db2.gz XMYMRRZFFOMZAZ-SXSPYAJSSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000535122660 932939812 /nfs/dbraw/zinc/93/98/12/932939812.db2.gz WCGNVZHJZYILMQ-NPFVIJTESA-N 2 2 422.564 4.004 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000535122660 932939818 /nfs/dbraw/zinc/93/98/18/932939818.db2.gz WCGNVZHJZYILMQ-NPFVIJTESA-N 2 2 422.564 4.004 20 0 HIADLP Cc1sc2nc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000535571896 933247149 /nfs/dbraw/zinc/24/71/49/933247149.db2.gz GXMPXMNRMGATFX-UHFFFAOYSA-N 2 2 410.587 4.358 20 0 HIADLP Cc1sc2nc(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000535571896 933247154 /nfs/dbraw/zinc/24/71/54/933247154.db2.gz GXMPXMNRMGATFX-UHFFFAOYSA-N 2 2 410.587 4.358 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535655740 933300949 /nfs/dbraw/zinc/30/09/49/933300949.db2.gz QJGQTMFQQXPQSU-SFTDATJTSA-N 2 2 420.573 4.025 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535655740 933300958 /nfs/dbraw/zinc/30/09/58/933300958.db2.gz QJGQTMFQQXPQSU-SFTDATJTSA-N 2 2 420.573 4.025 20 0 HIADLP Fc1ccc([C@@H]2C[NH+](CCCC[N@@H+]3CCO[C@H](c4ccc(F)cc4)C3)CCO2)cc1 ZINC000535722914 933368934 /nfs/dbraw/zinc/36/89/34/933368934.db2.gz NTRZABYLTFZGOK-ZEQRLZLVSA-N 2 2 416.512 4.192 20 0 HIADLP Fc1ccc([C@@H]2C[NH+](CCCC[N@H+]3CCO[C@H](c4ccc(F)cc4)C3)CCO2)cc1 ZINC000535722914 933368945 /nfs/dbraw/zinc/36/89/45/933368945.db2.gz NTRZABYLTFZGOK-ZEQRLZLVSA-N 2 2 416.512 4.192 20 0 HIADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@H]21 ZINC000535807938 933402821 /nfs/dbraw/zinc/40/28/21/933402821.db2.gz JJIKUPBMUYOOIA-CRAIPNDOSA-N 2 2 406.393 4.489 20 0 HIADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@H]21 ZINC000535807938 933402825 /nfs/dbraw/zinc/40/28/25/933402825.db2.gz JJIKUPBMUYOOIA-CRAIPNDOSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@H]21 ZINC000535807938 933402829 /nfs/dbraw/zinc/40/28/29/933402829.db2.gz JJIKUPBMUYOOIA-CRAIPNDOSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@H]21 ZINC000535807938 933402835 /nfs/dbraw/zinc/40/28/35/933402835.db2.gz JJIKUPBMUYOOIA-CRAIPNDOSA-N 2 2 406.393 4.489 20 0 HIADLP CN(C(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848990 933430627 /nfs/dbraw/zinc/43/06/27/933430627.db2.gz JEELNPPSYZOZOB-RBUKOAKNSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848990 933430634 /nfs/dbraw/zinc/43/06/34/933430634.db2.gz JEELNPPSYZOZOB-RBUKOAKNSA-N 2 2 412.405 4.403 20 0 HIADLP Cc1nc(-c2ccco2)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850888 933433454 /nfs/dbraw/zinc/43/34/54/933433454.db2.gz UXWUPQWIYFSULU-GOTSBHOMSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1nc(-c2ccco2)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850888 933433461 /nfs/dbraw/zinc/43/34/61/933433461.db2.gz UXWUPQWIYFSULU-GOTSBHOMSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1nc(-c2ccco2)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850890 933434107 /nfs/dbraw/zinc/43/41/07/933434107.db2.gz UXWUPQWIYFSULU-XZOQPEGZSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1nc(-c2ccco2)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850890 933434110 /nfs/dbraw/zinc/43/41/10/933434110.db2.gz UXWUPQWIYFSULU-XZOQPEGZSA-N 2 2 424.589 4.059 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851654 933435616 /nfs/dbraw/zinc/43/56/16/933435616.db2.gz KHEAOSOAPVRLPF-FGZHOGPDSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851654 933435625 /nfs/dbraw/zinc/43/56/25/933435625.db2.gz KHEAOSOAPVRLPF-FGZHOGPDSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851656 933435969 /nfs/dbraw/zinc/43/59/69/933435969.db2.gz KHEAOSOAPVRLPF-YADHBBJMSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851656 933435972 /nfs/dbraw/zinc/43/59/72/933435972.db2.gz KHEAOSOAPVRLPF-YADHBBJMSA-N 2 2 406.014 4.068 20 0 HIADLP Cc1ccc2c(CC(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)coc2c1 ZINC000535853684 933436847 /nfs/dbraw/zinc/43/68/47/933436847.db2.gz DBNMLAIIMSIFAC-DHIUTWEWSA-N 2 2 411.590 4.079 20 0 HIADLP Cc1ccc2c(CC(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)coc2c1 ZINC000535853684 933436854 /nfs/dbraw/zinc/43/68/54/933436854.db2.gz DBNMLAIIMSIFAC-DHIUTWEWSA-N 2 2 411.590 4.079 20 0 HIADLP Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855522 933439182 /nfs/dbraw/zinc/43/91/82/933439182.db2.gz MIMFMJYNJVAMFW-GOTSBHOMSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855522 933439187 /nfs/dbraw/zinc/43/91/87/933439187.db2.gz MIMFMJYNJVAMFW-GOTSBHOMSA-N 2 2 410.606 4.194 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ncc(Br)s1 ZINC000535987404 933546905 /nfs/dbraw/zinc/54/69/05/933546905.db2.gz NFGQSKLABIDHRJ-ZNMIVQPWSA-N 2 2 424.408 4.366 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ncc(Br)s1 ZINC000535987404 933546927 /nfs/dbraw/zinc/54/69/27/933546927.db2.gz NFGQSKLABIDHRJ-ZNMIVQPWSA-N 2 2 424.408 4.366 20 0 HIADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000562872544 945133745 /nfs/dbraw/zinc/13/37/45/945133745.db2.gz ZEKVQGUHGUFEMW-PKOBYXMFSA-N 2 2 421.614 4.483 20 0 HIADLP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000537628941 938339765 /nfs/dbraw/zinc/33/97/65/938339765.db2.gz MVDJYDGYEFIHOO-AVRDEDQJSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000537628941 938339769 /nfs/dbraw/zinc/33/97/69/938339769.db2.gz MVDJYDGYEFIHOO-AVRDEDQJSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000537628941 938339774 /nfs/dbraw/zinc/33/97/74/938339774.db2.gz MVDJYDGYEFIHOO-AVRDEDQJSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000537628941 938339778 /nfs/dbraw/zinc/33/97/78/938339778.db2.gz MVDJYDGYEFIHOO-AVRDEDQJSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@H]1C[C@@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537940330 938425084 /nfs/dbraw/zinc/42/50/84/938425084.db2.gz FMLUBHJBJKFMRS-APAYAGTCSA-N 3 2 406.618 4.182 20 0 HIADLP C[C@H]1C[C@@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537940330 938425085 /nfs/dbraw/zinc/42/50/85/938425085.db2.gz FMLUBHJBJKFMRS-APAYAGTCSA-N 3 2 406.618 4.182 20 0 HIADLP C[C@H]1C[C@@H](CC[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000537940330 938425086 /nfs/dbraw/zinc/42/50/86/938425086.db2.gz FMLUBHJBJKFMRS-APAYAGTCSA-N 3 2 406.618 4.182 20 0 HIADLP C[C@H]1C[C@@H](CC[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000537940330 938425087 /nfs/dbraw/zinc/42/50/87/938425087.db2.gz FMLUBHJBJKFMRS-APAYAGTCSA-N 3 2 406.618 4.182 20 0 HIADLP CN1CC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537945757 938427997 /nfs/dbraw/zinc/42/79/97/938427997.db2.gz YBOSHVNPAUSDBM-HTAPYJJXSA-N 2 2 402.945 4.126 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538053806 938486939 /nfs/dbraw/zinc/48/69/39/938486939.db2.gz DSIKQFWOYNEWSJ-RTWAWAEBSA-N 2 2 424.992 4.034 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538053806 938486940 /nfs/dbraw/zinc/48/69/40/938486940.db2.gz DSIKQFWOYNEWSJ-RTWAWAEBSA-N 2 2 424.992 4.034 20 0 HIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2nc3ccccc3n2C)cc1 ZINC000538118567 938507307 /nfs/dbraw/zinc/50/73/07/938507307.db2.gz KMKCYJZRKFNQEM-UHFFFAOYSA-N 2 2 403.530 4.261 20 0 HIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2nc3ccccc3n2C)cc1 ZINC000538118567 938507310 /nfs/dbraw/zinc/50/73/10/938507310.db2.gz KMKCYJZRKFNQEM-UHFFFAOYSA-N 2 2 403.530 4.261 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4c3c(Br)ccc4F)[nH+]c2)C1 ZINC000538556392 938648624 /nfs/dbraw/zinc/64/86/24/938648624.db2.gz AOWUHZNOJVBBLE-KSSFIOAISA-N 2 2 419.342 4.223 20 0 HIADLP COC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000538590061 938656706 /nfs/dbraw/zinc/65/67/06/938656706.db2.gz FCUHAVCLGNJYGK-FQEVSTJZSA-N 2 2 422.495 4.430 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000538591051 938657109 /nfs/dbraw/zinc/65/71/09/938657109.db2.gz WSVMVFLMZMZRIT-SFHVURJKSA-N 2 2 424.593 4.315 20 0 HIADLP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720369 938690292 /nfs/dbraw/zinc/69/02/92/938690292.db2.gz VUBLNRDFLXNOGJ-OCCSQVGLSA-N 2 2 421.326 4.364 20 0 HIADLP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720369 938690295 /nfs/dbraw/zinc/69/02/95/938690295.db2.gz VUBLNRDFLXNOGJ-OCCSQVGLSA-N 2 2 421.326 4.364 20 0 HIADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720369 938690297 /nfs/dbraw/zinc/69/02/97/938690297.db2.gz VUBLNRDFLXNOGJ-OCCSQVGLSA-N 2 2 421.326 4.364 20 0 HIADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000538720369 938690299 /nfs/dbraw/zinc/69/02/99/938690299.db2.gz VUBLNRDFLXNOGJ-OCCSQVGLSA-N 2 2 421.326 4.364 20 0 HIADLP CCCn1c2ccccc2nc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538724123 938691820 /nfs/dbraw/zinc/69/18/20/938691820.db2.gz UBJIORMRYSNORE-UHFFFAOYSA-N 3 2 411.638 4.074 20 0 HIADLP CCCn1c2ccccc2nc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000538724123 938691822 /nfs/dbraw/zinc/69/18/22/938691822.db2.gz UBJIORMRYSNORE-UHFFFAOYSA-N 3 2 411.638 4.074 20 0 HIADLP CC[N@H+](Cc1c[nH]nc1-c1cccnc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538730212 938694728 /nfs/dbraw/zinc/69/47/28/938694728.db2.gz OZTJVWQQLOXNTA-UHFFFAOYSA-N 2 2 419.577 4.184 20 0 HIADLP CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538730212 938694732 /nfs/dbraw/zinc/69/47/32/938694732.db2.gz OZTJVWQQLOXNTA-UHFFFAOYSA-N 2 2 419.577 4.184 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000539819599 938943410 /nfs/dbraw/zinc/94/34/10/938943410.db2.gz MGJWFWKAMULEGA-FQEVSTJZSA-N 2 2 417.395 4.394 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000539819599 938943415 /nfs/dbraw/zinc/94/34/15/938943415.db2.gz MGJWFWKAMULEGA-FQEVSTJZSA-N 2 2 417.395 4.394 20 0 HIADLP CC[N@@H+](Cc1cccc(OC)c1OC(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539822812 938946367 /nfs/dbraw/zinc/94/63/67/938946367.db2.gz SWXGVXBTKZVYTM-UHFFFAOYSA-N 2 2 405.489 4.430 20 0 HIADLP CC[N@H+](Cc1cccc(OC)c1OC(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539822812 938946369 /nfs/dbraw/zinc/94/63/69/938946369.db2.gz SWXGVXBTKZVYTM-UHFFFAOYSA-N 2 2 405.489 4.430 20 0 HIADLP COc1sc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1Br ZINC000539830455 938950567 /nfs/dbraw/zinc/95/05/67/938950567.db2.gz XFSCAORRLVQGOM-INIZCTEOSA-N 2 2 409.393 4.473 20 0 HIADLP COc1sc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1Br ZINC000539830455 938950569 /nfs/dbraw/zinc/95/05/69/938950569.db2.gz XFSCAORRLVQGOM-INIZCTEOSA-N 2 2 409.393 4.473 20 0 HIADLP COc1sc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000539830455 938950572 /nfs/dbraw/zinc/95/05/72/938950572.db2.gz XFSCAORRLVQGOM-INIZCTEOSA-N 2 2 409.393 4.473 20 0 HIADLP COc1sc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000539830455 938950576 /nfs/dbraw/zinc/95/05/76/938950576.db2.gz XFSCAORRLVQGOM-INIZCTEOSA-N 2 2 409.393 4.473 20 0 HIADLP CC[N@H+](Cc1ccc(OC)cc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539833182 938952633 /nfs/dbraw/zinc/95/26/33/938952633.db2.gz PDYZDFJYYVORHY-UHFFFAOYSA-N 2 2 412.578 4.417 20 0 HIADLP CC[N@@H+](Cc1ccc(OC)cc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539833182 938952639 /nfs/dbraw/zinc/95/26/39/938952639.db2.gz PDYZDFJYYVORHY-UHFFFAOYSA-N 2 2 412.578 4.417 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)c(C)c1 ZINC000540146200 939090576 /nfs/dbraw/zinc/09/05/76/939090576.db2.gz AZSHOASQYCHMLH-OFVILXPXSA-N 2 2 404.558 4.429 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000540147795 939091301 /nfs/dbraw/zinc/09/13/01/939091301.db2.gz ZFAPNAWOFMUFGI-UWJYYQICSA-N 2 2 407.480 4.161 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000540147795 939091304 /nfs/dbraw/zinc/09/13/04/939091304.db2.gz ZFAPNAWOFMUFGI-UWJYYQICSA-N 2 2 407.480 4.161 20 0 HIADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)C[C@@H](C)O1 ZINC000540247737 939166297 /nfs/dbraw/zinc/16/62/97/939166297.db2.gz PBBGIONRFLWVLN-RTBURBONSA-N 2 2 421.651 4.281 20 0 HIADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+](C)CCCn3cc[nH+]c3)ccc21 ZINC000540321506 939193793 /nfs/dbraw/zinc/19/37/93/939193793.db2.gz UVQHVIXBRQNVCQ-SFHVURJKSA-N 2 2 403.530 4.360 20 0 HIADLP CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@@H+](C)CCCn3cc[nH+]c3)ccc21 ZINC000540321506 939193795 /nfs/dbraw/zinc/19/37/95/939193795.db2.gz UVQHVIXBRQNVCQ-SFHVURJKSA-N 2 2 403.530 4.360 20 0 HIADLP C[C@@H]1C[C@H]1[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(Cl)cc1 ZINC000540519136 939285518 /nfs/dbraw/zinc/28/55/18/939285518.db2.gz BDWUPODCHQNRFI-LXGCGDOSSA-N 2 2 418.994 4.318 20 0 HIADLP COc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)oc21 ZINC000540597356 939315182 /nfs/dbraw/zinc/31/51/82/939315182.db2.gz QKLYXMBJTNZPQI-SFHVURJKSA-N 2 2 410.514 4.003 20 0 HIADLP COc1cccc2cc([C@H](C)[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)oc21 ZINC000540598473 939316022 /nfs/dbraw/zinc/31/60/22/939316022.db2.gz MLUARQXQIGKAAS-SFHVURJKSA-N 2 2 410.514 4.003 20 0 HIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)c(F)c1 ZINC000540757026 939361495 /nfs/dbraw/zinc/36/14/95/939361495.db2.gz FPTDBYSKMTVIBZ-BBRMVZONSA-N 2 2 407.331 4.297 20 0 HIADLP O=C(CC[NH+]1CCCCC1)Nc1cccc(NCc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000541377453 939500523 /nfs/dbraw/zinc/50/05/23/939500523.db2.gz MBJOJMWKAYIKEL-UHFFFAOYSA-N 2 2 409.559 4.360 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@H](c3cccnc3)c3ccc(F)cc3F)[nH+]c2)CC1 ZINC000541570295 939558186 /nfs/dbraw/zinc/55/81/86/939558186.db2.gz GAFSNEXVGLYFCM-XMMPIXPASA-N 2 2 423.511 4.487 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)c2)cc[nH+]1 ZINC000541665410 939595595 /nfs/dbraw/zinc/59/55/95/939595595.db2.gz LLHXSIZSWOZBFS-SFHVURJKSA-N 2 2 417.557 4.256 20 0 HIADLP CC(C)[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1F ZINC000541916298 939652768 /nfs/dbraw/zinc/65/27/68/939652768.db2.gz FLOVWCIZCKOFHR-QFIPXVFZSA-N 2 2 417.956 4.354 20 0 HIADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000542013917 939685386 /nfs/dbraw/zinc/68/53/86/939685386.db2.gz OUDXJSIFTCTKTA-UHFFFAOYSA-N 2 2 424.515 4.015 20 0 HIADLP Cc1ccccc1[C@H](C[NH+]1CCOCC1)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000542500282 939833157 /nfs/dbraw/zinc/83/31/57/939833157.db2.gz UFQHKVMBFXHLEP-DRLORSAXSA-N 2 2 423.601 4.090 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000542667250 939852801 /nfs/dbraw/zinc/85/28/01/939852801.db2.gz HGKJRRJOQBKWII-YMPZKCBVSA-N 2 2 406.636 4.038 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000542667250 939852802 /nfs/dbraw/zinc/85/28/02/939852802.db2.gz HGKJRRJOQBKWII-YMPZKCBVSA-N 2 2 406.636 4.038 20 0 HIADLP Clc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000542677235 939853473 /nfs/dbraw/zinc/85/34/73/939853473.db2.gz GECBQLYBKYHRCH-JOCHJYFZSA-N 2 2 400.950 4.218 20 0 HIADLP CC[C@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000543062718 939916600 /nfs/dbraw/zinc/91/66/00/939916600.db2.gz ILRASUIBRWSWNX-NRFANRHFSA-N 2 2 402.970 4.296 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2cccc(C(F)F)c2Cl)([NH+]2CCCCC2)CC1 ZINC000543648663 940149541 /nfs/dbraw/zinc/14/95/41/940149541.db2.gz LYTRDLRIAFGRQU-UHFFFAOYSA-N 2 2 414.928 4.349 20 0 HIADLP C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543767532 940180233 /nfs/dbraw/zinc/18/02/33/940180233.db2.gz KNAPAMNSBYSJBB-OALUTQOASA-N 2 2 419.573 4.376 20 0 HIADLP C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543767532 940180238 /nfs/dbraw/zinc/18/02/38/940180238.db2.gz KNAPAMNSBYSJBB-OALUTQOASA-N 2 2 419.573 4.376 20 0 HIADLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000543869403 940217537 /nfs/dbraw/zinc/21/75/37/940217537.db2.gz NWYCAXDKASTGOD-GOSISDBHSA-N 2 2 411.571 4.294 20 0 HIADLP CCN1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543870644 940218383 /nfs/dbraw/zinc/21/83/83/940218383.db2.gz IWRIZGQBEGIZJE-IRLDBZIGSA-N 2 2 400.448 4.215 20 0 HIADLP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000544224928 940360241 /nfs/dbraw/zinc/36/02/41/940360241.db2.gz NIAGNQBPKXVCMO-UGKGYDQZSA-N 2 2 408.590 4.130 20 0 HIADLP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000544224928 940360242 /nfs/dbraw/zinc/36/02/42/940360242.db2.gz NIAGNQBPKXVCMO-UGKGYDQZSA-N 2 2 408.590 4.130 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000544359221 940400465 /nfs/dbraw/zinc/40/04/65/940400465.db2.gz FKUPUBCRODNGLO-AREMUKBSSA-N 2 2 418.560 4.237 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420685 940420840 /nfs/dbraw/zinc/42/08/40/940420840.db2.gz AXNZXNSFTPUBBF-TZIWHRDSSA-N 2 2 419.569 4.099 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420685 940420843 /nfs/dbraw/zinc/42/08/43/940420843.db2.gz AXNZXNSFTPUBBF-TZIWHRDSSA-N 2 2 419.569 4.099 20 0 HIADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000544504929 940459144 /nfs/dbraw/zinc/45/91/44/940459144.db2.gz JPVPIAGKNROFSM-FGZHOGPDSA-N 2 2 409.578 4.028 20 0 HIADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC3 ZINC000545189491 940555016 /nfs/dbraw/zinc/55/50/16/940555016.db2.gz RPPUZPQBJHJHLQ-IBGZPJMESA-N 2 2 400.526 4.111 20 0 HIADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)CC3 ZINC000545191632 940555279 /nfs/dbraw/zinc/55/52/79/940555279.db2.gz WGYQFCRLKOJIHW-YLJYHZDGSA-N 2 2 404.558 4.244 20 0 HIADLP CC[NH+](CC)CCOc1ccccc1-c1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000545590489 940576153 /nfs/dbraw/zinc/57/61/53/940576153.db2.gz LANKHTREECXWDR-UHFFFAOYSA-N 2 2 403.486 4.310 20 0 HIADLP CC[NH+](CC)CCOc1ccc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000545612673 940577267 /nfs/dbraw/zinc/57/72/67/940577267.db2.gz CNIVNUMRWRIFQZ-UHFFFAOYSA-N 2 2 417.513 4.369 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000564007403 945345983 /nfs/dbraw/zinc/34/59/83/945345983.db2.gz COULEEAFGMBIRI-NOOIUNMQSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000564007403 945345996 /nfs/dbraw/zinc/34/59/96/945345996.db2.gz COULEEAFGMBIRI-NOOIUNMQSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000564007403 945346009 /nfs/dbraw/zinc/34/60/09/945346009.db2.gz COULEEAFGMBIRI-NOOIUNMQSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564007403 945346021 /nfs/dbraw/zinc/34/60/21/945346021.db2.gz COULEEAFGMBIRI-NOOIUNMQSA-N 3 2 406.618 4.184 20 0 HIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)C[C@H]1c1ccccc1 ZINC000551007093 941394250 /nfs/dbraw/zinc/39/42/50/941394250.db2.gz CYTWMDNTMMRPKE-NOZRDPDXSA-N 2 2 417.553 4.465 20 0 HIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)C[C@H]1c1ccccc1 ZINC000551007093 941394254 /nfs/dbraw/zinc/39/42/54/941394254.db2.gz CYTWMDNTMMRPKE-NOZRDPDXSA-N 2 2 417.553 4.465 20 0 HIADLP COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CCN2C2CC2)c1 ZINC000551164297 941420671 /nfs/dbraw/zinc/42/06/71/941420671.db2.gz VWHGLIKQOXOEBR-ATPOPXNDSA-N 2 2 405.586 4.398 20 0 HIADLP COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CCN2C2CC2)c1 ZINC000551164297 941420674 /nfs/dbraw/zinc/42/06/74/941420674.db2.gz VWHGLIKQOXOEBR-ATPOPXNDSA-N 2 2 405.586 4.398 20 0 HIADLP Fc1cc([C@@H]2OCC[C@@H]2[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000551440373 941479855 /nfs/dbraw/zinc/47/98/55/941479855.db2.gz BLRUZUZNJRFPTD-VJBMBRPKSA-N 2 2 418.940 4.190 20 0 HIADLP Fc1cc([C@@H]2OCC[C@@H]2[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000551440373 941479857 /nfs/dbraw/zinc/47/98/57/941479857.db2.gz BLRUZUZNJRFPTD-VJBMBRPKSA-N 2 2 418.940 4.190 20 0 HIADLP C[C@@H](CC[NH+]1CCC(F)(c2cccnc2)CC1)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000551747863 941538142 /nfs/dbraw/zinc/53/81/42/941538142.db2.gz HCSZQAYWAYHNFI-FQEVSTJZSA-N 2 2 414.544 4.477 20 0 HIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Oc2ccccc2)cc1 ZINC000552098450 941584637 /nfs/dbraw/zinc/58/46/37/941584637.db2.gz DFQYFYIJMOHHOR-BHGTWAMESA-N 2 2 407.558 4.213 20 0 HIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Oc2ccccc2)cc1 ZINC000552098450 941584641 /nfs/dbraw/zinc/58/46/41/941584641.db2.gz DFQYFYIJMOHHOR-BHGTWAMESA-N 2 2 407.558 4.213 20 0 HIADLP C[C@H](c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1)[NH+]1CCOCC1 ZINC000552466771 941678633 /nfs/dbraw/zinc/67/86/33/941678633.db2.gz KIDMLHHYBWLVRW-HXUWFJFHSA-N 2 2 407.558 4.318 20 0 HIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2c(C)nc3ccccn32)cc1 ZINC000552858744 941789999 /nfs/dbraw/zinc/78/99/99/941789999.db2.gz KPVIIZASYVYUQZ-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2c(C)nc3ccccn32)cc1 ZINC000552858744 941790004 /nfs/dbraw/zinc/79/00/04/941790004.db2.gz KPVIIZASYVYUQZ-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000552931506 941805174 /nfs/dbraw/zinc/80/51/74/941805174.db2.gz PKIPXQWQRWCZMD-SJLPKXTDSA-N 2 2 403.448 4.393 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000554400529 942127463 /nfs/dbraw/zinc/12/74/63/942127463.db2.gz BADAILMXYGCEGP-UHFFFAOYSA-N 2 2 417.557 4.403 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000554400529 942127466 /nfs/dbraw/zinc/12/74/66/942127466.db2.gz BADAILMXYGCEGP-UHFFFAOYSA-N 2 2 417.557 4.403 20 0 HIADLP C[C@H](c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000554838898 942276943 /nfs/dbraw/zinc/27/69/43/942276943.db2.gz PBPJUPCPXJEMNC-UTSGNWPNSA-N 2 2 410.562 4.011 20 0 HIADLP C[C@H](c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000554838898 942276958 /nfs/dbraw/zinc/27/69/58/942276958.db2.gz PBPJUPCPXJEMNC-UTSGNWPNSA-N 2 2 410.562 4.011 20 0 HIADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000554976924 942340770 /nfs/dbraw/zinc/34/07/70/942340770.db2.gz ZMALLMQHBWKQLE-UHFFFAOYSA-N 2 2 402.542 4.141 20 0 HIADLP Cn1ccc([C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c2ccc(Cl)cc2)n1 ZINC000556609229 942914231 /nfs/dbraw/zinc/91/42/31/942914231.db2.gz WZZCJKZINBBYSB-XMMPIXPASA-N 2 2 424.976 4.426 20 0 HIADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000557038687 943001549 /nfs/dbraw/zinc/00/15/49/943001549.db2.gz WYFOQSLGDKEFAM-HXUWFJFHSA-N 2 2 413.631 4.459 20 0 HIADLP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000557038687 943001556 /nfs/dbraw/zinc/00/15/56/943001556.db2.gz WYFOQSLGDKEFAM-HXUWFJFHSA-N 2 2 413.631 4.459 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000558485550 943571696 /nfs/dbraw/zinc/57/16/96/943571696.db2.gz DQCKMIIBBVMFOG-OXJNMPFZSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000558485550 943571701 /nfs/dbraw/zinc/57/17/01/943571701.db2.gz DQCKMIIBBVMFOG-OXJNMPFZSA-N 2 2 413.363 4.097 20 0 HIADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000559617959 944017912 /nfs/dbraw/zinc/01/79/12/944017912.db2.gz COPHAEFEEMOEGV-WOJBJXKFSA-N 2 2 400.885 4.081 20 0 HIADLP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000559617959 944017925 /nfs/dbraw/zinc/01/79/25/944017925.db2.gz COPHAEFEEMOEGV-WOJBJXKFSA-N 2 2 400.885 4.081 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC000562061417 944918586 /nfs/dbraw/zinc/91/85/86/944918586.db2.gz MCEOSROYHMXWGU-OEMFJLHTSA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC000562061417 944918593 /nfs/dbraw/zinc/91/85/93/944918593.db2.gz MCEOSROYHMXWGU-OEMFJLHTSA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC000562061417 944918606 /nfs/dbraw/zinc/91/86/06/944918606.db2.gz MCEOSROYHMXWGU-OEMFJLHTSA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC000562061417 944918616 /nfs/dbraw/zinc/91/86/16/944918616.db2.gz MCEOSROYHMXWGU-OEMFJLHTSA-N 2 2 405.586 4.393 20 0 HIADLP CCc1ccc([C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[NH+](CC)CC)cc1 ZINC000562181962 945006020 /nfs/dbraw/zinc/00/60/20/945006020.db2.gz WGUMGFIFBLYMOW-DEOSSOPVSA-N 2 2 404.558 4.307 20 0 HIADLP COc1ccc(-c2cnc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)o2)cc1 ZINC000564404242 945558110 /nfs/dbraw/zinc/55/81/10/945558110.db2.gz NXNCGIALZNZRJY-FGZHOGPDSA-N 2 2 403.526 4.304 20 0 HIADLP COc1ccc(-c2cnc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)o2)cc1 ZINC000564404242 945558114 /nfs/dbraw/zinc/55/81/14/945558114.db2.gz NXNCGIALZNZRJY-FGZHOGPDSA-N 2 2 403.526 4.304 20 0 HIADLP COc1ccc(-c2cnc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)o2)cc1 ZINC000564404242 945558119 /nfs/dbraw/zinc/55/81/19/945558119.db2.gz NXNCGIALZNZRJY-FGZHOGPDSA-N 2 2 403.526 4.304 20 0 HIADLP COc1ccc(-c2cnc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)o2)cc1 ZINC000564404242 945558123 /nfs/dbraw/zinc/55/81/23/945558123.db2.gz NXNCGIALZNZRJY-FGZHOGPDSA-N 2 2 403.526 4.304 20 0 HIADLP Fc1ccc(C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C2CCOCC2)cc1 ZINC000564746103 945746248 /nfs/dbraw/zinc/74/62/48/945746248.db2.gz PIDISXMLNDSRDD-RUZDIDTESA-N 2 2 412.549 4.098 20 0 HIADLP Fc1ccc(C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C2CCOCC2)cc1 ZINC000564746103 945746251 /nfs/dbraw/zinc/74/62/51/945746251.db2.gz PIDISXMLNDSRDD-RUZDIDTESA-N 2 2 412.549 4.098 20 0 HIADLP Fc1ccc(C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CCOCC2)cc1 ZINC000564746103 945746256 /nfs/dbraw/zinc/74/62/56/945746256.db2.gz PIDISXMLNDSRDD-RUZDIDTESA-N 2 2 412.549 4.098 20 0 HIADLP Fc1ccc(C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CCOCC2)cc1 ZINC000564746103 945746263 /nfs/dbraw/zinc/74/62/63/945746263.db2.gz PIDISXMLNDSRDD-RUZDIDTESA-N 2 2 412.549 4.098 20 0 HIADLP Cc1cc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2cccc(Cl)c2)c(C)s1 ZINC000567088602 946239452 /nfs/dbraw/zinc/23/94/52/946239452.db2.gz QFIBAFRYAYIPQZ-RXVVDRJESA-N 2 2 420.022 4.285 20 0 HIADLP Cc1cc([C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2cccc(Cl)c2)c(C)s1 ZINC000567088602 946239465 /nfs/dbraw/zinc/23/94/65/946239465.db2.gz QFIBAFRYAYIPQZ-RXVVDRJESA-N 2 2 420.022 4.285 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@H](c3ccc(F)cc3)c3cccnc3)[nH+]c2)CC1 ZINC000567310312 946307275 /nfs/dbraw/zinc/30/72/75/946307275.db2.gz MTDFSYQZMMBKHN-XMMPIXPASA-N 2 2 405.521 4.348 20 0 HIADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000571334755 947600170 /nfs/dbraw/zinc/60/01/70/947600170.db2.gz RCPHTTWALGMLIO-UHFFFAOYSA-N 2 2 408.373 4.181 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323308 947884041 /nfs/dbraw/zinc/88/40/41/947884041.db2.gz BCWUKGFAIKJNJV-VQTJNVASSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323308 947884043 /nfs/dbraw/zinc/88/40/43/947884043.db2.gz BCWUKGFAIKJNJV-VQTJNVASSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323308 947884049 /nfs/dbraw/zinc/88/40/49/947884049.db2.gz BCWUKGFAIKJNJV-VQTJNVASSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323308 947884050 /nfs/dbraw/zinc/88/40/50/947884050.db2.gz BCWUKGFAIKJNJV-VQTJNVASSA-N 2 2 411.615 4.178 20 0 HIADLP CN(C(=O)Nc1cccc2cccnc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000572665021 947972973 /nfs/dbraw/zinc/97/29/73/947972973.db2.gz BMADXICRZSGCHU-VXKWHMMOSA-N 2 2 409.578 4.036 20 0 HIADLP CN(C(=O)Nc1cccc2cccnc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000572665021 947972986 /nfs/dbraw/zinc/97/29/86/947972986.db2.gz BMADXICRZSGCHU-VXKWHMMOSA-N 2 2 409.578 4.036 20 0 HIADLP O=C(Nc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1)C1CCC1 ZINC000572674088 947977409 /nfs/dbraw/zinc/97/74/09/947977409.db2.gz ZSNVXAOTRWALGA-UHFFFAOYSA-N 2 2 409.549 4.361 20 0 HIADLP CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1 ZINC000573708588 948278410 /nfs/dbraw/zinc/27/84/10/948278410.db2.gz WLTFNZKLMWKEPR-KRWDZBQOSA-N 2 2 416.591 4.063 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)c2)CC1 ZINC000574008566 948349063 /nfs/dbraw/zinc/34/90/63/948349063.db2.gz VLGGCQJRDQUVAH-UHFFFAOYSA-N 2 2 416.569 4.387 20 0 HIADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000574922551 948553619 /nfs/dbraw/zinc/55/36/19/948553619.db2.gz ZOXINZGLWAREAF-UHFFFAOYSA-N 2 2 405.468 4.481 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000575166600 948617831 /nfs/dbraw/zinc/61/78/31/948617831.db2.gz QKDZKZNPFPPBEC-FUPPJEDESA-N 2 2 423.626 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000575166600 948617835 /nfs/dbraw/zinc/61/78/35/948617835.db2.gz QKDZKZNPFPPBEC-FUPPJEDESA-N 2 2 423.626 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000575166600 948617842 /nfs/dbraw/zinc/61/78/42/948617842.db2.gz QKDZKZNPFPPBEC-FUPPJEDESA-N 2 2 423.626 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000575166600 948617856 /nfs/dbraw/zinc/61/78/56/948617856.db2.gz QKDZKZNPFPPBEC-FUPPJEDESA-N 2 2 423.626 4.038 20 0 HIADLP COc1ccc2c(cc[nH+]c2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164672157 719501053 /nfs/dbraw/zinc/50/10/53/719501053.db2.gz GGJZVZMQPQMDDQ-UHFFFAOYSA-N 2 2 421.516 4.254 20 0 HIADLP COc1ccc2c(cc[nH+]c2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164672157 719501064 /nfs/dbraw/zinc/50/10/64/719501064.db2.gz GGJZVZMQPQMDDQ-UHFFFAOYSA-N 2 2 421.516 4.254 20 0 HIADLP COc1ccc2c[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc2c1 ZINC001164698453 719895910 /nfs/dbraw/zinc/89/59/10/719895910.db2.gz TYVAZXBBRZINHD-UHFFFAOYSA-N 2 2 409.555 4.176 20 0 HIADLP COc1ccc2c[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc2c1 ZINC001164698453 719895913 /nfs/dbraw/zinc/89/59/13/719895913.db2.gz TYVAZXBBRZINHD-UHFFFAOYSA-N 2 2 409.555 4.176 20 0 HIADLP COc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccc1OCc1ccncc1 ZINC000030901858 847795609 /nfs/dbraw/zinc/79/56/09/847795609.db2.gz ZJGFFIYWUPVMHO-UHFFFAOYSA-N 2 2 414.509 4.204 20 0 HIADLP CCC[NH+]1CCC([NH2+]Cc2cc(Br)cc(Br)c2OC)CC1 ZINC000035011184 848143069 /nfs/dbraw/zinc/14/30/69/848143069.db2.gz HINNVMNVMFFGAO-UHFFFAOYSA-N 2 2 420.189 4.184 20 0 HIADLP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517143 848435072 /nfs/dbraw/zinc/43/50/72/848435072.db2.gz GPTRPDXGWLOYTH-UHFFFAOYSA-N 2 2 415.607 4.293 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000071960463 852447522 /nfs/dbraw/zinc/44/75/22/852447522.db2.gz IAWJXTBSPCUARP-NHCUHLMSSA-N 2 2 416.569 4.339 20 0 HIADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000109546753 852982023 /nfs/dbraw/zinc/98/20/23/852982023.db2.gz WIMWVFZIKBRWME-UHFFFAOYSA-N 2 2 415.622 4.306 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)C(C)C ZINC000110227571 853075953 /nfs/dbraw/zinc/07/59/53/853075953.db2.gz BZBUMGDYWGYJQF-DHZHZOJOSA-N 2 2 405.586 4.388 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)C(C)C ZINC000110227571 853075955 /nfs/dbraw/zinc/07/59/55/853075955.db2.gz BZBUMGDYWGYJQF-DHZHZOJOSA-N 2 2 405.586 4.388 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1cccc(OC)c1 ZINC000112628195 853234759 /nfs/dbraw/zinc/23/47/59/853234759.db2.gz YUUHETTYVQPVSP-QHCPKHFHSA-N 2 2 406.530 4.002 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1)C(C)C ZINC000207417512 853803164 /nfs/dbraw/zinc/80/31/64/853803164.db2.gz BZBUMGDYWGYJQF-FLIBITNWSA-N 2 2 405.586 4.388 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1)C(C)C ZINC000207417512 853803171 /nfs/dbraw/zinc/80/31/71/853803171.db2.gz BZBUMGDYWGYJQF-FLIBITNWSA-N 2 2 405.586 4.388 20 0 HIADLP Brc1cccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)o2)c1 ZINC000236667789 853909199 /nfs/dbraw/zinc/90/91/99/853909199.db2.gz MHWOSQJOCWTXKB-INIZCTEOSA-N 2 2 419.363 4.300 20 0 HIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(OCc4ccccn4)c3)CC2)cc1 ZINC000237179125 853976342 /nfs/dbraw/zinc/97/63/42/853976342.db2.gz XOUJUHGYSLAZAD-UHFFFAOYSA-N 2 2 416.569 4.485 20 0 HIADLP COc1ccc([C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCCCC2)cc1 ZINC000237352962 854011636 /nfs/dbraw/zinc/01/16/36/854011636.db2.gz MBYOWNILQWFVNT-SANMLTNESA-N 2 2 407.602 4.476 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000237394110 854021266 /nfs/dbraw/zinc/02/12/66/854021266.db2.gz MDLXJTBTHYCCCE-QGZVFWFLSA-N 2 2 410.493 4.201 20 0 HIADLP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000237713180 854080775 /nfs/dbraw/zinc/08/07/75/854080775.db2.gz WRGKFKXAQUNLKC-QFIPXVFZSA-N 2 2 411.933 4.432 20 0 HIADLP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCN1c1ccccc1Cl ZINC000237909372 854117786 /nfs/dbraw/zinc/11/77/86/854117786.db2.gz BMJFGWPXKSIXRL-JOCHJYFZSA-N 2 2 411.977 4.132 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000301130339 854306357 /nfs/dbraw/zinc/30/63/57/854306357.db2.gz XMNJZORWUWSEIP-IBGZPJMESA-N 2 2 421.614 4.485 20 0 HIADLP Cc1c2cc(Cl)ccc2oc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000303974471 855331522 /nfs/dbraw/zinc/33/15/22/855331522.db2.gz VAYVZOBVBLWERL-UHFFFAOYSA-N 2 2 403.954 4.075 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657510 855425114 /nfs/dbraw/zinc/42/51/14/855425114.db2.gz TUFYWOLUUXTGGH-OXQOHEQNSA-N 2 2 416.363 4.030 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657510 855425120 /nfs/dbraw/zinc/42/51/20/855425120.db2.gz TUFYWOLUUXTGGH-OXQOHEQNSA-N 2 2 416.363 4.030 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cccc(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379654759 855425626 /nfs/dbraw/zinc/42/56/26/855425626.db2.gz JMVVKDCKZIEQJL-APWZRJJASA-N 2 2 416.363 4.030 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cccc(Br)c2)CC[N@H+]1Cc1ccccc1 ZINC000379654759 855425633 /nfs/dbraw/zinc/42/56/33/855425633.db2.gz JMVVKDCKZIEQJL-APWZRJJASA-N 2 2 416.363 4.030 20 0 HIADLP COc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000386024173 855441798 /nfs/dbraw/zinc/44/17/98/855441798.db2.gz XEBSCTNMIQAJNT-NRFANRHFSA-N 2 2 403.364 4.460 20 0 HIADLP COc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000386024173 855441801 /nfs/dbraw/zinc/44/18/01/855441801.db2.gz XEBSCTNMIQAJNT-NRFANRHFSA-N 2 2 403.364 4.460 20 0 HIADLP CC[N@@H+]1CCc2nc(NC(=O)c3cccc(C[NH+](C)Cc4ccccc4)c3)sc2C1 ZINC000409746795 855632994 /nfs/dbraw/zinc/63/29/94/855632994.db2.gz LVOYAWSFAGCXSL-UHFFFAOYSA-N 2 2 420.582 4.405 20 0 HIADLP CC[N@H+]1CCc2nc(NC(=O)c3cccc(C[NH+](C)Cc4ccccc4)c3)sc2C1 ZINC000409746795 855632997 /nfs/dbraw/zinc/63/29/97/855632997.db2.gz LVOYAWSFAGCXSL-UHFFFAOYSA-N 2 2 420.582 4.405 20 0 HIADLP CC[NH+]1CCc2nc(NC(=O)c3cccc(C[N@H+](C)Cc4ccccc4)c3)sc2C1 ZINC000409746795 855633003 /nfs/dbraw/zinc/63/30/03/855633003.db2.gz LVOYAWSFAGCXSL-UHFFFAOYSA-N 2 2 420.582 4.405 20 0 HIADLP CC[NH+]1CCc2nc(NC(=O)c3cccc(C[N@@H+](C)Cc4ccccc4)c3)sc2C1 ZINC000409746795 855633008 /nfs/dbraw/zinc/63/30/08/855633008.db2.gz LVOYAWSFAGCXSL-UHFFFAOYSA-N 2 2 420.582 4.405 20 0 HIADLP CN(C(=O)CC1CC(c2ccccc2)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409855108 855689782 /nfs/dbraw/zinc/68/97/82/855689782.db2.gz UVGMJQMRGUULMW-KQSOVEGDSA-N 2 2 411.634 4.366 20 0 HIADLP CN(C(=O)CC1CC(c2ccccc2)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409855108 855689789 /nfs/dbraw/zinc/68/97/89/855689789.db2.gz UVGMJQMRGUULMW-KQSOVEGDSA-N 2 2 411.634 4.366 20 0 HIADLP CC1(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000410275195 855895773 /nfs/dbraw/zinc/89/57/73/855895773.db2.gz IECYDHCWAXWQOM-JOCHJYFZSA-N 2 2 420.601 4.228 20 0 HIADLP O[C@]1(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000426035986 856061954 /nfs/dbraw/zinc/06/19/54/856061954.db2.gz LSEMMPKGQPGUEZ-RPBOFIJWSA-N 2 2 421.972 4.245 20 0 HIADLP O[C@]1(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000426035986 856061968 /nfs/dbraw/zinc/06/19/68/856061968.db2.gz LSEMMPKGQPGUEZ-RPBOFIJWSA-N 2 2 421.972 4.245 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426035744 856062562 /nfs/dbraw/zinc/06/25/62/856062562.db2.gz NOXDDVGXUNZJSB-WNXIRNOKSA-N 2 2 423.605 4.169 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000426035744 856062569 /nfs/dbraw/zinc/06/25/69/856062569.db2.gz NOXDDVGXUNZJSB-WNXIRNOKSA-N 2 2 423.605 4.169 20 0 HIADLP C[C@H](CCCC(F)(F)F)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000426078617 856091692 /nfs/dbraw/zinc/09/16/92/856091692.db2.gz JZSYTLMDIGALSS-NEWSRXKRSA-N 2 2 420.564 4.086 20 0 HIADLP C[C@H](CCCC(F)(F)F)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000426078617 856091697 /nfs/dbraw/zinc/09/16/97/856091697.db2.gz JZSYTLMDIGALSS-NEWSRXKRSA-N 2 2 420.564 4.086 20 0 HIADLP C[C@H](CCCC(F)(F)F)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000426078618 856092184 /nfs/dbraw/zinc/09/21/84/856092184.db2.gz JZSYTLMDIGALSS-NZSAHSFTSA-N 2 2 420.564 4.086 20 0 HIADLP C[C@H](CCCC(F)(F)F)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000426078618 856092192 /nfs/dbraw/zinc/09/21/92/856092192.db2.gz JZSYTLMDIGALSS-NZSAHSFTSA-N 2 2 420.564 4.086 20 0 HIADLP COCC[N@@H+](Cc1ccc(Br)s1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426377131 856265860 /nfs/dbraw/zinc/26/58/60/856265860.db2.gz BGNRVARGPAFLTH-UHFFFAOYSA-N 2 2 412.378 4.406 20 0 HIADLP COCC[N@H+](Cc1ccc(Br)s1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426377131 856265867 /nfs/dbraw/zinc/26/58/67/856265867.db2.gz BGNRVARGPAFLTH-UHFFFAOYSA-N 2 2 412.378 4.406 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000428247345 857125188 /nfs/dbraw/zinc/12/51/88/857125188.db2.gz NGFJJCMOPKYBAE-LJQANCHMSA-N 2 2 406.496 4.258 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cn2)cc1 ZINC000428247345 857125194 /nfs/dbraw/zinc/12/51/94/857125194.db2.gz NGFJJCMOPKYBAE-LJQANCHMSA-N 2 2 406.496 4.258 20 0 HIADLP CC(C)O[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000428409275 857194802 /nfs/dbraw/zinc/19/48/02/857194802.db2.gz MBNVSZISWORPGX-UKILVPOCSA-N 2 2 422.617 4.082 20 0 HIADLP CC(C)O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccccc1 ZINC000428409275 857194808 /nfs/dbraw/zinc/19/48/08/857194808.db2.gz MBNVSZISWORPGX-UKILVPOCSA-N 2 2 422.617 4.082 20 0 HIADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]Cc3ccc(OCc4ccncc4)cc3)C2)cc1 ZINC000428534044 857248171 /nfs/dbraw/zinc/24/81/71/857248171.db2.gz JQAHYDPXCMRNCI-AREMUKBSSA-N 2 2 417.553 4.041 20 0 HIADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]Cc3ccc(OCc4ccncc4)cc3)C2)cc1 ZINC000428534044 857248181 /nfs/dbraw/zinc/24/81/81/857248181.db2.gz JQAHYDPXCMRNCI-AREMUKBSSA-N 2 2 417.553 4.041 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000428767040 857326316 /nfs/dbraw/zinc/32/63/16/857326316.db2.gz JNJHLVWQZZFMFZ-BGYRXZFFSA-N 2 2 423.605 4.039 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)Cc3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000428767040 857326319 /nfs/dbraw/zinc/32/63/19/857326319.db2.gz JNJHLVWQZZFMFZ-BGYRXZFFSA-N 2 2 423.605 4.039 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000437591973 862906100 /nfs/dbraw/zinc/90/61/00/862906100.db2.gz PYCNZBBITSNRNG-OAQYLSRUSA-N 2 2 405.498 4.155 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000437591973 862906122 /nfs/dbraw/zinc/90/61/22/862906122.db2.gz PYCNZBBITSNRNG-OAQYLSRUSA-N 2 2 405.498 4.155 20 0 HIADLP CSc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428955294 857433157 /nfs/dbraw/zinc/43/31/57/857433157.db2.gz UNHZIJLTAYZWTR-INIZCTEOSA-N 2 2 418.632 4.386 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000429255084 857576638 /nfs/dbraw/zinc/57/66/38/857576638.db2.gz OVPSSOJVYFTULZ-UHFFFAOYSA-N 2 2 416.875 4.468 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000429255084 857576644 /nfs/dbraw/zinc/57/66/44/857576644.db2.gz OVPSSOJVYFTULZ-UHFFFAOYSA-N 2 2 416.875 4.468 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429414865 857654281 /nfs/dbraw/zinc/65/42/81/857654281.db2.gz GUALLVHTMHADKM-SJORKVTESA-N 2 2 414.347 4.137 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c2cccs2)cc1 ZINC000429797925 857887995 /nfs/dbraw/zinc/88/79/95/857887995.db2.gz DYDGNGKBNKSJIE-JLGINSKQSA-N 2 2 413.631 4.178 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c2cccs2)cc1 ZINC000429797925 857888008 /nfs/dbraw/zinc/88/80/08/857888008.db2.gz DYDGNGKBNKSJIE-JLGINSKQSA-N 2 2 413.631 4.178 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c2cccs2)cc1 ZINC000429797925 857888019 /nfs/dbraw/zinc/88/80/19/857888019.db2.gz DYDGNGKBNKSJIE-JLGINSKQSA-N 2 2 413.631 4.178 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c2cccs2)cc1 ZINC000429797925 857888031 /nfs/dbraw/zinc/88/80/31/857888031.db2.gz DYDGNGKBNKSJIE-JLGINSKQSA-N 2 2 413.631 4.178 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cccs1 ZINC000429944305 857961045 /nfs/dbraw/zinc/96/10/45/857961045.db2.gz OHNWQLZEEYNEHZ-LJQANCHMSA-N 2 2 409.559 4.372 20 0 HIADLP Cc1ccc(-c2cc(C[N@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)on2)cc1 ZINC000430915266 858369212 /nfs/dbraw/zinc/36/92/12/858369212.db2.gz PDYQFTGDBMWVNT-UHFFFAOYSA-N 3 2 410.606 4.278 20 0 HIADLP Cc1ccc(-c2cc(C[N@@H+](C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)on2)cc1 ZINC000430915266 858369228 /nfs/dbraw/zinc/36/92/28/858369228.db2.gz PDYQFTGDBMWVNT-UHFFFAOYSA-N 3 2 410.606 4.278 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(-c2ccccc2F)o1 ZINC000430954970 858381381 /nfs/dbraw/zinc/38/13/81/858381381.db2.gz KVTJXTJPYLGADV-UHFFFAOYSA-N 3 2 414.569 4.109 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(-c2ccccc2F)o1 ZINC000430954970 858381386 /nfs/dbraw/zinc/38/13/86/858381386.db2.gz KVTJXTJPYLGADV-UHFFFAOYSA-N 3 2 414.569 4.109 20 0 HIADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000431325061 858566060 /nfs/dbraw/zinc/56/60/60/858566060.db2.gz YZWRMGBSZKDKBE-QFIPXVFZSA-N 2 2 400.950 4.484 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C(F)(F)F)s1 ZINC000432729060 859323367 /nfs/dbraw/zinc/32/33/67/859323367.db2.gz FJBHWMXNXINORK-UHFFFAOYSA-N 3 2 403.558 4.395 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C(F)(F)F)s1 ZINC000432729060 859323378 /nfs/dbraw/zinc/32/33/78/859323378.db2.gz FJBHWMXNXINORK-UHFFFAOYSA-N 3 2 403.558 4.395 20 0 HIADLP Cc1cccc(Cl)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000467678404 881471213 /nfs/dbraw/zinc/47/12/13/881471213.db2.gz WLHVEHDQRVWRQX-WOJBJXKFSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cccc(Cl)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467678404 881471224 /nfs/dbraw/zinc/47/12/24/881471224.db2.gz WLHVEHDQRVWRQX-WOJBJXKFSA-N 2 2 407.002 4.449 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434003125 860031456 /nfs/dbraw/zinc/03/14/56/860031456.db2.gz RLLBFFWAWYIBBG-HSZRJFAPSA-N 2 2 423.605 4.192 20 0 HIADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434682735 860458031 /nfs/dbraw/zinc/45/80/31/860458031.db2.gz DFHDROYPDFVLRB-CVDCTZTESA-N 2 2 408.590 4.445 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccccc1C(F)(F)F ZINC000434689298 860463264 /nfs/dbraw/zinc/46/32/64/860463264.db2.gz ACEJWSQAGPFCFA-UHFFFAOYSA-N 2 2 406.452 4.056 20 0 HIADLP Brc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc2c1OCO2 ZINC000434690849 860464519 /nfs/dbraw/zinc/46/45/19/860464519.db2.gz KURNIUXXCKIGAM-UHFFFAOYSA-N 2 2 418.335 4.090 20 0 HIADLP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccs1 ZINC000434692013 860464830 /nfs/dbraw/zinc/46/48/30/860464830.db2.gz VNNOFNSNERNYBB-OAQYLSRUSA-N 2 2 414.619 4.364 20 0 HIADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(Cl)c1 ZINC000434692702 860465053 /nfs/dbraw/zinc/46/50/53/860465053.db2.gz HWQCFLYJGMTXOJ-INIZCTEOSA-N 2 2 400.954 4.388 20 0 HIADLP Cc1cccc(COc2cccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2)c1 ZINC000438152933 863573425 /nfs/dbraw/zinc/57/34/25/863573425.db2.gz NNBTWSZXJODPPP-UHFFFAOYSA-N 2 2 424.589 4.064 20 0 HIADLP Cc1cccc(COc2cccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2)c1 ZINC000438152933 863573442 /nfs/dbraw/zinc/57/34/42/863573442.db2.gz NNBTWSZXJODPPP-UHFFFAOYSA-N 2 2 424.589 4.064 20 0 HIADLP Cc1c(CSC(C)C)cccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000438459660 863883117 /nfs/dbraw/zinc/88/31/17/863883117.db2.gz KOWMVYUYHODNOM-UHFFFAOYSA-N 2 2 406.640 4.126 20 0 HIADLP Cc1c(CSC(C)C)cccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000438459660 863883121 /nfs/dbraw/zinc/88/31/21/863883121.db2.gz KOWMVYUYHODNOM-UHFFFAOYSA-N 2 2 406.640 4.126 20 0 HIADLP Cc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000438554455 863986313 /nfs/dbraw/zinc/98/63/13/863986313.db2.gz ORUCTYFUIATXPK-UHFFFAOYSA-N 2 2 412.500 4.086 20 0 HIADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000439596858 864918710 /nfs/dbraw/zinc/91/87/10/864918710.db2.gz OVQCMOCPPUNYHZ-DEOSSOPVSA-N 2 2 403.526 4.021 20 0 HIADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000439596858 864918717 /nfs/dbraw/zinc/91/87/17/864918717.db2.gz OVQCMOCPPUNYHZ-DEOSSOPVSA-N 2 2 403.526 4.021 20 0 HIADLP CC(C)C[C@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468003731 881844943 /nfs/dbraw/zinc/84/49/43/881844943.db2.gz ITIVTVNAQOTDHD-NFBKMPQASA-N 2 2 423.605 4.115 20 0 HIADLP C[N@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440462490 865766282 /nfs/dbraw/zinc/76/62/82/865766282.db2.gz WETXWGPHWZQOET-AHWVRZQESA-N 2 2 408.586 4.038 20 0 HIADLP C[N@@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440462490 865766289 /nfs/dbraw/zinc/76/62/89/865766289.db2.gz WETXWGPHWZQOET-AHWVRZQESA-N 2 2 408.586 4.038 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000440814856 865931305 /nfs/dbraw/zinc/93/13/05/865931305.db2.gz FXWGQFBNENDIPI-NZQKXSOJSA-N 2 2 411.594 4.053 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000440814856 865931315 /nfs/dbraw/zinc/93/13/15/865931315.db2.gz FXWGQFBNENDIPI-NZQKXSOJSA-N 2 2 411.594 4.053 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000440814855 865931547 /nfs/dbraw/zinc/93/15/47/865931547.db2.gz FXWGQFBNENDIPI-NFBKMPQASA-N 2 2 411.594 4.053 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000440814855 865931556 /nfs/dbraw/zinc/93/15/56/865931556.db2.gz FXWGQFBNENDIPI-NFBKMPQASA-N 2 2 411.594 4.053 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c(C)c1 ZINC000441368514 866437688 /nfs/dbraw/zinc/43/76/88/866437688.db2.gz BIQIWAXYQMZWRT-HFMPRLQTSA-N 2 2 404.558 4.139 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCc2ccccc2Cl)c(C)c1 ZINC000441379428 866450065 /nfs/dbraw/zinc/45/00/65/866450065.db2.gz GKLXOOHDNHNMAQ-GCJKJVERSA-N 2 2 410.949 4.189 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)c1 ZINC000441381786 866452321 /nfs/dbraw/zinc/45/23/21/866452321.db2.gz JPAMGQYHPYEGSA-NHCUHLMSSA-N 2 2 408.933 4.290 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398854 866473536 /nfs/dbraw/zinc/47/35/36/866473536.db2.gz CYBHKFLHUHLNAR-MZFHRINRSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398854 866473547 /nfs/dbraw/zinc/47/35/47/866473547.db2.gz CYBHKFLHUHLNAR-MZFHRINRSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398854 866473557 /nfs/dbraw/zinc/47/35/57/866473557.db2.gz CYBHKFLHUHLNAR-MZFHRINRSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398854 866473568 /nfs/dbraw/zinc/47/35/68/866473568.db2.gz CYBHKFLHUHLNAR-MZFHRINRSA-N 2 2 405.586 4.354 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401351 866475638 /nfs/dbraw/zinc/47/56/38/866475638.db2.gz MGHCINRITXPMFR-WIOPSUGQSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401351 866475644 /nfs/dbraw/zinc/47/56/44/866475644.db2.gz MGHCINRITXPMFR-WIOPSUGQSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401351 866475649 /nfs/dbraw/zinc/47/56/49/866475649.db2.gz MGHCINRITXPMFR-WIOPSUGQSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401351 866475660 /nfs/dbraw/zinc/47/56/60/866475660.db2.gz MGHCINRITXPMFR-WIOPSUGQSA-N 2 2 403.570 4.169 20 0 HIADLP CN(C(=O)Nc1nc(C2CCC2)cs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000442039352 867080089 /nfs/dbraw/zinc/08/00/89/867080089.db2.gz AWXUOOMFWWURBC-VQTJNVASSA-N 2 2 419.639 4.212 20 0 HIADLP CN(C(=O)Nc1nc(C2CCC2)cs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000442039352 867080101 /nfs/dbraw/zinc/08/01/01/867080101.db2.gz AWXUOOMFWWURBC-VQTJNVASSA-N 2 2 419.639 4.212 20 0 HIADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000442899881 867730781 /nfs/dbraw/zinc/73/07/81/867730781.db2.gz RAIBWEPTUFAXKM-NRFANRHFSA-N 2 2 421.585 4.028 20 0 HIADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000442899881 867730790 /nfs/dbraw/zinc/73/07/90/867730790.db2.gz RAIBWEPTUFAXKM-NRFANRHFSA-N 2 2 421.585 4.028 20 0 HIADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000443001898 867787734 /nfs/dbraw/zinc/78/77/34/867787734.db2.gz QQGQHWGJIMJAKB-UHFFFAOYSA-N 2 2 408.464 4.015 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccco1 ZINC000444569685 868885922 /nfs/dbraw/zinc/88/59/22/868885922.db2.gz FZMKIGMICILDSC-UWJYYQICSA-N 2 2 409.534 4.217 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444790576 869006214 /nfs/dbraw/zinc/00/62/14/869006214.db2.gz ITEYTMQZPWHYJG-MOPGFXCFSA-N 2 2 404.514 4.419 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444790576 869006230 /nfs/dbraw/zinc/00/62/30/869006230.db2.gz ITEYTMQZPWHYJG-MOPGFXCFSA-N 2 2 404.514 4.419 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444795081 869010196 /nfs/dbraw/zinc/01/01/96/869010196.db2.gz LRWUNTZZHIMELE-OFNKIYASSA-N 2 2 418.541 4.378 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444795081 869010208 /nfs/dbraw/zinc/01/02/08/869010208.db2.gz LRWUNTZZHIMELE-OFNKIYASSA-N 2 2 418.541 4.378 20 0 HIADLP CCC(CC)(CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000444988509 869145903 /nfs/dbraw/zinc/14/59/03/869145903.db2.gz PVINILCSHNOYFX-FPOVZHCZSA-N 2 2 411.594 4.219 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2C)cc1 ZINC000468395858 882339174 /nfs/dbraw/zinc/33/91/74/882339174.db2.gz RYKOJKNIAJZFHV-BWKNWUBXSA-N 2 2 408.590 4.006 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2C)cc1 ZINC000468395858 882339195 /nfs/dbraw/zinc/33/91/95/882339195.db2.gz RYKOJKNIAJZFHV-BWKNWUBXSA-N 2 2 408.590 4.006 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2C)cc1 ZINC000468395858 882339222 /nfs/dbraw/zinc/33/92/22/882339222.db2.gz RYKOJKNIAJZFHV-BWKNWUBXSA-N 2 2 408.590 4.006 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2C)cc1 ZINC000468395858 882339243 /nfs/dbraw/zinc/33/92/43/882339243.db2.gz RYKOJKNIAJZFHV-BWKNWUBXSA-N 2 2 408.590 4.006 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000447847232 871769011 /nfs/dbraw/zinc/76/90/11/871769011.db2.gz YZILJFFYTVSSKL-GOSISDBHSA-N 2 2 407.537 4.209 20 0 HIADLP C[NH+]1CCC(CNC(=O)CSc2ccc(C(C)(C)C)cc2)([NH+]2CCCCC2)CC1 ZINC000460500607 873186740 /nfs/dbraw/zinc/18/67/40/873186740.db2.gz CQBHLWANJAPMTD-UHFFFAOYSA-N 2 2 417.663 4.143 20 0 HIADLP C[C@H]1C[C@H]([NH2+]Cc2cn3cc(Br)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000463074039 876106473 /nfs/dbraw/zinc/10/64/73/876106473.db2.gz NVFMCZAVLFSPGV-QFBILLFUSA-N 2 2 413.363 4.240 20 0 HIADLP C[C@H]1C[C@H]([NH2+]Cc2cn3cc(Br)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000463074039 876106479 /nfs/dbraw/zinc/10/64/79/876106479.db2.gz NVFMCZAVLFSPGV-QFBILLFUSA-N 2 2 413.363 4.240 20 0 HIADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463136884 876186328 /nfs/dbraw/zinc/18/63/28/876186328.db2.gz MXQRDPHHYOJBON-UHFFFAOYSA-N 2 2 406.549 4.425 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)Cc1ccccc1 ZINC000463700594 876820360 /nfs/dbraw/zinc/82/03/60/876820360.db2.gz UKGKJGNZRUGOEO-HSZRJFAPSA-N 2 2 417.557 4.181 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)Cc1ccccc1 ZINC000463700596 876820590 /nfs/dbraw/zinc/82/05/90/876820590.db2.gz UKGKJGNZRUGOEO-QHCPKHFHSA-N 2 2 417.557 4.181 20 0 HIADLP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)C2=O)ccc1Br ZINC000464066861 877213654 /nfs/dbraw/zinc/21/36/54/877213654.db2.gz IPIFDRUPTBHSCE-IBGZPJMESA-N 2 2 422.411 4.105 20 0 HIADLP CC[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804094 878047834 /nfs/dbraw/zinc/04/78/34/878047834.db2.gz CNNJNQKPZJJDHY-UHFFFAOYSA-N 2 2 415.585 4.495 20 0 HIADLP CC[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804094 878047855 /nfs/dbraw/zinc/04/78/55/878047855.db2.gz CNNJNQKPZJJDHY-UHFFFAOYSA-N 2 2 415.585 4.495 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464838507 878103210 /nfs/dbraw/zinc/10/32/10/878103210.db2.gz NKELHTVWLIYQCO-WIOPSUGQSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464838507 878103218 /nfs/dbraw/zinc/10/32/18/878103218.db2.gz NKELHTVWLIYQCO-WIOPSUGQSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464838507 878103228 /nfs/dbraw/zinc/10/32/28/878103228.db2.gz NKELHTVWLIYQCO-WIOPSUGQSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464838507 878103234 /nfs/dbraw/zinc/10/32/34/878103234.db2.gz NKELHTVWLIYQCO-WIOPSUGQSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000464839349 878104948 /nfs/dbraw/zinc/10/49/48/878104948.db2.gz XVCRENLOTNXCLY-ONTIZHBOSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000464839349 878104972 /nfs/dbraw/zinc/10/49/72/878104972.db2.gz XVCRENLOTNXCLY-ONTIZHBOSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000464839349 878104988 /nfs/dbraw/zinc/10/49/88/878104988.db2.gz XVCRENLOTNXCLY-ONTIZHBOSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000464839349 878104995 /nfs/dbraw/zinc/10/49/95/878104995.db2.gz XVCRENLOTNXCLY-ONTIZHBOSA-N 2 2 419.569 4.452 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844558 878115862 /nfs/dbraw/zinc/11/58/62/878115862.db2.gz BDVNSHGUHRROBD-RBBKRZOGSA-N 2 2 411.615 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844558 878115873 /nfs/dbraw/zinc/11/58/73/878115873.db2.gz BDVNSHGUHRROBD-RBBKRZOGSA-N 2 2 411.615 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844558 878115879 /nfs/dbraw/zinc/11/58/79/878115879.db2.gz BDVNSHGUHRROBD-RBBKRZOGSA-N 2 2 411.615 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844558 878115882 /nfs/dbraw/zinc/11/58/82/878115882.db2.gz BDVNSHGUHRROBD-RBBKRZOGSA-N 2 2 411.615 4.038 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H](c2ccco2)C1 ZINC000464850152 878127193 /nfs/dbraw/zinc/12/71/93/878127193.db2.gz LTSDKVJXFRECHC-NQIIRXRSSA-N 2 2 413.587 4.240 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H](c2ccco2)C1 ZINC000464850152 878127201 /nfs/dbraw/zinc/12/72/01/878127201.db2.gz LTSDKVJXFRECHC-NQIIRXRSSA-N 2 2 413.587 4.240 20 0 HIADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000464876255 878165489 /nfs/dbraw/zinc/16/54/89/878165489.db2.gz NSENNERILATNJP-QHCPKHFHSA-N 2 2 417.956 4.101 20 0 HIADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000464876255 878165492 /nfs/dbraw/zinc/16/54/92/878165492.db2.gz NSENNERILATNJP-QHCPKHFHSA-N 2 2 417.956 4.101 20 0 HIADLP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000465485045 878925181 /nfs/dbraw/zinc/92/51/81/878925181.db2.gz XFQMOFROLRHIOZ-HXUWFJFHSA-N 2 2 407.002 4.041 20 0 HIADLP C[NH+]1CCC(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000465550652 879014030 /nfs/dbraw/zinc/01/40/30/879014030.db2.gz VALVNHBWHMTFBC-OAQYLSRUSA-N 2 2 400.611 4.023 20 0 HIADLP CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503430447 912428836 /nfs/dbraw/zinc/42/88/36/912428836.db2.gz CWATYLRZMCICNY-UGKGYDQZSA-N 2 2 411.590 4.136 20 0 HIADLP CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503430447 912428849 /nfs/dbraw/zinc/42/88/49/912428849.db2.gz CWATYLRZMCICNY-UGKGYDQZSA-N 2 2 411.590 4.136 20 0 HIADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)([NH+]2CCCCC2)CC1 ZINC000465776566 879379455 /nfs/dbraw/zinc/37/94/55/879379455.db2.gz DHAIDOQJTYWSJL-JOCHJYFZSA-N 2 2 412.622 4.049 20 0 HIADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000466145957 879854814 /nfs/dbraw/zinc/85/48/14/879854814.db2.gz NRZPJMCHYNGRBW-OAQYLSRUSA-N 2 2 419.013 4.137 20 0 HIADLP Cc1cc(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)n1CCc1ccc(F)cc1 ZINC000467132225 880880838 /nfs/dbraw/zinc/88/08/38/880880838.db2.gz SGRHCRZFEPAFIW-UHFFFAOYSA-N 2 2 408.521 4.272 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)NCCNc1cccc(C)[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000469570829 883818863 /nfs/dbraw/zinc/81/88/63/883818863.db2.gz NBYCCBASGCKWTC-LJQANCHMSA-N 2 2 408.468 4.020 20 0 HIADLP CC[N@H+](CCOCC(F)(F)C(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000469729733 883889452 /nfs/dbraw/zinc/88/94/52/883889452.db2.gz UQHCSFSHHCCPFO-UHFFFAOYSA-N 2 2 420.495 4.116 20 0 HIADLP CC[N@@H+](CCOCC(F)(F)C(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000469729733 883889459 /nfs/dbraw/zinc/88/94/59/883889459.db2.gz UQHCSFSHHCCPFO-UHFFFAOYSA-N 2 2 420.495 4.116 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000469758905 883924160 /nfs/dbraw/zinc/92/41/60/883924160.db2.gz TXTQHKNUQKQQAI-ROUUACIJSA-N 2 2 422.598 4.005 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2csc(-c3cccc(OC)c3)n2)[C@H](C)C1 ZINC000469761472 883928202 /nfs/dbraw/zinc/92/82/02/883928202.db2.gz ADQIXSURWROBPB-UTKZUKDTSA-N 2 2 403.592 4.045 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2csc(-c3cccc(OC)c3)n2)[C@H](C)C1 ZINC000469761472 883928210 /nfs/dbraw/zinc/92/82/10/883928210.db2.gz ADQIXSURWROBPB-UTKZUKDTSA-N 2 2 403.592 4.045 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000469762589 883929985 /nfs/dbraw/zinc/92/99/85/883929985.db2.gz DLQQLTLQYGQGOE-ROUUACIJSA-N 2 2 423.992 4.382 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000469766500 883938167 /nfs/dbraw/zinc/93/81/67/883938167.db2.gz XIBPAKAEJGJIGY-OFNKIYASSA-N 2 2 409.578 4.052 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469787359 883960650 /nfs/dbraw/zinc/96/06/50/883960650.db2.gz OMDKJWLIDSVKQD-VOQZNFBZSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469787359 883960664 /nfs/dbraw/zinc/96/06/64/883960664.db2.gz OMDKJWLIDSVKQD-VOQZNFBZSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469787359 883960679 /nfs/dbraw/zinc/96/06/79/883960679.db2.gz OMDKJWLIDSVKQD-VOQZNFBZSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469787359 883960697 /nfs/dbraw/zinc/96/06/97/883960697.db2.gz OMDKJWLIDSVKQD-VOQZNFBZSA-N 2 2 420.523 4.203 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471175401 885737173 /nfs/dbraw/zinc/73/71/73/885737173.db2.gz DMMADFBURSKFHB-KNQAVFIVSA-N 2 2 404.514 4.368 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471175401 885737179 /nfs/dbraw/zinc/73/71/79/885737179.db2.gz DMMADFBURSKFHB-KNQAVFIVSA-N 2 2 404.514 4.368 20 0 HIADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1ccccc1C(F)(F)F ZINC000471898466 886681029 /nfs/dbraw/zinc/68/10/29/886681029.db2.gz KIEOUYVMLPQPPQ-LJQANCHMSA-N 2 2 409.496 4.197 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C(F)(F)F)o1 ZINC000472002256 886827386 /nfs/dbraw/zinc/82/73/86/886827386.db2.gz LGQAADLCXYKWQP-QZTJIDSGSA-N 2 2 415.500 4.016 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C(F)(F)F)o1 ZINC000472002256 886827389 /nfs/dbraw/zinc/82/73/89/886827389.db2.gz LGQAADLCXYKWQP-QZTJIDSGSA-N 2 2 415.500 4.016 20 0 HIADLP Clc1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000472066550 886873364 /nfs/dbraw/zinc/87/33/64/886873364.db2.gz VLBSJXOZJGDXAU-UHFFFAOYSA-N 2 2 412.990 4.409 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)n2)C1 ZINC000473449542 888173071 /nfs/dbraw/zinc/17/30/71/888173071.db2.gz PHDCLLVMUITNQK-QGZVFWFLSA-N 2 2 419.639 4.294 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)n2)C1 ZINC000473449542 888173084 /nfs/dbraw/zinc/17/30/84/888173084.db2.gz PHDCLLVMUITNQK-QGZVFWFLSA-N 2 2 419.639 4.294 20 0 HIADLP Cc1cn2cc(NC(=O)N3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)ccc2[nH+]1 ZINC000473637162 888379360 /nfs/dbraw/zinc/37/93/60/888379360.db2.gz UNAFWGBMIPMNQE-DEOSSOPVSA-N 2 2 403.530 4.163 20 0 HIADLP Cc1cn2cc(NC(=O)N3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)ccc2[nH+]1 ZINC000473637162 888379371 /nfs/dbraw/zinc/37/93/71/888379371.db2.gz UNAFWGBMIPMNQE-DEOSSOPVSA-N 2 2 403.530 4.163 20 0 HIADLP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473945226 888821667 /nfs/dbraw/zinc/82/16/67/888821667.db2.gz OKAALGTWSHBQAN-NZQKXSOJSA-N 2 2 417.557 4.239 20 0 HIADLP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473945226 888821672 /nfs/dbraw/zinc/82/16/72/888821672.db2.gz OKAALGTWSHBQAN-NZQKXSOJSA-N 2 2 417.557 4.239 20 0 HIADLP CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474063373 888896493 /nfs/dbraw/zinc/89/64/93/888896493.db2.gz ZPECSBVWQKAJSK-RDPSFJRHSA-N 2 2 417.557 4.239 20 0 HIADLP CCN(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474063373 888896508 /nfs/dbraw/zinc/89/65/08/888896508.db2.gz ZPECSBVWQKAJSK-RDPSFJRHSA-N 2 2 417.557 4.239 20 0 HIADLP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474285253 889150935 /nfs/dbraw/zinc/15/09/35/889150935.db2.gz VCGGLCXYTGWNJP-UHFFFAOYSA-N 2 2 409.290 4.011 20 0 HIADLP COc1ccc2nc(C[NH2+][C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)sc2c1 ZINC000474350070 889227326 /nfs/dbraw/zinc/22/73/26/889227326.db2.gz ASPOTZYNNHUICH-OAHLLOKOSA-N 2 2 414.550 4.047 20 0 HIADLP COc1ccc([C@@H](C)[C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000474801569 889653591 /nfs/dbraw/zinc/65/35/91/889653591.db2.gz YRYUZPOYHUBXBC-ZWKOTPCHSA-N 2 2 412.578 4.233 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000475318210 890236495 /nfs/dbraw/zinc/23/64/95/890236495.db2.gz PEMJHGOIUXPGDY-ROUUACIJSA-N 2 2 421.029 4.032 20 0 HIADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475331968 890252411 /nfs/dbraw/zinc/25/24/11/890252411.db2.gz LVIOFEXZBRZKMW-UHFFFAOYSA-N 2 2 414.422 4.250 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[NH+]3CCCCCC3)cc1)C2 ZINC000475387960 890315065 /nfs/dbraw/zinc/31/50/65/890315065.db2.gz GZXWLQOSNHPAMW-NRFANRHFSA-N 2 2 408.590 4.330 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[NH+]3CCCCCC3)cc1)CC2 ZINC000475387960 890315081 /nfs/dbraw/zinc/31/50/81/890315081.db2.gz GZXWLQOSNHPAMW-NRFANRHFSA-N 2 2 408.590 4.330 20 0 HIADLP OC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1C(F)(F)F ZINC000475640532 890582447 /nfs/dbraw/zinc/58/24/47/890582447.db2.gz SDWALJCXCYVTEO-INIZCTEOSA-N 2 2 401.841 4.429 20 0 HIADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476208308 891138517 /nfs/dbraw/zinc/13/85/17/891138517.db2.gz UOVWKXCOKVGKDE-LEWJYISDSA-N 2 2 408.590 4.009 20 0 HIADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476208308 891138524 /nfs/dbraw/zinc/13/85/24/891138524.db2.gz UOVWKXCOKVGKDE-LEWJYISDSA-N 2 2 408.590 4.009 20 0 HIADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476208308 891138531 /nfs/dbraw/zinc/13/85/31/891138531.db2.gz UOVWKXCOKVGKDE-LEWJYISDSA-N 2 2 408.590 4.009 20 0 HIADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476208308 891138536 /nfs/dbraw/zinc/13/85/36/891138536.db2.gz UOVWKXCOKVGKDE-LEWJYISDSA-N 2 2 408.590 4.009 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@]3(C1)CCC[N@H+](Cc1ccccc1)C3)C2 ZINC000476241025 891165679 /nfs/dbraw/zinc/16/56/79/891165679.db2.gz XAYFGFJEGOEVKD-RLWLMLJZSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)C2 ZINC000476241025 891165684 /nfs/dbraw/zinc/16/56/84/891165684.db2.gz XAYFGFJEGOEVKD-RLWLMLJZSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@]3(C1)CCC[N@H+](Cc1ccccc1)C3)CC2 ZINC000476241025 891165692 /nfs/dbraw/zinc/16/56/92/891165692.db2.gz XAYFGFJEGOEVKD-RLWLMLJZSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)CC2 ZINC000476241025 891165698 /nfs/dbraw/zinc/16/56/98/891165698.db2.gz XAYFGFJEGOEVKD-RLWLMLJZSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)C2 ZINC000476543227 891456919 /nfs/dbraw/zinc/45/69/19/891456919.db2.gz IUOSMDQJXCOXOL-OAQYLSRUSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)C2 ZINC000476543227 891456923 /nfs/dbraw/zinc/45/69/23/891456923.db2.gz IUOSMDQJXCOXOL-OAQYLSRUSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)CC2 ZINC000476543227 891456930 /nfs/dbraw/zinc/45/69/30/891456930.db2.gz IUOSMDQJXCOXOL-OAQYLSRUSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)CC2 ZINC000476543227 891456934 /nfs/dbraw/zinc/45/69/34/891456934.db2.gz IUOSMDQJXCOXOL-OAQYLSRUSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000476814995 891801663 /nfs/dbraw/zinc/80/16/63/891801663.db2.gz AFUUMVQRCJBQPH-OAQYLSRUSA-N 2 2 423.601 4.083 20 0 HIADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000476814994 891802061 /nfs/dbraw/zinc/80/20/61/891802061.db2.gz AFUUMVQRCJBQPH-NRFANRHFSA-N 2 2 423.601 4.083 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cn(C)c2ccccc12 ZINC000477697205 892814478 /nfs/dbraw/zinc/81/44/78/892814478.db2.gz CTAWBIOUBQAWOD-LQGLAIQGSA-N 2 2 424.633 4.077 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cn(C)c2ccccc12 ZINC000477697205 892814480 /nfs/dbraw/zinc/81/44/80/892814480.db2.gz CTAWBIOUBQAWOD-LQGLAIQGSA-N 2 2 424.633 4.077 20 0 HIADLP C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H](c1ccccc1)[NH+](C)C ZINC000479063005 894323625 /nfs/dbraw/zinc/32/36/25/894323625.db2.gz YYLVQGCCDQZHAU-UUOWRZLLSA-N 2 2 415.541 4.415 20 0 HIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479402306 894707223 /nfs/dbraw/zinc/70/72/23/894707223.db2.gz NJRYMSVPBWEKHJ-YADARESESA-N 2 2 401.558 4.460 20 0 HIADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cnn(Cc2ccccc2)c1 ZINC000479479669 894803141 /nfs/dbraw/zinc/80/31/41/894803141.db2.gz AMJUQEXJCAGYOQ-YMTQGWHGSA-N 2 2 406.496 4.387 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479501437 894818269 /nfs/dbraw/zinc/81/82/69/894818269.db2.gz KTAFPUZJUQDQLU-MTWWTJSRSA-N 2 2 409.540 4.292 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000479501437 894818274 /nfs/dbraw/zinc/81/82/74/894818274.db2.gz KTAFPUZJUQDQLU-MTWWTJSRSA-N 2 2 409.540 4.292 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000479501437 894818276 /nfs/dbraw/zinc/81/82/76/894818276.db2.gz KTAFPUZJUQDQLU-MTWWTJSRSA-N 2 2 409.540 4.292 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000479501437 894818277 /nfs/dbraw/zinc/81/82/77/894818277.db2.gz KTAFPUZJUQDQLU-MTWWTJSRSA-N 2 2 409.540 4.292 20 0 HIADLP OC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1OC(F)(F)F ZINC000479534078 894840169 /nfs/dbraw/zinc/84/01/69/894840169.db2.gz VAIJEDUMQAXKNE-JTJHWIPRSA-N 2 2 420.475 4.404 20 0 HIADLP OC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1OC(F)(F)F ZINC000479534078 894840171 /nfs/dbraw/zinc/84/01/71/894840171.db2.gz VAIJEDUMQAXKNE-JTJHWIPRSA-N 2 2 420.475 4.404 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(Br)ccc1F ZINC000479904604 895251970 /nfs/dbraw/zinc/25/19/70/895251970.db2.gz TZCWHARUABVMAN-OAHLLOKOSA-N 2 2 407.327 4.271 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCCC2)cc1 ZINC000480086236 895446774 /nfs/dbraw/zinc/44/67/74/895446774.db2.gz AHAXIZBDSIWHFL-QGDZQMKYSA-N 2 2 407.602 4.332 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCCC2)cc1 ZINC000480086236 895446788 /nfs/dbraw/zinc/44/67/88/895446788.db2.gz AHAXIZBDSIWHFL-QGDZQMKYSA-N 2 2 407.602 4.332 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCCC2)cc1 ZINC000480086228 895446938 /nfs/dbraw/zinc/44/69/38/895446938.db2.gz AHAXIZBDSIWHFL-MZBJOSPHSA-N 2 2 407.602 4.332 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCCC2)cc1 ZINC000480086228 895446943 /nfs/dbraw/zinc/44/69/43/895446943.db2.gz AHAXIZBDSIWHFL-MZBJOSPHSA-N 2 2 407.602 4.332 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1)CCC2 ZINC000480181406 895572881 /nfs/dbraw/zinc/57/28/81/895572881.db2.gz NWUVEQJSNRJDOK-VQIMIIECSA-N 2 2 412.335 4.001 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1nc(-c2ccccc2)cs1 ZINC000480606609 895971353 /nfs/dbraw/zinc/97/13/53/895971353.db2.gz HFXCKQQKOCKOLK-SFHVURJKSA-N 2 2 420.582 4.049 20 0 HIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1I ZINC000480608657 895973065 /nfs/dbraw/zinc/97/30/65/895973065.db2.gz KNQLURBQVBMQIE-CQSZACIVSA-N 2 2 407.299 4.006 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(F)c(Cl)cc1Cl ZINC000480644310 896012739 /nfs/dbraw/zinc/01/27/39/896012739.db2.gz PEDZKVJLXBANBI-CQSZACIVSA-N 2 2 424.347 4.371 20 0 HIADLP COc1ccc(C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccc(OC)cc2)cc1 ZINC000480754450 896115575 /nfs/dbraw/zinc/11/55/75/896115575.db2.gz KRRRVIUNODZHME-XMMPIXPASA-N 2 2 405.542 4.353 20 0 HIADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)Cc1ccccc1 ZINC000480791137 896158293 /nfs/dbraw/zinc/15/82/93/896158293.db2.gz ZOOLRAUMGUSSAD-GUXMJAIHSA-N 2 2 405.586 4.362 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481178112 896514972 /nfs/dbraw/zinc/51/49/72/896514972.db2.gz FTOWUJDLMZQZMY-UZLBHIALSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481178112 896514993 /nfs/dbraw/zinc/51/49/93/896514993.db2.gz FTOWUJDLMZQZMY-UZLBHIALSA-N 2 2 405.464 4.144 20 0 HIADLP COc1ccccc1[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000481181390 896522296 /nfs/dbraw/zinc/52/22/96/896522296.db2.gz ZJWDSWRHGFXZJO-TUSQITKMSA-N 2 2 422.617 4.117 20 0 HIADLP COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000481181390 896522313 /nfs/dbraw/zinc/52/23/13/896522313.db2.gz ZJWDSWRHGFXZJO-TUSQITKMSA-N 2 2 422.617 4.117 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cccc2ncccc21 ZINC000481185135 896530259 /nfs/dbraw/zinc/53/02/59/896530259.db2.gz DIWZUUXCLUBRBH-IPJJNNNSSA-N 2 2 402.542 4.062 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cccc2ncccc21 ZINC000481185135 896530271 /nfs/dbraw/zinc/53/02/71/896530271.db2.gz DIWZUUXCLUBRBH-IPJJNNNSSA-N 2 2 402.542 4.062 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000481317399 896670776 /nfs/dbraw/zinc/67/07/76/896670776.db2.gz IQTZSFGTEHSPND-QGZVFWFLSA-N 2 2 408.464 4.311 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1Br ZINC000481397081 896803938 /nfs/dbraw/zinc/80/39/38/896803938.db2.gz ATYBSMUXZDBILH-KRWDZBQOSA-N 2 2 419.363 4.011 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000481409859 896815008 /nfs/dbraw/zinc/81/50/08/896815008.db2.gz BMRKSOYITASASD-QGZVFWFLSA-N 2 2 408.464 4.267 20 0 HIADLP Clc1cccc2c1OCCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481412710 896816918 /nfs/dbraw/zinc/81/69/18/896816918.db2.gz JZXADDVFVAUYEP-JOCHJYFZSA-N 2 2 416.949 4.055 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(OC(F)(F)F)c1 ZINC000481423712 896826828 /nfs/dbraw/zinc/82/68/28/896826828.db2.gz WDHVJTRUUKRLDB-KRWDZBQOSA-N 2 2 424.463 4.147 20 0 HIADLP O=C(NCc1ccccc1)[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000481574762 896953439 /nfs/dbraw/zinc/95/34/39/896953439.db2.gz TZMTXENDASGBTE-AZGAKELHSA-N 2 2 413.565 4.156 20 0 HIADLP O=C(NCc1ccccc1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000481574762 896953451 /nfs/dbraw/zinc/95/34/51/896953451.db2.gz TZMTXENDASGBTE-AZGAKELHSA-N 2 2 413.565 4.156 20 0 HIADLP O=C(NCc1ccccc1)[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000481574763 896954207 /nfs/dbraw/zinc/95/42/07/896954207.db2.gz TZMTXENDASGBTE-RSXGOPAZSA-N 2 2 413.565 4.156 20 0 HIADLP O=C(NCc1ccccc1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000481574763 896954219 /nfs/dbraw/zinc/95/42/19/896954219.db2.gz TZMTXENDASGBTE-RSXGOPAZSA-N 2 2 413.565 4.156 20 0 HIADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000481718245 897112027 /nfs/dbraw/zinc/11/20/27/897112027.db2.gz AHEYNYYSMASSRC-INIZCTEOSA-N 2 2 413.953 4.020 20 0 HIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482037779 897454517 /nfs/dbraw/zinc/45/45/17/897454517.db2.gz XHSZDZMUBGKCQG-FXAWDEMLSA-N 2 2 414.619 4.020 20 0 HIADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000482037779 897454525 /nfs/dbraw/zinc/45/45/25/897454525.db2.gz XHSZDZMUBGKCQG-FXAWDEMLSA-N 2 2 414.619 4.020 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000482114664 897566017 /nfs/dbraw/zinc/56/60/17/897566017.db2.gz OKLGMCZTANKROP-FDDCHVKYSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000482114664 897566028 /nfs/dbraw/zinc/56/60/28/897566028.db2.gz OKLGMCZTANKROP-FDDCHVKYSA-N 2 2 406.505 4.408 20 0 HIADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nnn1-c1ccc(F)cc1 ZINC000482130722 897587397 /nfs/dbraw/zinc/58/73/97/897587397.db2.gz VKFFGSMMQMMZEK-FUHWJXTLSA-N 2 2 413.566 4.339 20 0 HIADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nnn1-c1ccc(F)cc1 ZINC000482130722 897587409 /nfs/dbraw/zinc/58/74/09/897587409.db2.gz VKFFGSMMQMMZEK-FUHWJXTLSA-N 2 2 413.566 4.339 20 0 HIADLP COC(=O)c1ccc(-c2ccc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)o2)cc1 ZINC000482219126 897699975 /nfs/dbraw/zinc/69/99/75/897699975.db2.gz RQPUSPKNVFOMKH-UHFFFAOYSA-N 2 2 415.493 4.310 20 0 HIADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c2)CC1 ZINC000482553636 898145381 /nfs/dbraw/zinc/14/53/81/898145381.db2.gz JQMPSOBYAVQVOH-NVQXNPDNSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c2)CC1 ZINC000482553636 898145389 /nfs/dbraw/zinc/14/53/89/898145389.db2.gz JQMPSOBYAVQVOH-NVQXNPDNSA-N 3 2 406.618 4.314 20 0 HIADLP COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1OC ZINC000482558439 898150694 /nfs/dbraw/zinc/15/06/94/898150694.db2.gz SVXAZGXSORINRS-JKSUJKDBSA-N 2 2 419.516 4.146 20 0 HIADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000482951285 898579062 /nfs/dbraw/zinc/57/90/62/898579062.db2.gz QFEPATOEITYZKR-OAQYLSRUSA-N 2 2 423.576 4.333 20 0 HIADLP Clc1sc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1Br ZINC000483282276 898918949 /nfs/dbraw/zinc/91/89/49/898918949.db2.gz AXUPMEVZVOFHDW-UHFFFAOYSA-N 2 2 407.805 4.241 20 0 HIADLP Cc1cn2cc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)ccc2[nH+]1 ZINC000483320720 898948435 /nfs/dbraw/zinc/94/84/35/898948435.db2.gz HZSHZBIMJRWZSS-IRLDBZIGSA-N 2 2 403.530 4.161 20 0 HIADLP Cc1cn2cc(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)ccc2[nH+]1 ZINC000483320720 898948447 /nfs/dbraw/zinc/94/84/47/898948447.db2.gz HZSHZBIMJRWZSS-IRLDBZIGSA-N 2 2 403.530 4.161 20 0 HIADLP CC1(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000483442744 899076174 /nfs/dbraw/zinc/07/61/74/899076174.db2.gz RXXSUHXOZRDKOD-UHFFFAOYSA-N 2 2 408.590 4.204 20 0 HIADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000483483026 899132945 /nfs/dbraw/zinc/13/29/45/899132945.db2.gz UFODCQOUKPUOSU-UXPWSPDFSA-N 2 2 410.389 4.073 20 0 HIADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000483483026 899132959 /nfs/dbraw/zinc/13/29/59/899132959.db2.gz UFODCQOUKPUOSU-UXPWSPDFSA-N 2 2 410.389 4.073 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000483483026 899132968 /nfs/dbraw/zinc/13/29/68/899132968.db2.gz UFODCQOUKPUOSU-UXPWSPDFSA-N 2 2 410.389 4.073 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000483483026 899132979 /nfs/dbraw/zinc/13/29/79/899132979.db2.gz UFODCQOUKPUOSU-UXPWSPDFSA-N 2 2 410.389 4.073 20 0 HIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483727264 899387605 /nfs/dbraw/zinc/38/76/05/899387605.db2.gz NAAUWBVBQVQUFF-DKICVRJWSA-N 2 2 410.580 4.024 20 0 HIADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483727264 899387620 /nfs/dbraw/zinc/38/76/20/899387620.db2.gz NAAUWBVBQVQUFF-DKICVRJWSA-N 2 2 410.580 4.024 20 0 HIADLP C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483830218 899508784 /nfs/dbraw/zinc/50/87/84/899508784.db2.gz CQAIWTPICDOKCD-SJLPKXTDSA-N 2 2 419.447 4.273 20 0 HIADLP CN(C(=O)c1ccc(F)c2ccccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000484074980 899708757 /nfs/dbraw/zinc/70/87/57/899708757.db2.gz QVYWZBGLPNJILE-BJKOFHAPSA-N 2 2 411.565 4.388 20 0 HIADLP CN(C(=O)c1ccc(F)c2ccccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000484074980 899708769 /nfs/dbraw/zinc/70/87/69/899708769.db2.gz QVYWZBGLPNJILE-BJKOFHAPSA-N 2 2 411.565 4.388 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000484081577 899713790 /nfs/dbraw/zinc/71/37/90/899713790.db2.gz QVZZDKNIRXFGGD-IBGZPJMESA-N 2 2 421.520 4.354 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000484081577 899713820 /nfs/dbraw/zinc/71/38/20/899713820.db2.gz QVZZDKNIRXFGGD-IBGZPJMESA-N 2 2 421.520 4.354 20 0 HIADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000484134282 899755793 /nfs/dbraw/zinc/75/57/93/899755793.db2.gz PPTOUJACSOQXMY-RTBURBONSA-N 2 2 415.603 4.372 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2ccncc2)cc1 ZINC000484145578 899766775 /nfs/dbraw/zinc/76/67/75/899766775.db2.gz NBTCRHKJFNYKRZ-GKBBYZSKSA-N 2 2 401.554 4.282 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2ccncc2)cc1 ZINC000484145578 899766780 /nfs/dbraw/zinc/76/67/80/899766780.db2.gz NBTCRHKJFNYKRZ-GKBBYZSKSA-N 2 2 401.554 4.282 20 0 HIADLP COc1ccc(C[C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)c2ccc(OC)cc2)cc1 ZINC000484490138 899981699 /nfs/dbraw/zinc/98/16/99/899981699.db2.gz XBEGFOKUCVPVSQ-PKTZIBPZSA-N 2 2 400.588 4.015 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486821204 901874081 /nfs/dbraw/zinc/87/40/81/901874081.db2.gz LUEGHYLKWCTXKK-MSOLQXFVSA-N 2 2 423.026 4.292 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486821204 901874087 /nfs/dbraw/zinc/87/40/87/901874087.db2.gz LUEGHYLKWCTXKK-MSOLQXFVSA-N 2 2 423.026 4.292 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccccc1SC ZINC000489251108 903288584 /nfs/dbraw/zinc/28/85/84/903288584.db2.gz DOZZCGNHNLATOM-GOSISDBHSA-N 2 2 412.603 4.369 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccccc1SC ZINC000489251108 903288590 /nfs/dbraw/zinc/28/85/90/903288590.db2.gz DOZZCGNHNLATOM-GOSISDBHSA-N 2 2 412.603 4.369 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000489288749 903309523 /nfs/dbraw/zinc/30/95/23/903309523.db2.gz HXJWYCWAJZXLOE-SFHVURJKSA-N 2 2 412.603 4.369 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000489288749 903309529 /nfs/dbraw/zinc/30/95/29/903309529.db2.gz HXJWYCWAJZXLOE-SFHVURJKSA-N 2 2 412.603 4.369 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000489387900 903358684 /nfs/dbraw/zinc/35/86/84/903358684.db2.gz HXNUWHXBQPBNNI-LEWJYISDSA-N 2 2 408.590 4.194 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000489387900 903358704 /nfs/dbraw/zinc/35/87/04/903358704.db2.gz HXNUWHXBQPBNNI-LEWJYISDSA-N 2 2 408.590 4.194 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000489459127 903395659 /nfs/dbraw/zinc/39/56/59/903395659.db2.gz RNNOZRGOUSMMJG-QGZVFWFLSA-N 2 2 400.954 4.301 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000489459127 903395669 /nfs/dbraw/zinc/39/56/69/903395669.db2.gz RNNOZRGOUSMMJG-QGZVFWFLSA-N 2 2 400.954 4.301 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000491285560 904519000 /nfs/dbraw/zinc/51/90/00/904519000.db2.gz UCNODYFAKNBWTG-UGKGYDQZSA-N 2 2 402.542 4.295 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000491285560 904519012 /nfs/dbraw/zinc/51/90/12/904519012.db2.gz UCNODYFAKNBWTG-UGKGYDQZSA-N 2 2 402.542 4.295 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000492227111 904818590 /nfs/dbraw/zinc/81/85/90/904818590.db2.gz QDWSUBXKEWIGOA-YWMUFLPLSA-N 2 2 421.354 4.264 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000492227111 904818593 /nfs/dbraw/zinc/81/85/93/904818593.db2.gz QDWSUBXKEWIGOA-YWMUFLPLSA-N 2 2 421.354 4.264 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1)CCC2 ZINC000493306746 905081349 /nfs/dbraw/zinc/08/13/49/905081349.db2.gz UDYNAHKAULCMPK-GMAHTHKFSA-N 2 2 423.582 4.160 20 0 HIADLP C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512390024 921125830 /nfs/dbraw/zinc/12/58/30/921125830.db2.gz XHMNUEQSIUMKDZ-UHFFFAOYSA-N 2 2 409.965 4.264 20 0 HIADLP C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512390024 921125838 /nfs/dbraw/zinc/12/58/38/921125838.db2.gz XHMNUEQSIUMKDZ-UHFFFAOYSA-N 2 2 409.965 4.264 20 0 HIADLP CCCc1csc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)n1 ZINC000494099536 905432299 /nfs/dbraw/zinc/43/22/99/905432299.db2.gz RZMMIUAGEXUEPO-UHFFFAOYSA-N 2 2 412.525 4.156 20 0 HIADLP CC(C)[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494158287 905493927 /nfs/dbraw/zinc/49/39/27/905493927.db2.gz YLSRUXJRIXEYFV-RBUKOAKNSA-N 2 2 407.530 4.042 20 0 HIADLP CC(C)[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494158287 905493934 /nfs/dbraw/zinc/49/39/34/905493934.db2.gz YLSRUXJRIXEYFV-RBUKOAKNSA-N 2 2 407.530 4.042 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](C[C@H]3CCOC3)c3ccc(F)cc3)[nH+]c2)CC1 ZINC000494825778 906019451 /nfs/dbraw/zinc/01/94/51/906019451.db2.gz OWNOBHOFVQFAKF-JPYJTQIMSA-N 2 2 412.553 4.331 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000495069633 906220350 /nfs/dbraw/zinc/22/03/50/906220350.db2.gz MLQJUWNGHOTPMF-WOJBJXKFSA-N 2 2 420.022 4.218 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000495069633 906220366 /nfs/dbraw/zinc/22/03/66/906220366.db2.gz MLQJUWNGHOTPMF-WOJBJXKFSA-N 2 2 420.022 4.218 20 0 HIADLP Cc1nc2sc3c(c2c(NC2CC[NH+](C4CC[NH+](C)CC4)CC2)n1)CC[C@@H](C)C3 ZINC000496203886 906628571 /nfs/dbraw/zinc/62/85/71/906628571.db2.gz NBWXCHFWRJENAW-OAHLLOKOSA-N 2 2 413.635 4.095 20 0 HIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2)c[nH+]1 ZINC000512648528 921273914 /nfs/dbraw/zinc/27/39/14/921273914.db2.gz NZFPGTZPFHKNBP-GSDHBNRESA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2)c[nH+]1 ZINC000512648528 921273920 /nfs/dbraw/zinc/27/39/20/921273920.db2.gz NZFPGTZPFHKNBP-GSDHBNRESA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000512660439 921279016 /nfs/dbraw/zinc/27/90/16/921279016.db2.gz NFTPFLKPAJSYBI-JIMJEQGWSA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000512660439 921279021 /nfs/dbraw/zinc/27/90/21/921279021.db2.gz NFTPFLKPAJSYBI-JIMJEQGWSA-N 3 2 400.570 4.322 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469723 906948818 /nfs/dbraw/zinc/94/88/18/906948818.db2.gz JCQLXUOEMNWGKA-GOTSBHOMSA-N 2 2 413.512 4.124 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469723 906948844 /nfs/dbraw/zinc/94/88/44/906948844.db2.gz JCQLXUOEMNWGKA-GOTSBHOMSA-N 2 2 413.512 4.124 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469723 906948864 /nfs/dbraw/zinc/94/88/64/906948864.db2.gz JCQLXUOEMNWGKA-GOTSBHOMSA-N 2 2 413.512 4.124 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469723 906948889 /nfs/dbraw/zinc/94/88/89/906948889.db2.gz JCQLXUOEMNWGKA-GOTSBHOMSA-N 2 2 413.512 4.124 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3(CCc4ccccc4)CCCC3)CC2)CC1 ZINC000498182606 907715688 /nfs/dbraw/zinc/71/56/88/907715688.db2.gz MIHBGYQLXVPZLD-UHFFFAOYSA-N 2 2 411.634 4.245 20 0 HIADLP CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499024161 908398875 /nfs/dbraw/zinc/39/88/75/908398875.db2.gz VXBGHZQRVKIQSD-HXUWFJFHSA-N 2 2 415.628 4.245 20 0 HIADLP CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499024161 908398888 /nfs/dbraw/zinc/39/88/88/908398888.db2.gz VXBGHZQRVKIQSD-HXUWFJFHSA-N 2 2 415.628 4.245 20 0 HIADLP FC(F)(F)c1ccc(C[C@@]2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCOC2)cc1 ZINC000512977053 921449054 /nfs/dbraw/zinc/44/90/54/921449054.db2.gz FNVIJQWPCBHTRV-NRFANRHFSA-N 2 2 401.432 4.383 20 0 HIADLP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513040922 921499905 /nfs/dbraw/zinc/49/99/05/921499905.db2.gz IZTYIBOTZTVHKA-MRXNPFEDSA-N 2 2 403.920 4.481 20 0 HIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@]3(Cc4ccc(Cl)cc4)CCOC3)sc2C1 ZINC000500463171 909872919 /nfs/dbraw/zinc/87/29/19/909872919.db2.gz OSDKYUFBHLSVRD-NRFANRHFSA-N 2 2 405.995 4.054 20 0 HIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@]3(Cc4ccc(Cl)cc4)CCOC3)sc2C1 ZINC000500463171 909872921 /nfs/dbraw/zinc/87/29/21/909872921.db2.gz OSDKYUFBHLSVRD-NRFANRHFSA-N 2 2 405.995 4.054 20 0 HIADLP C[NH+](C)Cc1cc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)ccc1Cl ZINC000500747000 910055889 /nfs/dbraw/zinc/05/58/89/910055889.db2.gz AMUGMBPOIUVWLM-UHFFFAOYSA-N 2 2 405.836 4.172 20 0 HIADLP Cc1ccc(S(=O)(=O)c2ccc(C[NH+]3CCC(CCC[NH+](C)C)CC3)cc2)cc1 ZINC000501770868 910825393 /nfs/dbraw/zinc/82/53/93/910825393.db2.gz QPBLFDBQFMFBFJ-UHFFFAOYSA-N 2 2 414.615 4.382 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503049962 912013874 /nfs/dbraw/zinc/01/38/74/912013874.db2.gz CHUCXHLDKBKJCT-JRGCBEDISA-N 2 2 400.542 4.199 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503049962 912013894 /nfs/dbraw/zinc/01/38/94/912013894.db2.gz CHUCXHLDKBKJCT-JRGCBEDISA-N 2 2 400.542 4.199 20 0 HIADLP Cc1[nH+]ccn1CCCC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000503061341 912026518 /nfs/dbraw/zinc/02/65/18/912026518.db2.gz FRWQTBLFOOWURK-UHFFFAOYSA-N 2 2 412.484 4.391 20 0 HIADLP Cc1[nH+]ccn1CCCC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000503061341 912026532 /nfs/dbraw/zinc/02/65/32/912026532.db2.gz FRWQTBLFOOWURK-UHFFFAOYSA-N 2 2 412.484 4.391 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@H]1n1cc[nH+]c1 ZINC000503064103 912028185 /nfs/dbraw/zinc/02/81/85/912028185.db2.gz PQCBFVZVLRVXDU-GHTZIAJQSA-N 2 2 421.570 4.092 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@H]1n1cc[nH+]c1 ZINC000503064103 912028197 /nfs/dbraw/zinc/02/81/97/912028197.db2.gz PQCBFVZVLRVXDU-GHTZIAJQSA-N 2 2 421.570 4.092 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503064106 912030659 /nfs/dbraw/zinc/03/06/59/912030659.db2.gz PQCBFVZVLRVXDU-NQIIRXRSSA-N 2 2 421.570 4.092 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503064106 912030664 /nfs/dbraw/zinc/03/06/64/912030664.db2.gz PQCBFVZVLRVXDU-NQIIRXRSSA-N 2 2 421.570 4.092 20 0 HIADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503072943 912041304 /nfs/dbraw/zinc/04/13/04/912041304.db2.gz FDKSEGBSXXWYTH-GGPKGHCWSA-N 2 2 424.545 4.225 20 0 HIADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503072943 912041323 /nfs/dbraw/zinc/04/13/23/912041323.db2.gz FDKSEGBSXXWYTH-GGPKGHCWSA-N 2 2 424.545 4.225 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503075498 912045248 /nfs/dbraw/zinc/04/52/48/912045248.db2.gz VCZKVDPDQKSCTE-YADARESESA-N 2 2 415.541 4.099 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503075498 912045266 /nfs/dbraw/zinc/04/52/66/912045266.db2.gz VCZKVDPDQKSCTE-YADARESESA-N 2 2 415.541 4.099 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000503075853 912046962 /nfs/dbraw/zinc/04/69/62/912046962.db2.gz RLBPUVRWGBHLDT-MMMWYMCRSA-N 2 2 409.361 4.339 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000503075853 912046984 /nfs/dbraw/zinc/04/69/84/912046984.db2.gz RLBPUVRWGBHLDT-MMMWYMCRSA-N 2 2 409.361 4.339 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000506285123 914883652 /nfs/dbraw/zinc/88/36/52/914883652.db2.gz YMCIPSBYDSZCQB-UHFFFAOYSA-N 2 2 423.586 4.296 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000506285123 914883653 /nfs/dbraw/zinc/88/36/53/914883653.db2.gz YMCIPSBYDSZCQB-UHFFFAOYSA-N 2 2 423.586 4.296 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475512 915078828 /nfs/dbraw/zinc/07/88/28/915078828.db2.gz XOTAVVQVOGAYKG-IFMALSPDSA-N 2 2 409.574 4.296 20 0 HIADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475512 915078845 /nfs/dbraw/zinc/07/88/45/915078845.db2.gz XOTAVVQVOGAYKG-IFMALSPDSA-N 2 2 409.574 4.296 20 0 HIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475512 915078860 /nfs/dbraw/zinc/07/88/60/915078860.db2.gz XOTAVVQVOGAYKG-IFMALSPDSA-N 2 2 409.574 4.296 20 0 HIADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475512 915078875 /nfs/dbraw/zinc/07/88/75/915078875.db2.gz XOTAVVQVOGAYKG-IFMALSPDSA-N 2 2 409.574 4.296 20 0 HIADLP CCC(CC)[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[NH+]1CCCC1 ZINC000507090448 915863880 /nfs/dbraw/zinc/86/38/80/915863880.db2.gz YMTBSEXBCFZLQM-IRLDBZIGSA-N 2 2 415.626 4.009 20 0 HIADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000507527026 916286493 /nfs/dbraw/zinc/28/64/93/916286493.db2.gz LYESNJPFQODRPI-UHFFFAOYSA-N 2 2 420.401 4.398 20 0 HIADLP O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507664645 916427226 /nfs/dbraw/zinc/42/72/26/916427226.db2.gz MWPOXSSXQBYHQA-QFIPXVFZSA-N 2 2 413.562 4.150 20 0 HIADLP O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507664645 916427236 /nfs/dbraw/zinc/42/72/36/916427236.db2.gz MWPOXSSXQBYHQA-QFIPXVFZSA-N 2 2 413.562 4.150 20 0 HIADLP CC(C)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1F ZINC000507671020 916439743 /nfs/dbraw/zinc/43/97/43/916439743.db2.gz PPFWLAZJAJLRBW-UHFFFAOYSA-N 2 2 415.578 4.224 20 0 HIADLP CC(C)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1F ZINC000507671020 916439775 /nfs/dbraw/zinc/43/97/75/916439775.db2.gz PPFWLAZJAJLRBW-UHFFFAOYSA-N 2 2 415.578 4.224 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000507896712 916757411 /nfs/dbraw/zinc/75/74/11/916757411.db2.gz SPCONDDOYSKFGY-REWPJTCUSA-N 2 2 402.542 4.014 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000507896712 916757436 /nfs/dbraw/zinc/75/74/36/916757436.db2.gz SPCONDDOYSKFGY-REWPJTCUSA-N 2 2 402.542 4.014 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000508062101 916886207 /nfs/dbraw/zinc/88/62/07/916886207.db2.gz FOUBZDMDMJWXIP-IBGZPJMESA-N 2 2 405.995 4.101 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000508062101 916886214 /nfs/dbraw/zinc/88/62/14/916886214.db2.gz FOUBZDMDMJWXIP-IBGZPJMESA-N 2 2 405.995 4.101 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000508619993 917387719 /nfs/dbraw/zinc/38/77/19/917387719.db2.gz ICAQITGRNIOWDL-HXUWFJFHSA-N 2 2 412.541 4.123 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000508619993 917387736 /nfs/dbraw/zinc/38/77/36/917387736.db2.gz ICAQITGRNIOWDL-HXUWFJFHSA-N 2 2 412.541 4.123 20 0 HIADLP C[C@@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508877247 917630546 /nfs/dbraw/zinc/63/05/46/917630546.db2.gz XUFQSMGTNYVYBD-ZBNTXBBCSA-N 2 2 424.589 4.109 20 0 HIADLP C[C@@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508877247 917630550 /nfs/dbraw/zinc/63/05/50/917630550.db2.gz XUFQSMGTNYVYBD-ZBNTXBBCSA-N 2 2 424.589 4.109 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000509030292 917785996 /nfs/dbraw/zinc/78/59/96/917785996.db2.gz ICKDKXJIJKCJDJ-HXUWFJFHSA-N 2 2 417.985 4.097 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000509030292 917785999 /nfs/dbraw/zinc/78/59/99/917785999.db2.gz ICKDKXJIJKCJDJ-HXUWFJFHSA-N 2 2 417.985 4.097 20 0 HIADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000509853993 918456675 /nfs/dbraw/zinc/45/66/75/918456675.db2.gz NEZPRRLIQXFNTL-NHCUHLMSSA-N 2 2 418.626 4.128 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000510644265 919083857 /nfs/dbraw/zinc/08/38/57/919083857.db2.gz HXEOYSKDEHHYEP-LGVFNWMJSA-N 2 2 423.605 4.193 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000510644265 919083875 /nfs/dbraw/zinc/08/38/75/919083875.db2.gz HXEOYSKDEHHYEP-LGVFNWMJSA-N 2 2 423.605 4.193 20 0 HIADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510969708 919512050 /nfs/dbraw/zinc/51/20/50/919512050.db2.gz QWCBYERBOPRELB-XVAXZDLZSA-N 2 2 422.013 4.000 20 0 HIADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000510969708 919512078 /nfs/dbraw/zinc/51/20/78/919512078.db2.gz QWCBYERBOPRELB-XVAXZDLZSA-N 2 2 422.013 4.000 20 0 HIADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000512023838 920800328 /nfs/dbraw/zinc/80/03/28/920800328.db2.gz LDCYNNKVSHRDQL-XWCIJXRUSA-N 2 2 403.876 4.148 20 0 HIADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000512023838 920800332 /nfs/dbraw/zinc/80/03/32/920800332.db2.gz LDCYNNKVSHRDQL-XWCIJXRUSA-N 2 2 403.876 4.148 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512257778 921016947 /nfs/dbraw/zinc/01/69/47/921016947.db2.gz DAHUZKFTQJEFOT-LFAGZIFBSA-N 2 2 423.626 4.398 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512257778 921016960 /nfs/dbraw/zinc/01/69/60/921016960.db2.gz DAHUZKFTQJEFOT-LFAGZIFBSA-N 2 2 423.626 4.398 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512257778 921016971 /nfs/dbraw/zinc/01/69/71/921016971.db2.gz DAHUZKFTQJEFOT-LFAGZIFBSA-N 2 2 423.626 4.398 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512257778 921016981 /nfs/dbraw/zinc/01/69/81/921016981.db2.gz DAHUZKFTQJEFOT-LFAGZIFBSA-N 2 2 423.626 4.398 20 0 HIADLP C/C=C/c1ccc(OC[C@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000512300482 921055714 /nfs/dbraw/zinc/05/57/14/921055714.db2.gz DUCUNFZHDPYGDD-CZDPRXMLSA-N 2 2 424.585 4.064 20 0 HIADLP C/C=C/c1ccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000512300482 921055724 /nfs/dbraw/zinc/05/57/24/921055724.db2.gz DUCUNFZHDPYGDD-CZDPRXMLSA-N 2 2 424.585 4.064 20 0 HIADLP C[N@H+](C[C@@H](O)COc1cccc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512302527 921058954 /nfs/dbraw/zinc/05/89/54/921058954.db2.gz FNIHIWPTZYKADX-XMMPIXPASA-N 2 2 404.554 4.176 20 0 HIADLP C[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512302527 921058968 /nfs/dbraw/zinc/05/89/68/921058968.db2.gz FNIHIWPTZYKADX-XMMPIXPASA-N 2 2 404.554 4.176 20 0 HIADLP CCOc1c(Cl)cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC ZINC000512359848 921102678 /nfs/dbraw/zinc/10/26/78/921102678.db2.gz NTWBDGUGRDCCDA-UHFFFAOYSA-N 2 2 417.981 4.281 20 0 HIADLP CCOc1c(Cl)cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1OC ZINC000512359848 921102683 /nfs/dbraw/zinc/10/26/83/921102683.db2.gz NTWBDGUGRDCCDA-UHFFFAOYSA-N 2 2 417.981 4.281 20 0 HIADLP CCC[NH+]1CCC(CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000514222012 922557325 /nfs/dbraw/zinc/55/73/25/922557325.db2.gz LSFLJDCYSZNJQK-HXUWFJFHSA-N 2 2 424.992 4.037 20 0 HIADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000514965559 922857695 /nfs/dbraw/zinc/85/76/95/922857695.db2.gz INRLYNSOUWLVNY-SFHVURJKSA-N 2 2 410.949 4.112 20 0 HIADLP CCc1ccc([C@H](CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[NH+](C)C)cc1 ZINC000515384362 923073513 /nfs/dbraw/zinc/07/35/13/923073513.db2.gz CFFCNPYSDYTIMH-FQEVSTJZSA-N 2 2 415.607 4.116 20 0 HIADLP CCc1ccc([C@@H](CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[NH+](C)C)cc1 ZINC000515384369 923074107 /nfs/dbraw/zinc/07/41/07/923074107.db2.gz CFFCNPYSDYTIMH-HXUWFJFHSA-N 2 2 415.607 4.116 20 0 HIADLP Cc1cccn2cc(CC(=O)NCCCC[NH+]3CCC(Cc4ccccc4)CC3)[nH+]c12 ZINC000518850326 927554321 /nfs/dbraw/zinc/55/43/21/927554321.db2.gz ZPNNPJLAQPGGSG-UHFFFAOYSA-N 2 2 418.585 4.036 20 0 HIADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000519206019 927827382 /nfs/dbraw/zinc/82/73/82/927827382.db2.gz JNCKESCGVRSEJB-FXAWDEMLSA-N 2 2 424.992 4.036 20 0 HIADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000519206019 927827385 /nfs/dbraw/zinc/82/73/85/927827385.db2.gz JNCKESCGVRSEJB-FXAWDEMLSA-N 2 2 424.992 4.036 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000519261967 927853932 /nfs/dbraw/zinc/85/39/32/927853932.db2.gz KASAGGQDKKSSOR-GOSISDBHSA-N 2 2 419.639 4.105 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)n2)C1 ZINC000519261967 927853936 /nfs/dbraw/zinc/85/39/36/927853936.db2.gz KASAGGQDKKSSOR-GOSISDBHSA-N 2 2 419.639 4.105 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)c1ccccc1 ZINC000520491653 928597299 /nfs/dbraw/zinc/59/72/99/928597299.db2.gz KBVXJXDDASIMIR-PXNSSMCTSA-N 2 2 400.592 4.397 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)c1ccccc1 ZINC000520491653 928597305 /nfs/dbraw/zinc/59/73/05/928597305.db2.gz KBVXJXDDASIMIR-PXNSSMCTSA-N 2 2 400.592 4.397 20 0 HIADLP FC(F)(F)Cc1noc(-c2cccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c2)n1 ZINC000520898840 928865494 /nfs/dbraw/zinc/86/54/94/928865494.db2.gz CIJKSAMMNNYPSE-UHFFFAOYSA-N 2 2 413.403 4.317 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000525373145 930203152 /nfs/dbraw/zinc/20/31/52/930203152.db2.gz XAGADOUREARGAR-UHFFFAOYSA-N 2 2 423.001 4.151 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000525373145 930203160 /nfs/dbraw/zinc/20/31/60/930203160.db2.gz XAGADOUREARGAR-UHFFFAOYSA-N 2 2 423.001 4.151 20 0 HIADLP COc1ccccc1[C@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)[NH+]1CCCCC1 ZINC000530569850 930753052 /nfs/dbraw/zinc/75/30/52/930753052.db2.gz ZATAIGOLSBBWKX-QHCPKHFHSA-N 2 2 418.541 4.146 20 0 HIADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000530950206 930865046 /nfs/dbraw/zinc/86/50/46/930865046.db2.gz QPLUSGOQLZLPDF-HSZRJFAPSA-N 2 2 408.933 4.079 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531188808 930957748 /nfs/dbraw/zinc/95/77/48/930957748.db2.gz GFJYLRFXQIPGLU-NSHDSACASA-N 2 2 400.832 4.289 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000531188854 930957795 /nfs/dbraw/zinc/95/77/95/930957795.db2.gz NVZOFKDVIJWRJY-GFCCVEGCSA-N 2 2 400.832 4.219 20 0 HIADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc(Br)ccc1F ZINC000531703579 931164704 /nfs/dbraw/zinc/16/47/04/931164704.db2.gz MAVXPXVMJKIETJ-HRAATJIYSA-N 2 2 420.370 4.228 20 0 HIADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000531711700 931169910 /nfs/dbraw/zinc/16/99/10/931169910.db2.gz QBPZEUJWPDDMKA-HNNXBMFYSA-N 2 2 402.420 4.398 20 0 HIADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000531724002 931174043 /nfs/dbraw/zinc/17/40/43/931174043.db2.gz JEBJCLQIOPBSSW-MRXNPFEDSA-N 2 2 419.491 4.111 20 0 HIADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000531950767 931260749 /nfs/dbraw/zinc/26/07/49/931260749.db2.gz BOVCNBDTXTUUKZ-HNNXBMFYSA-N 2 2 402.420 4.398 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Br)cc1 ZINC000532204472 931349596 /nfs/dbraw/zinc/34/95/96/931349596.db2.gz LDAUIYPGRYXBQM-QGZVFWFLSA-N 2 2 419.363 4.011 20 0 HIADLP CSc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1F ZINC000532208546 931352091 /nfs/dbraw/zinc/35/20/91/931352091.db2.gz VCSMTRKCYGUTLN-KRWDZBQOSA-N 2 2 404.551 4.109 20 0 HIADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000532249313 931372132 /nfs/dbraw/zinc/37/21/32/931372132.db2.gz LZKACVVUSDLAGY-SJKOYZFVSA-N 2 2 423.932 4.103 20 0 HIADLP CCCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000532488339 931458017 /nfs/dbraw/zinc/45/80/17/931458017.db2.gz XBNNHQZGDHUFNZ-XMMPIXPASA-N 2 2 412.622 4.248 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C ZINC000532544009 931517225 /nfs/dbraw/zinc/51/72/25/931517225.db2.gz RZONVHJWURPNRU-LJQANCHMSA-N 2 2 409.574 4.249 20 0 HIADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000532544009 931517232 /nfs/dbraw/zinc/51/72/32/931517232.db2.gz RZONVHJWURPNRU-LJQANCHMSA-N 2 2 409.574 4.249 20 0 HIADLP COc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1OCC(F)(F)F ZINC000532670587 931577461 /nfs/dbraw/zinc/57/74/61/931577461.db2.gz VTKOLSIDTCVCLO-MRXNPFEDSA-N 2 2 423.479 4.347 20 0 HIADLP CCCCOc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1OC ZINC000532675404 931578961 /nfs/dbraw/zinc/57/89/61/931578961.db2.gz KDTKBZGYFYAKFA-UHFFFAOYSA-N 2 2 412.578 4.412 20 0 HIADLP O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000532729909 931614331 /nfs/dbraw/zinc/61/43/31/931614331.db2.gz ZKRYWLYCDFJVLC-UHFFFAOYSA-N 2 2 403.530 4.299 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3ccccc3OCc3ccncc3)[nH+]c2)CC1 ZINC000532866460 931672301 /nfs/dbraw/zinc/67/23/01/931672301.db2.gz PROUOBTYDBGVAT-UHFFFAOYSA-N 2 2 417.557 4.198 20 0 HIADLP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000532956647 931711420 /nfs/dbraw/zinc/71/14/20/931711420.db2.gz CMRULIUQOWJIMH-BRWVUGGUSA-N 2 2 406.521 4.314 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccc(C)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533072990 931763676 /nfs/dbraw/zinc/76/36/76/931763676.db2.gz KFSDEWQIISTBCK-UHFFFAOYSA-N 2 2 409.578 4.146 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccc(C)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533072990 931763682 /nfs/dbraw/zinc/76/36/82/931763682.db2.gz KFSDEWQIISTBCK-UHFFFAOYSA-N 2 2 409.578 4.146 20 0 HIADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000533426328 931865025 /nfs/dbraw/zinc/86/50/25/931865025.db2.gz ABFLUKIGEOKUDU-AZGAKELHSA-N 2 2 417.597 4.111 20 0 HIADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000533426328 931865026 /nfs/dbraw/zinc/86/50/26/931865026.db2.gz ABFLUKIGEOKUDU-AZGAKELHSA-N 2 2 417.597 4.111 20 0 HIADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000533444374 931870979 /nfs/dbraw/zinc/87/09/79/931870979.db2.gz UABVTTIBRACSCE-MRXNPFEDSA-N 2 2 405.384 4.297 20 0 HIADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000533444374 931870981 /nfs/dbraw/zinc/87/09/81/931870981.db2.gz UABVTTIBRACSCE-MRXNPFEDSA-N 2 2 405.384 4.297 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccc(C[NH+](C)[C@H]3CC[N@@H+](CC)[C@H](C)C3)cc2)C[C@H]1C ZINC000533447511 931871773 /nfs/dbraw/zinc/87/17/73/931871773.db2.gz NFDOTPGOVLCRNK-QMWXCIFZSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccc(C[NH+](C)[C@H]3CC[N@H+](CC)[C@H](C)C3)cc2)C[C@H]1C ZINC000533447511 931871776 /nfs/dbraw/zinc/87/17/76/931871776.db2.gz NFDOTPGOVLCRNK-QMWXCIFZSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccc(C[N@@H+](C)[C@H]3CC[NH+](CC)[C@H](C)C3)cc2)C[C@H]1C ZINC000533447511 931871777 /nfs/dbraw/zinc/87/17/77/931871777.db2.gz NFDOTPGOVLCRNK-QMWXCIFZSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccc(C[N@H+](C)[C@H]3CC[NH+](CC)[C@H](C)C3)cc2)C[C@H]1C ZINC000533447511 931871780 /nfs/dbraw/zinc/87/17/80/931871780.db2.gz NFDOTPGOVLCRNK-QMWXCIFZSA-N 4 2 414.682 4.296 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000533485071 931881577 /nfs/dbraw/zinc/88/15/77/931881577.db2.gz MMFICZDQTIESLB-YADARESESA-N 2 2 407.558 4.203 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000533485071 931881580 /nfs/dbraw/zinc/88/15/80/931881580.db2.gz MMFICZDQTIESLB-YADARESESA-N 2 2 407.558 4.203 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000533485071 931881582 /nfs/dbraw/zinc/88/15/82/931881582.db2.gz MMFICZDQTIESLB-YADARESESA-N 2 2 407.558 4.203 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000533485071 931881584 /nfs/dbraw/zinc/88/15/84/931881584.db2.gz MMFICZDQTIESLB-YADARESESA-N 2 2 407.558 4.203 20 0 HIADLP CC[N@H+](Cc1cc(C(=O)OC)c(C)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533105 931896260 /nfs/dbraw/zinc/89/62/60/931896260.db2.gz QUBKSQLXIQFBPW-UHFFFAOYSA-N 2 2 414.550 4.087 20 0 HIADLP CC[N@@H+](Cc1cc(C(=O)OC)c(C)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533105 931896264 /nfs/dbraw/zinc/89/62/64/931896264.db2.gz QUBKSQLXIQFBPW-UHFFFAOYSA-N 2 2 414.550 4.087 20 0 HIADLP CN(C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648612 931944490 /nfs/dbraw/zinc/94/44/90/931944490.db2.gz LQRXERGWMWJCIC-VQTJNVASSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648612 931944500 /nfs/dbraw/zinc/94/45/00/931944500.db2.gz LQRXERGWMWJCIC-VQTJNVASSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)CCSc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648494 931944594 /nfs/dbraw/zinc/94/45/94/931944594.db2.gz OPTKVUVZYDLHLE-YADHBBJMSA-N 2 2 421.626 4.104 20 0 HIADLP CN(C(=O)CCSc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648494 931944599 /nfs/dbraw/zinc/94/45/99/931944599.db2.gz OPTKVUVZYDLHLE-YADHBBJMSA-N 2 2 421.626 4.104 20 0 HIADLP CSc1ccc(Cl)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533649287 931945722 /nfs/dbraw/zinc/94/57/22/931945722.db2.gz PQKVZHCXROIEJP-RTWAWAEBSA-N 2 2 424.054 4.471 20 0 HIADLP CSc1ccc(Cl)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533649287 931945727 /nfs/dbraw/zinc/94/57/27/931945727.db2.gz PQKVZHCXROIEJP-RTWAWAEBSA-N 2 2 424.054 4.471 20 0 HIADLP CCc1ccc(-c2nc(CN3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)cs2)cc1 ZINC000533866976 932070715 /nfs/dbraw/zinc/07/07/15/932070715.db2.gz ICPWEVCETQGWTL-AIZNXBIQSA-N 2 2 410.631 4.115 20 0 HIADLP CCc1ccc(-c2nc(CN3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)cs2)cc1 ZINC000533866976 932070724 /nfs/dbraw/zinc/07/07/24/932070724.db2.gz ICPWEVCETQGWTL-AIZNXBIQSA-N 2 2 410.631 4.115 20 0 HIADLP CN(C(=O)Nc1cccc(OC(F)F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534196684 932326204 /nfs/dbraw/zinc/32/62/04/932326204.db2.gz YGVBGPYTSBEOIG-WOJBJXKFSA-N 2 2 424.536 4.089 20 0 HIADLP CN(C(=O)Nc1cccc(OC(F)F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534196684 932326213 /nfs/dbraw/zinc/32/62/13/932326213.db2.gz YGVBGPYTSBEOIG-WOJBJXKFSA-N 2 2 424.536 4.089 20 0 HIADLP C[NH+](C)Cc1ccc(C[NH2+][C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1F ZINC000534212927 932335081 /nfs/dbraw/zinc/33/50/81/932335081.db2.gz TVEZZRWFGOZQMQ-XMMPIXPASA-N 2 2 405.517 4.035 20 0 HIADLP Cc1c(Cl)cccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213679 932335701 /nfs/dbraw/zinc/33/57/01/932335701.db2.gz WJNCLMIUBZSWEB-LEWJYISDSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1c(Cl)cccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213679 932335708 /nfs/dbraw/zinc/33/57/08/932335708.db2.gz WJNCLMIUBZSWEB-LEWJYISDSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1ccc(CCCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534358178 932391902 /nfs/dbraw/zinc/39/19/02/932391902.db2.gz HTKDGVXWTMBRIH-YADHBBJMSA-N 2 2 405.652 4.175 20 0 HIADLP Cc1ccc(CCCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534358178 932391913 /nfs/dbraw/zinc/39/19/13/932391913.db2.gz HTKDGVXWTMBRIH-YADHBBJMSA-N 2 2 405.652 4.175 20 0 HIADLP Cc1cc2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)oc2cc1C ZINC000534358387 932392496 /nfs/dbraw/zinc/39/24/96/932392496.db2.gz JTHHXSOPHPYOHP-FCHUYYIVSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1cc2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)oc2cc1C ZINC000534358387 932392498 /nfs/dbraw/zinc/39/24/98/932392498.db2.gz JTHHXSOPHPYOHP-FCHUYYIVSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1ccc2nc(C)c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000534361472 932395464 /nfs/dbraw/zinc/39/54/64/932395464.db2.gz ZRMCFBZHPIHTAR-DQEYMECFSA-N 2 2 422.617 4.261 20 0 HIADLP Cc1ccc2nc(C)c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000534361472 932395470 /nfs/dbraw/zinc/39/54/70/932395470.db2.gz ZRMCFBZHPIHTAR-DQEYMECFSA-N 2 2 422.617 4.261 20 0 HIADLP CN(C(=O)NCc1cccc2ccccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534385706 932412528 /nfs/dbraw/zinc/41/25/28/932412528.db2.gz STDKCYOMYOVVRL-LOSJGSFVSA-N 2 2 422.617 4.318 20 0 HIADLP CN(C(=O)NCc1cccc2ccccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534385706 932412538 /nfs/dbraw/zinc/41/25/38/932412538.db2.gz STDKCYOMYOVVRL-LOSJGSFVSA-N 2 2 422.617 4.318 20 0 HIADLP CN(C(=O)N[C@H](c1cccs1)C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535110467 932927567 /nfs/dbraw/zinc/92/75/67/932927567.db2.gz HZHININIEAJEKU-SJBKTWHCSA-N 2 2 418.651 4.178 20 0 HIADLP CN(C(=O)N[C@H](c1cccs1)C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535110467 932927575 /nfs/dbraw/zinc/92/75/75/932927575.db2.gz HZHININIEAJEKU-SJBKTWHCSA-N 2 2 418.651 4.178 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000535115274 932932111 /nfs/dbraw/zinc/93/21/11/932932111.db2.gz FORKFZGQMXMUFJ-NDXORKPFSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000535115274 932932120 /nfs/dbraw/zinc/93/21/20/932932120.db2.gz FORKFZGQMXMUFJ-NDXORKPFSA-N 2 2 422.564 4.004 20 0 HIADLP CN(C(=O)CCCc1cc(F)ccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535635989 933278106 /nfs/dbraw/zinc/27/81/06/933278106.db2.gz GXXMXAQZSBUTCI-XZOQPEGZSA-N 2 2 421.576 4.083 20 0 HIADLP CN(C(=O)CCCc1cc(F)ccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535635989 933278116 /nfs/dbraw/zinc/27/81/16/933278116.db2.gz GXXMXAQZSBUTCI-XZOQPEGZSA-N 2 2 421.576 4.083 20 0 HIADLP C[C@H](CCc1ccccc1F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849257 933429493 /nfs/dbraw/zinc/42/94/93/933429493.db2.gz VNUYJFPSKLMDAB-VEXUSMLFSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CCc1ccccc1F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849257 933429501 /nfs/dbraw/zinc/42/95/01/933429501.db2.gz VNUYJFPSKLMDAB-VEXUSMLFSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CCc1ccccc1F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849258 933430340 /nfs/dbraw/zinc/43/03/40/933430340.db2.gz VNUYJFPSKLMDAB-YGOYIFOWSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CCc1ccccc1F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849258 933430352 /nfs/dbraw/zinc/43/03/52/933430352.db2.gz VNUYJFPSKLMDAB-YGOYIFOWSA-N 2 2 417.613 4.190 20 0 HIADLP CN(C(=O)c1cc(F)c(F)cc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850982 933433675 /nfs/dbraw/zinc/43/36/75/933433675.db2.gz YVPBZRUUTDNYMS-WOJBJXKFSA-N 2 2 413.940 4.027 20 0 HIADLP CN(C(=O)c1cc(F)c(F)cc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850982 933433679 /nfs/dbraw/zinc/43/36/79/933433679.db2.gz YVPBZRUUTDNYMS-WOJBJXKFSA-N 2 2 413.940 4.027 20 0 HIADLP Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851974 933435574 /nfs/dbraw/zinc/43/55/74/933435574.db2.gz ZDNPTBHIYCERDG-LEWJYISDSA-N 2 2 415.553 4.290 20 0 HIADLP Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851974 933435581 /nfs/dbraw/zinc/43/55/81/933435581.db2.gz ZDNPTBHIYCERDG-LEWJYISDSA-N 2 2 415.553 4.290 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ncc(Br)s1 ZINC000535987954 933547333 /nfs/dbraw/zinc/54/73/33/933547333.db2.gz MXUDICGQQRRWKS-CQSZACIVSA-N 2 2 410.381 4.231 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC([NH+]2CCCCC2)CC1 ZINC000536081905 933631457 /nfs/dbraw/zinc/63/14/57/933631457.db2.gz FTKKFXFPRKTLRC-UHFFFAOYSA-N 2 2 405.546 4.084 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000537357673 933734205 /nfs/dbraw/zinc/73/42/05/933734205.db2.gz LTTXNQGAWFIJQZ-IERDGZPVSA-N 2 2 408.373 4.405 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000537357673 933734210 /nfs/dbraw/zinc/73/42/10/933734210.db2.gz LTTXNQGAWFIJQZ-IERDGZPVSA-N 2 2 408.373 4.405 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1F ZINC000538276748 938581696 /nfs/dbraw/zinc/58/16/96/938581696.db2.gz REWGNVUOQLLIIC-QFIPXVFZSA-N 3 2 420.532 4.398 20 0 HIADLP CC(C)c1csc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538355525 938602307 /nfs/dbraw/zinc/60/23/07/938602307.db2.gz LVENPLBLAIYGMZ-OALUTQOASA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)c1csc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000538355525 938602310 /nfs/dbraw/zinc/60/23/10/938602310.db2.gz LVENPLBLAIYGMZ-OALUTQOASA-N 2 2 407.628 4.067 20 0 HIADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)oc21 ZINC000538395055 938609868 /nfs/dbraw/zinc/60/98/68/938609868.db2.gz XHEFIBJENAUTSC-NYVOZVTQSA-N 2 2 408.542 4.365 20 0 HIADLP CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)oc21 ZINC000538395055 938609871 /nfs/dbraw/zinc/60/98/71/938609871.db2.gz XHEFIBJENAUTSC-NYVOZVTQSA-N 2 2 408.542 4.365 20 0 HIADLP O=C1[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538468052 938628938 /nfs/dbraw/zinc/62/89/38/938628938.db2.gz RULASWFDRQQHPS-TZIWHRDSSA-N 2 2 423.523 4.004 20 0 HIADLP O=C1[C@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538468052 938628941 /nfs/dbraw/zinc/62/89/41/938628941.db2.gz RULASWFDRQQHPS-TZIWHRDSSA-N 2 2 423.523 4.004 20 0 HIADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000538557258 938648438 /nfs/dbraw/zinc/64/84/38/938648438.db2.gz IVGMKQWEFXAZNI-GCJKJVERSA-N 2 2 424.593 4.269 20 0 HIADLP COC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000538590068 938656649 /nfs/dbraw/zinc/65/66/49/938656649.db2.gz FCUHAVCLGNJYGK-HXUWFJFHSA-N 2 2 422.495 4.430 20 0 HIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ncc(Br)s1 ZINC000538591065 938657180 /nfs/dbraw/zinc/65/71/80/938657180.db2.gz XFCBNFMWGMTGRS-LBPRGKRZSA-N 2 2 410.385 4.004 20 0 HIADLP CC[N@H+](Cc1ccccc1NC(C)=O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538729181 938694414 /nfs/dbraw/zinc/69/44/14/938694414.db2.gz WEUGTOAKPPZBNK-UHFFFAOYSA-N 2 2 409.578 4.358 20 0 HIADLP CC[N@@H+](Cc1ccccc1NC(C)=O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538729181 938694415 /nfs/dbraw/zinc/69/44/15/938694415.db2.gz WEUGTOAKPPZBNK-UHFFFAOYSA-N 2 2 409.578 4.358 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)Nc1cc(C[NH+](C)C)ccn1)c1cccc(C(F)(F)F)c1 ZINC000538822650 938720573 /nfs/dbraw/zinc/72/05/73/938720573.db2.gz XWQPFXDYUUKBKY-IBGZPJMESA-N 2 2 408.468 4.184 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1nc2ccc(Cl)cc2n1C ZINC000539203816 938818857 /nfs/dbraw/zinc/81/88/57/938818857.db2.gz ZFRZOIWDMUOKEL-SJORKVTESA-N 2 2 412.965 4.298 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1nc2ccc(Cl)cc2n1C ZINC000539203816 938818860 /nfs/dbraw/zinc/81/88/60/938818860.db2.gz ZFRZOIWDMUOKEL-SJORKVTESA-N 2 2 412.965 4.298 20 0 HIADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2)cc1Cl ZINC000539219561 938820505 /nfs/dbraw/zinc/82/05/05/938820505.db2.gz RQIYIVBBVPNWOP-OAQYLSRUSA-N 2 2 412.921 4.247 20 0 HIADLP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2)cc1Cl ZINC000539219561 938820506 /nfs/dbraw/zinc/82/05/06/938820506.db2.gz RQIYIVBBVPNWOP-OAQYLSRUSA-N 2 2 412.921 4.247 20 0 HIADLP Cc1cc2cccnc2c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539428770 938859398 /nfs/dbraw/zinc/85/93/98/938859398.db2.gz JPDLGYKTGWTKSE-DHIUTWEWSA-N 2 2 423.605 4.344 20 0 HIADLP Cc1cc2cccnc2c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539428770 938859399 /nfs/dbraw/zinc/85/93/99/938859399.db2.gz JPDLGYKTGWTKSE-DHIUTWEWSA-N 2 2 423.605 4.344 20 0 HIADLP Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000539454653 938863028 /nfs/dbraw/zinc/86/30/28/938863028.db2.gz NHOSCASFLOUCAJ-UXHICEINSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000539454653 938863030 /nfs/dbraw/zinc/86/30/30/938863030.db2.gz NHOSCASFLOUCAJ-UXHICEINSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539457841 938863556 /nfs/dbraw/zinc/86/35/56/938863556.db2.gz OANFBBCAUZKXCR-LEWJYISDSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539457841 938863557 /nfs/dbraw/zinc/86/35/57/938863557.db2.gz OANFBBCAUZKXCR-LEWJYISDSA-N 2 2 407.002 4.449 20 0 HIADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000539688808 938902014 /nfs/dbraw/zinc/90/20/14/938902014.db2.gz GKJGZHMDUCVBPZ-QGZVFWFLSA-N 2 2 422.577 4.069 20 0 HIADLP CC[N@H+](Cc1cccc(OC)c1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539830070 938949798 /nfs/dbraw/zinc/94/97/98/938949798.db2.gz NNXLNOKTUKNMAJ-UHFFFAOYSA-N 2 2 412.578 4.417 20 0 HIADLP CC[N@@H+](Cc1cccc(OC)c1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539830070 938949803 /nfs/dbraw/zinc/94/98/03/938949803.db2.gz NNXLNOKTUKNMAJ-UHFFFAOYSA-N 2 2 412.578 4.417 20 0 HIADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C[C@H](C)O1 ZINC000540244824 939164291 /nfs/dbraw/zinc/16/42/91/939164291.db2.gz GQFBYBODOVECRQ-IYBDPMFKSA-N 2 2 401.378 4.084 20 0 HIADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C[C@H](C)O1 ZINC000540244824 939164292 /nfs/dbraw/zinc/16/42/92/939164292.db2.gz GQFBYBODOVECRQ-IYBDPMFKSA-N 2 2 401.378 4.084 20 0 HIADLP CC[N@H+](CCC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1)CC(C)C ZINC000540260014 939175621 /nfs/dbraw/zinc/17/56/21/939175621.db2.gz RJWMLBQXAUEFSS-UHFFFAOYSA-N 2 2 411.594 4.162 20 0 HIADLP CC[N@@H+](CCC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1)CC(C)C ZINC000540260014 939175623 /nfs/dbraw/zinc/17/56/23/939175623.db2.gz RJWMLBQXAUEFSS-UHFFFAOYSA-N 2 2 411.594 4.162 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](c3ccccc3F)C3CCCC3)cc2)CC1 ZINC000540266035 939177482 /nfs/dbraw/zinc/17/74/82/939177482.db2.gz WGMLNOHEWKLLOC-DEOSSOPVSA-N 2 2 409.549 4.234 20 0 HIADLP Fc1cccc(Cl)c1CN1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000563646459 945233193 /nfs/dbraw/zinc/23/31/93/945233193.db2.gz ZQRMANBSTMJVSS-UHFFFAOYSA-N 2 2 412.940 4.478 20 0 HIADLP Cc1cccc([C@@H]([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C)c1 ZINC000540435973 939248185 /nfs/dbraw/zinc/24/81/85/939248185.db2.gz YJRYGBSNVORETD-XMMPIXPASA-N 2 2 409.574 4.143 20 0 HIADLP C[C@@H]1C[C@@H]1[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(Cl)cc1 ZINC000540519137 939285220 /nfs/dbraw/zinc/28/52/20/939285220.db2.gz BDWUPODCHQNRFI-WNYOCNMUSA-N 2 2 418.994 4.318 20 0 HIADLP CN(C(=O)Nc1ncc(C(C)(C)C)s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540555987 939304250 /nfs/dbraw/zinc/30/42/50/939304250.db2.gz WQBLUWIUMHIHSY-ZWKOTPCHSA-N 2 2 421.655 4.242 20 0 HIADLP CN(C(=O)Nc1ncc(C(C)(C)C)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540555987 939304255 /nfs/dbraw/zinc/30/42/55/939304255.db2.gz WQBLUWIUMHIHSY-ZWKOTPCHSA-N 2 2 421.655 4.242 20 0 HIADLP COC(=O)c1occc1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000540601644 939316424 /nfs/dbraw/zinc/31/64/24/939316424.db2.gz NUAKWNRSMGCUND-UHFFFAOYSA-N 2 2 401.466 4.268 20 0 HIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)c(F)c1 ZINC000540757031 939361399 /nfs/dbraw/zinc/36/13/99/939361399.db2.gz FPTDBYSKMTVIBZ-XJKSGUPXSA-N 2 2 407.331 4.297 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000541454468 939520909 /nfs/dbraw/zinc/52/09/09/939520909.db2.gz NBBOZEODVXITAT-PUHATCMVSA-N 2 2 406.574 4.055 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000541454468 939520914 /nfs/dbraw/zinc/52/09/14/939520914.db2.gz NBBOZEODVXITAT-PUHATCMVSA-N 2 2 406.574 4.055 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3ccccn3)cc2)CC1 ZINC000541545718 939550314 /nfs/dbraw/zinc/55/03/14/939550314.db2.gz JSFBPVKSDWMJAY-SANMLTNESA-N 2 2 418.560 4.237 20 0 HIADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)c2)CCO1 ZINC000541548359 939551527 /nfs/dbraw/zinc/55/15/27/939551527.db2.gz BWCBZGUZKDWNJC-UQBPGWFLSA-N 2 2 405.517 4.321 20 0 HIADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)c2)CCO1 ZINC000541548359 939551531 /nfs/dbraw/zinc/55/15/31/939551531.db2.gz BWCBZGUZKDWNJC-UQBPGWFLSA-N 2 2 405.517 4.321 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](c3cccnc3)c3ccc(F)cc3F)[nH+]c2)CC1 ZINC000541570292 939558114 /nfs/dbraw/zinc/55/81/14/939558114.db2.gz GAFSNEXVGLYFCM-DEOSSOPVSA-N 2 2 423.511 4.487 20 0 HIADLP COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)c1 ZINC000541601583 939565576 /nfs/dbraw/zinc/56/55/76/939565576.db2.gz IPRVQNVJBGNHHM-VQIMIIECSA-N 2 2 413.587 4.339 20 0 HIADLP COC(=O)c1cccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)c1 ZINC000541601583 939565582 /nfs/dbraw/zinc/56/55/82/939565582.db2.gz IPRVQNVJBGNHHM-VQIMIIECSA-N 2 2 413.587 4.339 20 0 HIADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000541769558 939626535 /nfs/dbraw/zinc/62/65/35/939626535.db2.gz IUCZAVZRVBPGRM-OFNKIYASSA-N 2 2 411.571 4.002 20 0 HIADLP COC(=O)c1coc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000541775511 939627501 /nfs/dbraw/zinc/62/75/01/939627501.db2.gz SPAJQACYHXWIMK-DNVCBOLYSA-N 2 2 410.436 4.258 20 0 HIADLP COC(=O)c1coc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000541775511 939627502 /nfs/dbraw/zinc/62/75/02/939627502.db2.gz SPAJQACYHXWIMK-DNVCBOLYSA-N 2 2 410.436 4.258 20 0 HIADLP COC(=O)c1coc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000541775513 939627526 /nfs/dbraw/zinc/62/75/26/939627526.db2.gz SPAJQACYHXWIMK-KXBFYZLASA-N 2 2 410.436 4.258 20 0 HIADLP COC(=O)c1coc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000541775513 939627527 /nfs/dbraw/zinc/62/75/27/939627527.db2.gz SPAJQACYHXWIMK-KXBFYZLASA-N 2 2 410.436 4.258 20 0 HIADLP Cc1cccc([C@H]2CCC[NH+]2CC2(C[N@H+]3CCC[C@H]3c3cccc(C)n3)COC2)n1 ZINC000542000892 939676716 /nfs/dbraw/zinc/67/67/16/939676716.db2.gz WKPGXLVVHSAHRA-PSWAGMNNSA-N 2 2 406.574 4.084 20 0 HIADLP Cc1cccc([C@H]2CCC[NH+]2CC2(C[N@@H+]3CCC[C@H]3c3cccc(C)n3)COC2)n1 ZINC000542000892 939676721 /nfs/dbraw/zinc/67/67/21/939676721.db2.gz WKPGXLVVHSAHRA-PSWAGMNNSA-N 2 2 406.574 4.084 20 0 HIADLP Cc1cccc([C@H]2CCC[N@H+]2CC2(C[NH+]3CCC[C@H]3c3cccc(C)n3)COC2)n1 ZINC000542000892 939676727 /nfs/dbraw/zinc/67/67/27/939676727.db2.gz WKPGXLVVHSAHRA-PSWAGMNNSA-N 2 2 406.574 4.084 20 0 HIADLP Cc1cccc([C@H]2CCC[N@@H+]2CC2(C[NH+]3CCC[C@H]3c3cccc(C)n3)COC2)n1 ZINC000542000892 939676736 /nfs/dbraw/zinc/67/67/36/939676736.db2.gz WKPGXLVVHSAHRA-PSWAGMNNSA-N 2 2 406.574 4.084 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542134881 939725290 /nfs/dbraw/zinc/72/52/90/939725290.db2.gz VWZDTAQCJXWHAQ-MRXNPFEDSA-N 2 2 406.477 4.004 20 0 HIADLP CN(C(=O)c1ccc(-c2cccs2)o1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542180609 939746828 /nfs/dbraw/zinc/74/68/28/939746828.db2.gz CRQFDDBVOBQXLK-OALUTQOASA-N 2 2 415.603 4.417 20 0 HIADLP CN(C(=O)c1ccc(-c2cccs2)o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542180609 939746831 /nfs/dbraw/zinc/74/68/31/939746831.db2.gz CRQFDDBVOBQXLK-OALUTQOASA-N 2 2 415.603 4.417 20 0 HIADLP Cc1ccccc1[C@H](C[NH+]1CCOCC1)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000542500285 939833182 /nfs/dbraw/zinc/83/31/82/939833182.db2.gz UFQHKVMBFXHLEP-MCEYFSPLSA-N 2 2 423.601 4.090 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542936195 939881703 /nfs/dbraw/zinc/88/17/03/939881703.db2.gz MIXTXFLXFRQONW-CTNGQTDRSA-N 2 2 420.479 4.123 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542936195 939881705 /nfs/dbraw/zinc/88/17/05/939881705.db2.gz MIXTXFLXFRQONW-CTNGQTDRSA-N 2 2 420.479 4.123 20 0 HIADLP CN(C(=O)Cc1csc2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543109456 939950154 /nfs/dbraw/zinc/95/01/54/939950154.db2.gz NOMQFVFBPNILGU-VXKWHMMOSA-N 2 2 413.631 4.239 20 0 HIADLP CN(C(=O)Cc1csc2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543109456 939950170 /nfs/dbraw/zinc/95/01/70/939950170.db2.gz NOMQFVFBPNILGU-VXKWHMMOSA-N 2 2 413.631 4.239 20 0 HIADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)ccc1F ZINC000543252772 940008870 /nfs/dbraw/zinc/00/88/70/940008870.db2.gz FHRJSTPVEBSYKE-UHFFFAOYSA-N 2 2 408.308 4.065 20 0 HIADLP CC[N@H+](C[C@@H](O)CCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000543436090 940063916 /nfs/dbraw/zinc/06/39/16/940063916.db2.gz BXLZBSKWSUHEGM-QHCPKHFHSA-N 2 2 410.606 4.193 20 0 HIADLP CC[N@@H+](C[C@@H](O)CCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000543436090 940063918 /nfs/dbraw/zinc/06/39/18/940063918.db2.gz BXLZBSKWSUHEGM-QHCPKHFHSA-N 2 2 410.606 4.193 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000543591154 940122765 /nfs/dbraw/zinc/12/27/65/940122765.db2.gz DNTZKRZCMSNKHW-ZEQRLZLVSA-N 2 2 418.647 4.467 20 0 HIADLP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000543653405 940151149 /nfs/dbraw/zinc/15/11/49/940151149.db2.gz PXJFQJDCDLLSRF-UHFFFAOYSA-N 2 2 406.979 4.019 20 0 HIADLP C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543767531 940180077 /nfs/dbraw/zinc/18/00/77/940180077.db2.gz KNAPAMNSBYSJBB-MOPGFXCFSA-N 2 2 419.573 4.376 20 0 HIADLP C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543767531 940180080 /nfs/dbraw/zinc/18/00/80/940180080.db2.gz KNAPAMNSBYSJBB-MOPGFXCFSA-N 2 2 419.573 4.376 20 0 HIADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543987819 940284202 /nfs/dbraw/zinc/28/42/02/940284202.db2.gz JPODEXXBFUHMBW-KRWDZBQOSA-N 2 2 420.960 4.215 20 0 HIADLP CCN1CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000544174979 940344285 /nfs/dbraw/zinc/34/42/85/940344285.db2.gz PYBOJFBOQYMEKD-QUCCMNQESA-N 2 2 406.477 4.276 20 0 HIADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cc2c(cc1Br)OCCO2 ZINC000544186565 940347943 /nfs/dbraw/zinc/34/79/43/940347943.db2.gz DZZZFMNXUBCEKQ-GFCCVEGCSA-N 2 2 420.332 4.318 20 0 HIADLP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544197926 940351363 /nfs/dbraw/zinc/35/13/63/940351363.db2.gz WTEVRCQNOBCQOD-IBGZPJMESA-N 2 2 410.562 4.202 20 0 HIADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544204798 940353041 /nfs/dbraw/zinc/35/30/41/940353041.db2.gz ARCUXXBXKNIBJH-IRLDBZIGSA-N 2 2 424.589 4.430 20 0 HIADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000544205620 940353778 /nfs/dbraw/zinc/35/37/78/940353778.db2.gz YHHUVVPMABGVAN-QFIPXVFZSA-N 2 2 420.601 4.146 20 0 HIADLP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1F ZINC000544259172 940370897 /nfs/dbraw/zinc/37/08/97/940370897.db2.gz UWKBCQQSIBBRNY-IBGZPJMESA-N 2 2 412.553 4.010 20 0 HIADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000544287536 940380401 /nfs/dbraw/zinc/38/04/01/940380401.db2.gz WKIIQAFJBMUQGV-UEVCKROQSA-N 2 2 420.601 4.272 20 0 HIADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000544287536 940380403 /nfs/dbraw/zinc/38/04/03/940380403.db2.gz WKIIQAFJBMUQGV-UEVCKROQSA-N 2 2 420.601 4.272 20 0 HIADLP COc1cc(Br)ccc1CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000544365437 940402648 /nfs/dbraw/zinc/40/26/48/940402648.db2.gz JKFSKRIXNBVDFL-UHFFFAOYSA-N 2 2 404.352 4.044 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3cccnc3)c3ccc(F)cc3F)[nH+]c2)C1 ZINC000544384585 940407742 /nfs/dbraw/zinc/40/77/42/940407742.db2.gz XOIHZDLCJNLUMF-WMZHIEFXSA-N 2 2 409.484 4.097 20 0 HIADLP CN(C)c1cc[nH+]cc1CNC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000544707257 940505205 /nfs/dbraw/zinc/50/52/05/940505205.db2.gz HQVLSDZMMTTXFF-UTKZUKDTSA-N 2 2 406.496 4.339 20 0 HIADLP CN(C)c1cc[nH+]cc1CNC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000544707257 940505207 /nfs/dbraw/zinc/50/52/07/940505207.db2.gz HQVLSDZMMTTXFF-UTKZUKDTSA-N 2 2 406.496 4.339 20 0 HIADLP CSCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545431087 940569552 /nfs/dbraw/zinc/56/95/52/940569552.db2.gz NFPNVSWQWRWEDT-YADHBBJMSA-N 2 2 418.651 4.351 20 0 HIADLP CSCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545431087 940569553 /nfs/dbraw/zinc/56/95/53/940569553.db2.gz NFPNVSWQWRWEDT-YADHBBJMSA-N 2 2 418.651 4.351 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000546619421 940861448 /nfs/dbraw/zinc/86/14/48/940861448.db2.gz YMTCZAPSWCFVSC-FQEVSTJZSA-N 2 2 400.485 4.410 20 0 HIADLP Cc1cc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000546746815 940875467 /nfs/dbraw/zinc/87/54/67/940875467.db2.gz LTPKXQFXQHZYPG-YADHBBJMSA-N 2 2 421.029 4.127 20 0 HIADLP Cc1cc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000546746815 940875471 /nfs/dbraw/zinc/87/54/71/940875471.db2.gz LTPKXQFXQHZYPG-YADHBBJMSA-N 2 2 421.029 4.127 20 0 HIADLP CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549007643 941142420 /nfs/dbraw/zinc/14/24/20/941142420.db2.gz UDSMBSBNQBNIOZ-LIONHTAISA-N 2 2 411.634 4.148 20 0 HIADLP CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549007643 941142421 /nfs/dbraw/zinc/14/24/21/941142421.db2.gz UDSMBSBNQBNIOZ-LIONHTAISA-N 2 2 411.634 4.148 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C[C@@H]1c1ccccc1 ZINC000550622031 941346497 /nfs/dbraw/zinc/34/64/97/941346497.db2.gz IHVVMVGVLWQZNT-LADGPHEKSA-N 2 2 403.526 4.135 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C[C@@H]1c1ccccc1 ZINC000550622031 941346499 /nfs/dbraw/zinc/34/64/99/941346499.db2.gz IHVVMVGVLWQZNT-LADGPHEKSA-N 2 2 403.526 4.135 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4sc(Br)cc43)[nH+]c2)C1 ZINC000550760151 941363926 /nfs/dbraw/zinc/36/39/26/941363926.db2.gz TUWGKDBDQKXPMB-ZFWWWQNUSA-N 2 2 407.381 4.145 20 0 HIADLP COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CCN2C2CC2)c1 ZINC000551164303 941420650 /nfs/dbraw/zinc/42/06/50/941420650.db2.gz VWHGLIKQOXOEBR-XJXBIZEQSA-N 2 2 405.586 4.398 20 0 HIADLP COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CCN2C2CC2)c1 ZINC000551164303 941420652 /nfs/dbraw/zinc/42/06/52/941420652.db2.gz VWHGLIKQOXOEBR-XJXBIZEQSA-N 2 2 405.586 4.398 20 0 HIADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000551519854 941493543 /nfs/dbraw/zinc/49/35/43/941493543.db2.gz HIKWILQOAPVURW-CQSZACIVSA-N 2 2 423.460 4.145 20 0 HIADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552046148 941573270 /nfs/dbraw/zinc/57/32/70/941573270.db2.gz ZHNJNYLIYHZFBS-XUVXKRRUSA-N 2 2 406.496 4.226 20 0 HIADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552046148 941573275 /nfs/dbraw/zinc/57/32/75/941573275.db2.gz ZHNJNYLIYHZFBS-XUVXKRRUSA-N 2 2 406.496 4.226 20 0 HIADLP CCN(C(C)=O)c1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cs1 ZINC000552274030 941620259 /nfs/dbraw/zinc/62/02/59/941620259.db2.gz ZNMQHXDDFAUQLM-UHFFFAOYSA-N 2 2 412.603 4.004 20 0 HIADLP CCN(C(C)=O)c1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cs1 ZINC000552274030 941620261 /nfs/dbraw/zinc/62/02/61/941620261.db2.gz ZNMQHXDDFAUQLM-UHFFFAOYSA-N 2 2 412.603 4.004 20 0 HIADLP Clc1ccc(CC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1Cl ZINC000552280987 941621487 /nfs/dbraw/zinc/62/14/87/941621487.db2.gz ALIVBYUEHUHQIN-NRFANRHFSA-N 2 2 418.412 4.428 20 0 HIADLP Clc1ccc(CC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1Cl ZINC000552280987 941621490 /nfs/dbraw/zinc/62/14/90/941621490.db2.gz ALIVBYUEHUHQIN-NRFANRHFSA-N 2 2 418.412 4.428 20 0 HIADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000552536440 941700436 /nfs/dbraw/zinc/70/04/36/941700436.db2.gz FLZLAVLZVWJZSL-NBGIEHNGSA-N 2 2 403.574 4.009 20 0 HIADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000552536440 941700448 /nfs/dbraw/zinc/70/04/48/941700448.db2.gz FLZLAVLZVWJZSL-NBGIEHNGSA-N 2 2 403.574 4.009 20 0 HIADLP CN(C(=O)Nc1cccc(-n2cccc2)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000553614935 941921451 /nfs/dbraw/zinc/92/14/51/941921451.db2.gz BCTWRLFRNXGHGV-ZEQRLZLVSA-N 2 2 423.605 4.278 20 0 HIADLP CN(C(=O)Nc1cccc(-n2cccc2)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000553614935 941921459 /nfs/dbraw/zinc/92/14/59/941921459.db2.gz BCTWRLFRNXGHGV-ZEQRLZLVSA-N 2 2 423.605 4.278 20 0 HIADLP Cc1ccc2cccc(NC(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000553614978 941921947 /nfs/dbraw/zinc/92/19/47/941921947.db2.gz DCUIWWKIWIWZBL-GOTSBHOMSA-N 2 2 423.605 4.344 20 0 HIADLP Cc1ccc2cccc(NC(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000553614978 941921950 /nfs/dbraw/zinc/92/19/50/941921950.db2.gz DCUIWWKIWIWZBL-GOTSBHOMSA-N 2 2 423.605 4.344 20 0 HIADLP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000554089623 942034221 /nfs/dbraw/zinc/03/42/21/942034221.db2.gz GMEPKGUMYGZZHK-MBDNFAEBSA-N 2 2 404.476 4.354 20 0 HIADLP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000554089623 942034224 /nfs/dbraw/zinc/03/42/24/942034224.db2.gz GMEPKGUMYGZZHK-MBDNFAEBSA-N 2 2 404.476 4.354 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N(Cc3ccccc3)C3CC3)C2)s1 ZINC000554851234 942288323 /nfs/dbraw/zinc/28/83/23/942288323.db2.gz DWGFITFVFZUOPL-OAQYLSRUSA-N 2 2 411.615 4.001 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N(Cc3ccccc3)C3CC3)C2)s1 ZINC000554851234 942288336 /nfs/dbraw/zinc/28/83/36/942288336.db2.gz DWGFITFVFZUOPL-OAQYLSRUSA-N 2 2 411.615 4.001 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N(Cc3ccccc3)C3CC3)C2)s1 ZINC000554851234 942288343 /nfs/dbraw/zinc/28/83/43/942288343.db2.gz DWGFITFVFZUOPL-OAQYLSRUSA-N 2 2 411.615 4.001 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N(Cc3ccccc3)C3CC3)C2)s1 ZINC000554851234 942288352 /nfs/dbraw/zinc/28/83/52/942288352.db2.gz DWGFITFVFZUOPL-OAQYLSRUSA-N 2 2 411.615 4.001 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cscc1C(F)(F)F ZINC000555093684 942383599 /nfs/dbraw/zinc/38/35/99/942383599.db2.gz YDOAKGVDSPYWNA-UHFFFAOYSA-N 3 2 403.558 4.395 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cscc1C(F)(F)F ZINC000555093684 942383602 /nfs/dbraw/zinc/38/36/02/942383602.db2.gz YDOAKGVDSPYWNA-UHFFFAOYSA-N 3 2 403.558 4.395 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(NC3CCC([N@H+](C)Cc4ccccc4)CC3)[nH+]c2)C1 ZINC000556253016 942826999 /nfs/dbraw/zinc/82/69/99/942826999.db2.gz HQNQKIAZCNRMOS-IWAAJCSBSA-N 3 2 407.606 4.077 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(NC3CCC([N@@H+](C)Cc4ccccc4)CC3)[nH+]c2)C1 ZINC000556253016 942827000 /nfs/dbraw/zinc/82/70/00/942827000.db2.gz HQNQKIAZCNRMOS-IWAAJCSBSA-N 3 2 407.606 4.077 20 0 HIADLP COc1ccc(Cl)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000557691697 943260235 /nfs/dbraw/zinc/26/02/35/943260235.db2.gz LAHBGWVKRQZERC-SFTDATJTSA-N 2 2 423.001 4.150 20 0 HIADLP COc1ccc(Cl)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000557691697 943260237 /nfs/dbraw/zinc/26/02/37/943260237.db2.gz LAHBGWVKRQZERC-SFTDATJTSA-N 2 2 423.001 4.150 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N(Cc3ccccc3)C(C)C)C2)s1 ZINC000558397132 943548343 /nfs/dbraw/zinc/54/83/43/943548343.db2.gz MKAHRPXMYJUHSQ-JOCHJYFZSA-N 2 2 413.631 4.247 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N(Cc3ccccc3)C(C)C)C2)s1 ZINC000558397132 943548350 /nfs/dbraw/zinc/54/83/50/943548350.db2.gz MKAHRPXMYJUHSQ-JOCHJYFZSA-N 2 2 413.631 4.247 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N(Cc3ccccc3)C(C)C)C2)s1 ZINC000558397132 943548366 /nfs/dbraw/zinc/54/83/66/943548366.db2.gz MKAHRPXMYJUHSQ-JOCHJYFZSA-N 2 2 413.631 4.247 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N(Cc3ccccc3)C(C)C)C2)s1 ZINC000558397132 943548377 /nfs/dbraw/zinc/54/83/77/943548377.db2.gz MKAHRPXMYJUHSQ-JOCHJYFZSA-N 2 2 413.631 4.247 20 0 HIADLP Fc1ccc2c(c1)onc2C1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000558466847 943567653 /nfs/dbraw/zinc/56/76/53/943567653.db2.gz RQFSLCLAOXLAOZ-JOCHJYFZSA-N 2 2 423.532 4.437 20 0 HIADLP Fc1ccc2c(c1)onc2C1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000558466847 943567657 /nfs/dbraw/zinc/56/76/57/943567657.db2.gz RQFSLCLAOXLAOZ-JOCHJYFZSA-N 2 2 423.532 4.437 20 0 HIADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)CC2Cc3ccccc3C2)o1 ZINC000558570352 943601436 /nfs/dbraw/zinc/60/14/36/943601436.db2.gz VAMDQGDYFGZYHJ-UHFFFAOYSA-N 2 2 400.320 4.156 20 0 HIADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)CC2Cc3ccccc3C2)o1 ZINC000558570352 943601456 /nfs/dbraw/zinc/60/14/56/943601456.db2.gz VAMDQGDYFGZYHJ-UHFFFAOYSA-N 2 2 400.320 4.156 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000558975364 943779094 /nfs/dbraw/zinc/77/90/94/943779094.db2.gz PIRCPLBNAXWPKA-FTBPSBKWSA-N 2 2 422.569 4.049 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000558975364 943779102 /nfs/dbraw/zinc/77/91/02/943779102.db2.gz PIRCPLBNAXWPKA-FTBPSBKWSA-N 2 2 422.569 4.049 20 0 HIADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H](C(F)(F)F)C1 ZINC000559339282 943898958 /nfs/dbraw/zinc/89/89/58/943898958.db2.gz HELCXRWNXLBJIX-ZIAGYGMSSA-N 2 2 414.859 4.373 20 0 HIADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@H](C(F)(F)F)C1 ZINC000559339282 943898962 /nfs/dbraw/zinc/89/89/62/943898962.db2.gz HELCXRWNXLBJIX-ZIAGYGMSSA-N 2 2 414.859 4.373 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(-c4ccc(Cl)cc4)c3)CC2)CC1 ZINC000559339552 943898988 /nfs/dbraw/zinc/89/89/88/943898988.db2.gz CVFUZXQDPRHBMK-UHFFFAOYSA-N 2 2 418.006 4.357 20 0 HIADLP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000559617939 944018080 /nfs/dbraw/zinc/01/80/80/944018080.db2.gz COPHAEFEEMOEGV-PMACEKPBSA-N 2 2 400.885 4.081 20 0 HIADLP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000559617939 944018092 /nfs/dbraw/zinc/01/80/92/944018092.db2.gz COPHAEFEEMOEGV-PMACEKPBSA-N 2 2 400.885 4.081 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C[C@H]1c1ccccc1 ZINC000559738807 944041919 /nfs/dbraw/zinc/04/19/19/944041919.db2.gz FNRPXFKHAHOUTA-UPVQGACJSA-N 2 2 400.526 4.259 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C[C@H]1c1ccccc1 ZINC000559738807 944041928 /nfs/dbraw/zinc/04/19/28/944041928.db2.gz FNRPXFKHAHOUTA-UPVQGACJSA-N 2 2 400.526 4.259 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H]1c1ccccc1 ZINC000559790469 944051272 /nfs/dbraw/zinc/05/12/72/944051272.db2.gz XIVMGBZTJUJZAP-ZLGUVYLKSA-N 2 2 401.913 4.010 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H]1c1ccccc1 ZINC000559790469 944051282 /nfs/dbraw/zinc/05/12/82/944051282.db2.gz XIVMGBZTJUJZAP-ZLGUVYLKSA-N 2 2 401.913 4.010 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H]1c1ccccc1 ZINC000559790464 944051413 /nfs/dbraw/zinc/05/14/13/944051413.db2.gz XIVMGBZTJUJZAP-NDXORKPFSA-N 2 2 401.913 4.010 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H]1c1ccccc1 ZINC000559790464 944051421 /nfs/dbraw/zinc/05/14/21/944051421.db2.gz XIVMGBZTJUJZAP-NDXORKPFSA-N 2 2 401.913 4.010 20 0 HIADLP Cc1nc2ccccc2n1C1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560198300 944194843 /nfs/dbraw/zinc/19/48/43/944194843.db2.gz LLWKTOFZYYAJML-XMMPIXPASA-N 2 2 418.585 4.273 20 0 HIADLP Cc1nc2ccccc2n1C1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560198300 944194846 /nfs/dbraw/zinc/19/48/46/944194846.db2.gz LLWKTOFZYYAJML-XMMPIXPASA-N 2 2 418.585 4.273 20 0 HIADLP CCOc1cc(C[N@H+](C)CCCn2cc[nH+]c2)cc(Br)c1OC(F)F ZINC000564322139 945514710 /nfs/dbraw/zinc/51/47/10/945514710.db2.gz CBYHGIIMNMIHDD-UHFFFAOYSA-N 2 2 418.282 4.168 20 0 HIADLP CCOc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc(Br)c1OC(F)F ZINC000564322139 945514733 /nfs/dbraw/zinc/51/47/33/945514733.db2.gz CBYHGIIMNMIHDD-UHFFFAOYSA-N 2 2 418.282 4.168 20 0 HIADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000565064546 945764959 /nfs/dbraw/zinc/76/49/59/945764959.db2.gz LTDYJXMBCSESRT-FQEVSTJZSA-N 2 2 401.489 4.357 20 0 HIADLP c1ccc(CCCO[C@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958081 945938811 /nfs/dbraw/zinc/93/88/11/945938811.db2.gz ZBYLCHIBWODILJ-UIOOFZCWSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCCO[C@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958081 945938823 /nfs/dbraw/zinc/93/88/23/945938823.db2.gz ZBYLCHIBWODILJ-UIOOFZCWSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCCO[C@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958081 945938831 /nfs/dbraw/zinc/93/88/31/945938831.db2.gz ZBYLCHIBWODILJ-UIOOFZCWSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCCO[C@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958081 945938837 /nfs/dbraw/zinc/93/88/37/945938837.db2.gz ZBYLCHIBWODILJ-UIOOFZCWSA-N 2 2 408.586 4.001 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000566389593 946018613 /nfs/dbraw/zinc/01/86/13/946018613.db2.gz FUDCKCMTOGISMB-JOCHJYFZSA-N 2 2 404.514 4.368 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566843708 946128320 /nfs/dbraw/zinc/12/83/20/946128320.db2.gz QOJGDEDIBPAOHV-FCHUYYIVSA-N 2 2 415.940 4.250 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566843708 946128335 /nfs/dbraw/zinc/12/83/35/946128335.db2.gz QOJGDEDIBPAOHV-FCHUYYIVSA-N 2 2 415.940 4.250 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000568419436 946535742 /nfs/dbraw/zinc/53/57/42/946535742.db2.gz DKXSCDMYRRPFCJ-XXBNENTESA-N 2 2 424.564 4.121 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000568419436 946535755 /nfs/dbraw/zinc/53/57/55/946535755.db2.gz DKXSCDMYRRPFCJ-XXBNENTESA-N 2 2 424.564 4.121 20 0 HIADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000568699467 946665473 /nfs/dbraw/zinc/66/54/73/946665473.db2.gz YCKLTRDLOAHSOG-UHFFFAOYSA-N 2 2 423.317 4.447 20 0 HIADLP C[C@@H]1C[N@H+](CC(Cc2ccccc2)Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000570559603 947298568 /nfs/dbraw/zinc/29/85/68/947298568.db2.gz IZCYHWLTJZPRIA-KCWPFWIISA-N 2 2 405.630 4.046 20 0 HIADLP C[C@@H]1C[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000570559603 947298607 /nfs/dbraw/zinc/29/86/07/947298607.db2.gz IZCYHWLTJZPRIA-KCWPFWIISA-N 2 2 405.630 4.046 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(I)cc1 ZINC000571191304 947538596 /nfs/dbraw/zinc/53/85/96/947538596.db2.gz GWTNNJQDSOBNHN-OAHLLOKOSA-N 2 2 417.294 4.387 20 0 HIADLP CC(C)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000571542965 947695348 /nfs/dbraw/zinc/69/53/48/947695348.db2.gz ZLLUAXQDOCRHCT-LQCXBHPOSA-N 2 2 406.014 4.491 20 0 HIADLP CC(C)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1 ZINC000571542965 947695355 /nfs/dbraw/zinc/69/53/55/947695355.db2.gz ZLLUAXQDOCRHCT-LQCXBHPOSA-N 2 2 406.014 4.491 20 0 HIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(-c2ccccc2F)s1 ZINC000572506791 947920110 /nfs/dbraw/zinc/92/01/10/947920110.db2.gz NTUNDASLGNUCGA-CSNJMZFVSA-N 2 2 415.578 4.288 20 0 HIADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(-c2ccccc2F)s1 ZINC000572506791 947920126 /nfs/dbraw/zinc/92/01/26/947920126.db2.gz NTUNDASLGNUCGA-CSNJMZFVSA-N 2 2 415.578 4.288 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000572767800 948004834 /nfs/dbraw/zinc/00/48/34/948004834.db2.gz UWHYQXPPHJWPGN-DLBZAZTESA-N 2 2 401.938 4.153 20 0 HIADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)c2ccccc2)CC1 ZINC000573656194 948270194 /nfs/dbraw/zinc/27/01/94/948270194.db2.gz QKIZRNXAYAVJKN-JOCHJYFZSA-N 2 2 411.496 4.303 20 0 HIADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558974 948472577 /nfs/dbraw/zinc/47/25/77/948472577.db2.gz QFNQLYMKCAKHCL-MAUKXSAKSA-N 2 2 406.393 4.489 20 0 HIADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558974 948472587 /nfs/dbraw/zinc/47/25/87/948472587.db2.gz QFNQLYMKCAKHCL-MAUKXSAKSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558974 948472593 /nfs/dbraw/zinc/47/25/93/948472593.db2.gz QFNQLYMKCAKHCL-MAUKXSAKSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558974 948472602 /nfs/dbraw/zinc/47/26/02/948472602.db2.gz QFNQLYMKCAKHCL-MAUKXSAKSA-N 2 2 406.393 4.489 20 0 HIADLP CCOc1cc[nH+]c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)c1 ZINC001164664063 719349675 /nfs/dbraw/zinc/34/96/75/719349675.db2.gz PQYSBSMPJUWLSG-UHFFFAOYSA-N 2 2 417.557 4.175 20 0 HIADLP CCOc1cc[nH+]c(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)c1 ZINC001164664063 719349678 /nfs/dbraw/zinc/34/96/78/719349678.db2.gz PQYSBSMPJUWLSG-UHFFFAOYSA-N 2 2 417.557 4.175 20 0 HIADLP Cc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(C(C)(C)C)[nH+]1 ZINC001164705897 719899359 /nfs/dbraw/zinc/89/93/59/719899359.db2.gz FLJSMPXKPYKZTB-UHFFFAOYSA-N 2 2 400.592 4.015 20 0 HIADLP Cc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(C(C)(C)C)[nH+]1 ZINC001164705897 719899361 /nfs/dbraw/zinc/89/93/61/719899361.db2.gz FLJSMPXKPYKZTB-UHFFFAOYSA-N 2 2 400.592 4.015 20 0 HIADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc(C)c2c1 ZINC001164833923 720544518 /nfs/dbraw/zinc/54/45/18/720544518.db2.gz CDYFQLFCNMQQSC-DCLXLUIPSA-N 2 2 419.573 4.126 20 0 HIADLP COc1ccc2[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)cc(C)c2c1 ZINC001164833923 720544527 /nfs/dbraw/zinc/54/45/27/720544527.db2.gz CDYFQLFCNMQQSC-DCLXLUIPSA-N 2 2 419.573 4.126 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc[nH+]1 ZINC001165029621 721818402 /nfs/dbraw/zinc/81/84/02/721818402.db2.gz ZVVZPGDDZGENKB-MDNUFGMLSA-N 2 2 422.621 4.235 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc[nH+]1 ZINC001165029621 721818404 /nfs/dbraw/zinc/81/84/04/721818404.db2.gz ZVVZPGDDZGENKB-MDNUFGMLSA-N 2 2 422.621 4.235 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]cn1 ZINC001165029621 721818405 /nfs/dbraw/zinc/81/84/05/721818405.db2.gz ZVVZPGDDZGENKB-MDNUFGMLSA-N 2 2 422.621 4.235 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]cn1 ZINC001165029621 721818408 /nfs/dbraw/zinc/81/84/08/721818408.db2.gz ZVVZPGDDZGENKB-MDNUFGMLSA-N 2 2 422.621 4.235 20 0 HIADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@@H](C)O1 ZINC000023626476 846732256 /nfs/dbraw/zinc/73/22/56/846732256.db2.gz HBWQIHCPGVOQCT-QZTJIDSGSA-N 2 2 415.965 4.181 20 0 HIADLP c1cn(Cc2ccccc2C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)c[nH+]1 ZINC000030651935 847752514 /nfs/dbraw/zinc/75/25/14/847752514.db2.gz OMENBHPCRAWTBG-UHFFFAOYSA-N 2 2 420.520 4.469 20 0 HIADLP CC1CC[NH+](Cc2cccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)c2)CC1 ZINC000038831773 848180734 /nfs/dbraw/zinc/18/07/34/848180734.db2.gz BNNSHHHHWXYXSC-UHFFFAOYSA-N 2 2 402.542 4.093 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000044944955 848616165 /nfs/dbraw/zinc/61/61/65/848616165.db2.gz ODBXAQREWCQICR-UHFFFAOYSA-N 2 2 410.521 4.043 20 0 HIADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045742093 848721437 /nfs/dbraw/zinc/72/14/37/848721437.db2.gz DEJMRTXSPVNKFP-JOCHJYFZSA-N 2 2 408.933 4.152 20 0 HIADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NCCCC[N@H+]3CCC[C@H](C)C3)n2)C1 ZINC000045976769 848762799 /nfs/dbraw/zinc/76/27/99/848762799.db2.gz AGKYIHCMXSPAFM-ROUUACIJSA-N 2 2 407.628 4.009 20 0 HIADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)n2)C1 ZINC000045976769 848762805 /nfs/dbraw/zinc/76/28/05/848762805.db2.gz AGKYIHCMXSPAFM-ROUUACIJSA-N 2 2 407.628 4.009 20 0 HIADLP C[C@H]1CCC[NH+](CCCCNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000045976769 848762809 /nfs/dbraw/zinc/76/28/09/848762809.db2.gz AGKYIHCMXSPAFM-ROUUACIJSA-N 2 2 407.628 4.009 20 0 HIADLP C[C@H]1CCC[NH+](CCCCNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000045976769 848762815 /nfs/dbraw/zinc/76/28/15/848762815.db2.gz AGKYIHCMXSPAFM-ROUUACIJSA-N 2 2 407.628 4.009 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4cccc(Cl)c4)CCCCC3)CC2)CC1 ZINC000050797579 849411387 /nfs/dbraw/zinc/41/13/87/849411387.db2.gz NYXRFWUEHZBSPV-UHFFFAOYSA-N 2 2 418.025 4.217 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CC2)CC1 ZINC000050801091 849411686 /nfs/dbraw/zinc/41/16/86/849411686.db2.gz SWMHHWHITXWUMB-GOSISDBHSA-N 2 2 417.663 4.188 20 0 HIADLP CCC(CC)[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000051761302 849513402 /nfs/dbraw/zinc/51/34/02/849513402.db2.gz KAWFKSSCHFPVLT-NRFANRHFSA-N 2 2 406.640 4.083 20 0 HIADLP COc1cc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)ccc1O ZINC000436931976 862110781 /nfs/dbraw/zinc/11/07/81/862110781.db2.gz NNTQYNYZWATASI-NVXWUHKLSA-N 2 2 401.576 4.267 20 0 HIADLP COc1cc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)ccc1O ZINC000436931976 862110800 /nfs/dbraw/zinc/11/08/00/862110800.db2.gz NNTQYNYZWATASI-NVXWUHKLSA-N 2 2 401.576 4.267 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000057783196 850714668 /nfs/dbraw/zinc/71/46/68/850714668.db2.gz GCXJKQREULFHHF-FQEVSTJZSA-N 2 2 421.589 4.056 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000057783196 850714681 /nfs/dbraw/zinc/71/46/81/850714681.db2.gz GCXJKQREULFHHF-FQEVSTJZSA-N 2 2 421.589 4.056 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)c1C ZINC000060545065 851141345 /nfs/dbraw/zinc/14/13/45/851141345.db2.gz RSVBZULFUNRMAK-UHFFFAOYSA-N 2 2 424.589 4.281 20 0 HIADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000063799518 851767714 /nfs/dbraw/zinc/76/77/14/851767714.db2.gz WFXBCBAKVVEGOQ-UHFFFAOYSA-N 2 2 421.589 4.057 20 0 HIADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)c1C ZINC000065304170 852102565 /nfs/dbraw/zinc/10/25/65/852102565.db2.gz VCQILLGTRJNRCY-UHFFFAOYSA-N 2 2 424.589 4.471 20 0 HIADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)c1C ZINC000065304170 852102570 /nfs/dbraw/zinc/10/25/70/852102570.db2.gz VCQILLGTRJNRCY-UHFFFAOYSA-N 2 2 424.589 4.471 20 0 HIADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000116191681 853291474 /nfs/dbraw/zinc/29/14/74/853291474.db2.gz LXEZKNYPCVNZQD-UHFFFAOYSA-N 2 2 406.555 4.041 20 0 HIADLP COc1c(Br)cc(Br)cc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000221786399 853876032 /nfs/dbraw/zinc/87/60/32/853876032.db2.gz KVDHHMTUSXSMBJ-UHFFFAOYSA-N 2 2 408.178 4.040 20 0 HIADLP COc1c(Br)cc(Br)cc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000221786399 853876035 /nfs/dbraw/zinc/87/60/35/853876035.db2.gz KVDHHMTUSXSMBJ-UHFFFAOYSA-N 2 2 408.178 4.040 20 0 HIADLP CC(=O)N(c1nc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cs1)c1ccc(C)cc1 ZINC000237068653 853960141 /nfs/dbraw/zinc/96/01/41/853960141.db2.gz BKGRGZKIDNDQPP-UHFFFAOYSA-N 2 2 408.571 4.488 20 0 HIADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000237177828 853976601 /nfs/dbraw/zinc/97/66/01/853976601.db2.gz KXRVTMXLKKZFAV-AWEZNQCLSA-N 2 2 400.876 4.284 20 0 HIADLP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000237177828 853976606 /nfs/dbraw/zinc/97/66/06/853976606.db2.gz KXRVTMXLKKZFAV-AWEZNQCLSA-N 2 2 400.876 4.284 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000237294931 854000661 /nfs/dbraw/zinc/00/06/61/854000661.db2.gz XFFSBUNSMJDAJU-UHFFFAOYSA-N 2 2 414.509 4.204 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000237775585 854095087 /nfs/dbraw/zinc/09/50/87/854095087.db2.gz QLSSQDVANJPMQH-VXKWHMMOSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000237775585 854095090 /nfs/dbraw/zinc/09/50/90/854095090.db2.gz QLSSQDVANJPMQH-VXKWHMMOSA-N 2 2 407.602 4.050 20 0 HIADLP FC(F)Oc1ccc(Br)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000237798528 854099215 /nfs/dbraw/zinc/09/92/15/854099215.db2.gz FMEVLCLRRWUZTP-UHFFFAOYSA-N 2 2 400.267 4.427 20 0 HIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000237885920 854114688 /nfs/dbraw/zinc/11/46/88/854114688.db2.gz HXOCAEUTDGZMKL-UHFFFAOYSA-N 2 2 420.948 4.381 20 0 HIADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000301072556 854288146 /nfs/dbraw/zinc/28/81/46/854288146.db2.gz HMKJRUHSUPLSKM-UHFFFAOYSA-N 2 2 424.932 4.161 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC2CC[NH+](C3CC3)CC2)n1 ZINC000301119503 854302778 /nfs/dbraw/zinc/30/27/78/854302778.db2.gz QAIYLZIUJFYDIP-UHFFFAOYSA-N 2 2 407.587 4.459 20 0 HIADLP c1csc(-c2noc(CCC[NH+]3CCN(c4cc[nH+]c5ccsc54)CC3)n2)c1 ZINC000301979277 854508158 /nfs/dbraw/zinc/50/81/58/854508158.db2.gz HGVJAKCIAKMVED-UHFFFAOYSA-N 2 2 411.556 4.163 20 0 HIADLP CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000302831657 854648460 /nfs/dbraw/zinc/64/84/60/854648460.db2.gz CONSCLOBDYFWGB-UHFFFAOYSA-N 2 2 402.420 4.140 20 0 HIADLP CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000302831657 854648466 /nfs/dbraw/zinc/64/84/66/854648466.db2.gz CONSCLOBDYFWGB-UHFFFAOYSA-N 2 2 402.420 4.140 20 0 HIADLP Cc1cccc(Nc2ccccc2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000302986280 854710645 /nfs/dbraw/zinc/71/06/45/854710645.db2.gz FACPMZMBRVGVJA-UHFFFAOYSA-N 2 2 420.601 4.335 20 0 HIADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000303040874 854734822 /nfs/dbraw/zinc/73/48/22/854734822.db2.gz PVUOWIOIDVXYJR-PMACEKPBSA-N 2 2 424.589 4.069 20 0 HIADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000303040874 854734827 /nfs/dbraw/zinc/73/48/27/854734827.db2.gz PVUOWIOIDVXYJR-PMACEKPBSA-N 2 2 424.589 4.069 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)cn2c1 ZINC000303622345 855083803 /nfs/dbraw/zinc/08/38/03/855083803.db2.gz XELNCAOMXDCRFP-GOSISDBHSA-N 2 2 410.587 4.122 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cccc(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC000379654760 855424916 /nfs/dbraw/zinc/42/49/16/855424916.db2.gz JMVVKDCKZIEQJL-LPHOPBHVSA-N 2 2 416.363 4.030 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]CC(=O)Nc2cccc(Br)c2)CC[N@H+]1Cc1ccccc1 ZINC000379654760 855424924 /nfs/dbraw/zinc/42/49/24/855424924.db2.gz JMVVKDCKZIEQJL-LPHOPBHVSA-N 2 2 416.363 4.030 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCCc4ncc(C(F)(F)F)cc43)[nH+]c2)C1 ZINC000427859540 856984453 /nfs/dbraw/zinc/98/44/53/856984453.db2.gz OKLSBQFQBDJWTM-VQIMIIECSA-N 2 2 405.468 4.125 20 0 HIADLP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427870321 856988108 /nfs/dbraw/zinc/98/81/08/856988108.db2.gz FDCFAXZCMGVBDH-KBXCAEBGSA-N 2 2 400.320 4.171 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000428260253 857130968 /nfs/dbraw/zinc/13/09/68/857130968.db2.gz MMGKXIZGQDTESQ-DENIHFKCSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000428260253 857130973 /nfs/dbraw/zinc/13/09/73/857130973.db2.gz MMGKXIZGQDTESQ-DENIHFKCSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2)cc1 ZINC000428260253 857130979 /nfs/dbraw/zinc/13/09/79/857130979.db2.gz MMGKXIZGQDTESQ-DENIHFKCSA-N 2 2 418.507 4.399 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000428260253 857130982 /nfs/dbraw/zinc/13/09/82/857130982.db2.gz MMGKXIZGQDTESQ-DENIHFKCSA-N 2 2 418.507 4.399 20 0 HIADLP CCOc1c(Cl)cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000428546037 857256051 /nfs/dbraw/zinc/25/60/51/857256051.db2.gz KDCKWQJXIXREAG-FQEVSTJZSA-N 2 2 418.965 4.128 20 0 HIADLP CCOc1c(Cl)cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000428546037 857256065 /nfs/dbraw/zinc/25/60/65/857256065.db2.gz KDCKWQJXIXREAG-FQEVSTJZSA-N 2 2 418.965 4.128 20 0 HIADLP FC(F)(F)COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000428549922 857260263 /nfs/dbraw/zinc/26/02/63/857260263.db2.gz QADVWRZWVLDLAG-NRFANRHFSA-N 2 2 408.464 4.008 20 0 HIADLP FC(F)(F)COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000428549922 857260272 /nfs/dbraw/zinc/26/02/72/857260272.db2.gz QADVWRZWVLDLAG-NRFANRHFSA-N 2 2 408.464 4.008 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000437591970 862905647 /nfs/dbraw/zinc/90/56/47/862905647.db2.gz PYCNZBBITSNRNG-NRFANRHFSA-N 2 2 405.498 4.155 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000437591970 862905663 /nfs/dbraw/zinc/90/56/63/862905663.db2.gz PYCNZBBITSNRNG-NRFANRHFSA-N 2 2 405.498 4.155 20 0 HIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429436668 857667375 /nfs/dbraw/zinc/66/73/75/857667375.db2.gz WWZLPYCTIWBSEB-GGAORHGYSA-N 2 2 423.601 4.408 20 0 HIADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429436668 857667378 /nfs/dbraw/zinc/66/73/78/857667378.db2.gz WWZLPYCTIWBSEB-GGAORHGYSA-N 2 2 423.601 4.408 20 0 HIADLP Cc1ccc(-c2noc(CCC[NH+]3CCC(Oc4cc[nH+]cc4C)CC3)n2)cc1F ZINC000429728627 857853314 /nfs/dbraw/zinc/85/33/14/857853314.db2.gz ZNKIWVWEQQKBFE-UHFFFAOYSA-N 2 2 410.493 4.364 20 0 HIADLP CC[N@@H+](Cc1nc(Cc2ccccc2C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000430505962 858204121 /nfs/dbraw/zinc/20/41/21/858204121.db2.gz UIPWYUUDMUUHPP-UHFFFAOYSA-N 2 2 405.546 4.102 20 0 HIADLP CC[N@H+](Cc1nc(Cc2ccccc2C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000430505962 858204129 /nfs/dbraw/zinc/20/41/29/858204129.db2.gz UIPWYUUDMUUHPP-UHFFFAOYSA-N 2 2 405.546 4.102 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cn2c1 ZINC000430675426 858264857 /nfs/dbraw/zinc/26/48/57/858264857.db2.gz MLRJYFNMNDMORJ-FPOVZHCZSA-N 2 2 422.598 4.045 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cn2c1 ZINC000430675426 858264862 /nfs/dbraw/zinc/26/48/62/858264862.db2.gz MLRJYFNMNDMORJ-FPOVZHCZSA-N 2 2 422.598 4.045 20 0 HIADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000431396475 858593459 /nfs/dbraw/zinc/59/34/59/858593459.db2.gz NDXPKGVBLHTDNF-CRAIPNDOSA-N 2 2 406.393 4.489 20 0 HIADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000431396475 858593462 /nfs/dbraw/zinc/59/34/62/858593462.db2.gz NDXPKGVBLHTDNF-CRAIPNDOSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000431396475 858593468 /nfs/dbraw/zinc/59/34/68/858593468.db2.gz NDXPKGVBLHTDNF-CRAIPNDOSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000431396475 858593474 /nfs/dbraw/zinc/59/34/74/858593474.db2.gz NDXPKGVBLHTDNF-CRAIPNDOSA-N 2 2 406.393 4.489 20 0 HIADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000432944035 859440306 /nfs/dbraw/zinc/44/03/06/859440306.db2.gz PUYHSUMGWYAKOF-UHFFFAOYSA-N 2 2 404.514 4.328 20 0 HIADLP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688999 860461721 /nfs/dbraw/zinc/46/17/21/860461721.db2.gz RUNZOBWRYFAXQN-PXNSSMCTSA-N 2 2 412.603 4.213 20 0 HIADLP Cc1cc(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)n1-c1nccs1 ZINC000434687417 860461774 /nfs/dbraw/zinc/46/17/74/860461774.db2.gz XMPDOKCFQXNJIH-UHFFFAOYSA-N 2 2 423.586 4.146 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3nc(C(F)(F)F)cs3)cc2)CC1 ZINC000467748521 881554753 /nfs/dbraw/zinc/55/47/53/881554753.db2.gz YVQJWRKIXIPHEV-OAHLLOKOSA-N 2 2 412.525 4.150 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000438141260 863560811 /nfs/dbraw/zinc/56/08/11/863560811.db2.gz JXAFDJJDRZZULI-UHFFFAOYSA-N 2 2 422.617 4.352 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000438141260 863560830 /nfs/dbraw/zinc/56/08/30/863560830.db2.gz JXAFDJJDRZZULI-UHFFFAOYSA-N 2 2 422.617 4.352 20 0 HIADLP Cc1cc(C)c2nc(C3CC3)cc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000438377376 863836158 /nfs/dbraw/zinc/83/61/58/863836158.db2.gz UJFQISWDZLRLFE-UHFFFAOYSA-N 2 2 420.601 4.017 20 0 HIADLP CCC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000468021517 881856731 /nfs/dbraw/zinc/85/67/31/881856731.db2.gz UPEPNACQMMFVQM-OAQYLSRUSA-N 2 2 422.564 4.056 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468048284 881875679 /nfs/dbraw/zinc/87/56/79/881875679.db2.gz OETUKUOILSXQIP-MGPUTAFESA-N 2 2 413.363 4.326 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468048284 881875683 /nfs/dbraw/zinc/87/56/83/881875683.db2.gz OETUKUOILSXQIP-MGPUTAFESA-N 2 2 413.363 4.326 20 0 HIADLP Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000440759760 865893722 /nfs/dbraw/zinc/89/37/22/865893722.db2.gz CSSDSZKFSMNOMS-AOHZBQACSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000440759760 865893723 /nfs/dbraw/zinc/89/37/23/865893723.db2.gz CSSDSZKFSMNOMS-AOHZBQACSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000440814857 865930932 /nfs/dbraw/zinc/93/09/32/865930932.db2.gz FXWGQFBNENDIPI-OFNKIYASSA-N 2 2 411.594 4.053 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000440814857 865930940 /nfs/dbraw/zinc/93/09/40/865930940.db2.gz FXWGQFBNENDIPI-OFNKIYASSA-N 2 2 411.594 4.053 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N2CCCc3ccccc32)c(C)c1 ZINC000441361266 866430903 /nfs/dbraw/zinc/43/09/03/866430903.db2.gz FSCYTOQTWWSLEJ-NFBKMPQASA-N 2 2 402.542 4.199 20 0 HIADLP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1 ZINC000441377632 866446407 /nfs/dbraw/zinc/44/64/07/866446407.db2.gz MCCQDVBWDZJWJB-MBSDFSHPSA-N 2 2 404.514 4.061 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441404756 866477553 /nfs/dbraw/zinc/47/75/53/866477553.db2.gz JMJHBOYMTIZICG-PBXXJUDPSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441404756 866477564 /nfs/dbraw/zinc/47/75/64/866477564.db2.gz JMJHBOYMTIZICG-PBXXJUDPSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441404756 866477573 /nfs/dbraw/zinc/47/75/73/866477573.db2.gz JMJHBOYMTIZICG-PBXXJUDPSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441404756 866477585 /nfs/dbraw/zinc/47/75/85/866477585.db2.gz JMJHBOYMTIZICG-PBXXJUDPSA-N 2 2 417.597 4.229 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416693 866492961 /nfs/dbraw/zinc/49/29/61/866492961.db2.gz DSXCRKXGSRHXDK-ZWSUVBHBSA-N 2 2 413.581 4.122 20 0 HIADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416693 866492967 /nfs/dbraw/zinc/49/29/67/866492967.db2.gz DSXCRKXGSRHXDK-ZWSUVBHBSA-N 2 2 413.581 4.122 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416693 866492972 /nfs/dbraw/zinc/49/29/72/866492972.db2.gz DSXCRKXGSRHXDK-ZWSUVBHBSA-N 2 2 413.581 4.122 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416693 866492981 /nfs/dbraw/zinc/49/29/81/866492981.db2.gz DSXCRKXGSRHXDK-ZWSUVBHBSA-N 2 2 413.581 4.122 20 0 HIADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3nc(C4CCCCC4)cs3)CC2)C[C@H](C)O1 ZINC000444688166 868958517 /nfs/dbraw/zinc/95/85/17/868958517.db2.gz IPGDTAREYAUUAH-KDURUIRLSA-N 2 2 421.651 4.281 20 0 HIADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3nc(C4CCCCC4)cs3)CC2)C[C@H](C)O1 ZINC000444688166 868958526 /nfs/dbraw/zinc/95/85/26/868958526.db2.gz IPGDTAREYAUUAH-KDURUIRLSA-N 2 2 421.651 4.281 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000444824654 869034013 /nfs/dbraw/zinc/03/40/13/869034013.db2.gz UUESKRXAMMURIK-UHFFFAOYSA-N 2 2 418.891 4.039 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)c2)CC1 ZINC000444940537 869120697 /nfs/dbraw/zinc/12/06/97/869120697.db2.gz GEQRAKJFGCFRDI-OAQYLSRUSA-N 2 2 409.578 4.106 20 0 HIADLP CC(C)C[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000445214284 869278995 /nfs/dbraw/zinc/27/89/95/869278995.db2.gz MMKJPSVRBQQUEY-CEMLEFRQSA-N 2 2 411.594 4.075 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000468377630 882320262 /nfs/dbraw/zinc/32/02/62/882320262.db2.gz BBCVZHRNNOIIHW-OAQYLSRUSA-N 2 2 422.598 4.374 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000468377630 882320280 /nfs/dbraw/zinc/32/02/80/882320280.db2.gz BBCVZHRNNOIIHW-OAQYLSRUSA-N 2 2 422.598 4.374 20 0 HIADLP COc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCC[C@H]1c1ccccc1OC ZINC000447349054 871252562 /nfs/dbraw/zinc/25/25/62/871252562.db2.gz UUDKMQGYTDJSNQ-QYEXWFEISA-N 2 2 410.558 4.039 20 0 HIADLP COc1ccccc1[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCC[C@H]1c1ccccc1OC ZINC000447349054 871252576 /nfs/dbraw/zinc/25/25/76/871252576.db2.gz UUDKMQGYTDJSNQ-QYEXWFEISA-N 2 2 410.558 4.039 20 0 HIADLP COc1ccccc1[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000447349054 871252590 /nfs/dbraw/zinc/25/25/90/871252590.db2.gz UUDKMQGYTDJSNQ-QYEXWFEISA-N 2 2 410.558 4.039 20 0 HIADLP COc1ccccc1[C@H]1CCC[NH+]1C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000447349054 871252610 /nfs/dbraw/zinc/25/26/10/871252610.db2.gz UUDKMQGYTDJSNQ-QYEXWFEISA-N 2 2 410.558 4.039 20 0 HIADLP Cn1cc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccc(F)cc2)cn1 ZINC000447599652 871506772 /nfs/dbraw/zinc/50/67/72/871506772.db2.gz KHEUKXPBICKCHC-ZKGSSEMHSA-N 2 2 404.533 4.434 20 0 HIADLP Cn1cc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccc(F)cc2)cn1 ZINC000447599652 871506807 /nfs/dbraw/zinc/50/68/07/871506807.db2.gz KHEUKXPBICKCHC-ZKGSSEMHSA-N 2 2 404.533 4.434 20 0 HIADLP Cc1ccc(-c2ccsc2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000460501222 873187037 /nfs/dbraw/zinc/18/70/37/873187037.db2.gz XRIQHGWRUUMCAL-UHFFFAOYSA-N 2 2 411.615 4.404 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)([NH+]2CCCCC2)CC1 ZINC000461278157 874285267 /nfs/dbraw/zinc/28/52/67/874285267.db2.gz NCBYNJVHBIGLFG-UHFFFAOYSA-N 2 2 410.606 4.146 20 0 HIADLP CC1CC[NH+]([C@@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)c2cccs2)CC1 ZINC000468788845 882860551 /nfs/dbraw/zinc/86/05/51/882860551.db2.gz CAUXPYDPGXDSAL-QFIPXVFZSA-N 2 2 422.598 4.125 20 0 HIADLP CC(C)[NH+]1CCC(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000462008284 875128294 /nfs/dbraw/zinc/12/82/94/875128294.db2.gz AQHXLYRELXXPPN-UHFFFAOYSA-N 2 2 416.569 4.335 20 0 HIADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(OC[C@@H]2CCOC2)c1 ZINC000463190617 876249144 /nfs/dbraw/zinc/24/91/44/876249144.db2.gz JPTQXSSYMVXGSM-HSZRJFAPSA-N 2 2 408.586 4.207 20 0 HIADLP CC(=O)NC1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000463282283 876340049 /nfs/dbraw/zinc/34/00/49/876340049.db2.gz BIKSXHPCJLWPHK-UHFFFAOYSA-N 2 2 402.542 4.135 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000463293059 876353638 /nfs/dbraw/zinc/35/36/38/876353638.db2.gz CGOBVTJSUQKYNU-UHFFFAOYSA-N 2 2 400.494 4.125 20 0 HIADLP FC(F)(F)COc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463298949 876359972 /nfs/dbraw/zinc/35/99/72/876359972.db2.gz GKKDIWRXNBGBCA-IHWFROFDSA-N 2 2 405.464 4.308 20 0 HIADLP FC(F)(F)COc1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463298949 876359989 /nfs/dbraw/zinc/35/99/89/876359989.db2.gz GKKDIWRXNBGBCA-IHWFROFDSA-N 2 2 405.464 4.308 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H]1c1ccccc1 ZINC000463704401 876823786 /nfs/dbraw/zinc/82/37/86/876823786.db2.gz QGQCZIVJCBORLR-XZOQPEGZSA-N 2 2 415.541 4.453 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H]1c1ccccc1 ZINC000463704401 876823793 /nfs/dbraw/zinc/82/37/93/876823793.db2.gz QGQCZIVJCBORLR-XZOQPEGZSA-N 2 2 415.541 4.453 20 0 HIADLP C[NH+](C)C[C@H](NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc(F)cc1 ZINC000463708945 876828063 /nfs/dbraw/zinc/82/80/63/876828063.db2.gz CPURCDKWSAMITK-QFIPXVFZSA-N 2 2 421.520 4.450 20 0 HIADLP CC[N@H+](Cc1cnn(C)c1C(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000464898388 878206252 /nfs/dbraw/zinc/20/62/52/878206252.db2.gz UXTYAUKFHGJQLE-UHFFFAOYSA-N 2 2 424.515 4.152 20 0 HIADLP CC[N@@H+](Cc1cnn(C)c1C(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000464898388 878206272 /nfs/dbraw/zinc/20/62/72/878206272.db2.gz UXTYAUKFHGJQLE-UHFFFAOYSA-N 2 2 424.515 4.152 20 0 HIADLP CC1(C)CC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC(C)(C)[NH2+]1 ZINC000503356908 912332478 /nfs/dbraw/zinc/33/24/78/912332478.db2.gz SOSUJCLGJKMPJY-SFHVURJKSA-N 2 2 422.411 4.011 20 0 HIADLP Cc1sc2nc([C@H](C)[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)nc(N)c2c1C ZINC000503389903 912372962 /nfs/dbraw/zinc/37/29/62/912372962.db2.gz INDLNPNYBIJIEB-HOCLYGCPSA-N 2 2 410.591 4.364 20 0 HIADLP Cc1sc2nc([C@H](C)[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)nc(N)c2c1C ZINC000503389903 912372988 /nfs/dbraw/zinc/37/29/88/912372988.db2.gz INDLNPNYBIJIEB-HOCLYGCPSA-N 2 2 410.591 4.364 20 0 HIADLP CCC(CC)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccs1 ZINC000465727162 879305131 /nfs/dbraw/zinc/30/51/31/879305131.db2.gz PWXHMTVLPDIHIW-OAQYLSRUSA-N 2 2 420.667 4.475 20 0 HIADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000503438373 912450482 /nfs/dbraw/zinc/45/04/82/912450482.db2.gz HDPWNXWTCPOKDZ-AVRDEDQJSA-N 2 2 410.537 4.042 20 0 HIADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000503438373 912450490 /nfs/dbraw/zinc/45/04/90/912450490.db2.gz HDPWNXWTCPOKDZ-AVRDEDQJSA-N 2 2 410.537 4.042 20 0 HIADLP Cc1cccc([C@H]2CCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C ZINC000466138150 879848875 /nfs/dbraw/zinc/84/88/75/879848875.db2.gz IFRVGSLNMRDFNL-HSZRJFAPSA-N 2 2 412.622 4.100 20 0 HIADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000467181923 880908947 /nfs/dbraw/zinc/90/89/47/880908947.db2.gz PYWJMEKYQASGLK-HNNXBMFYSA-N 2 2 416.393 4.143 20 0 HIADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000469766499 883937799 /nfs/dbraw/zinc/93/77/99/883937799.db2.gz XIBPAKAEJGJIGY-NZQKXSOJSA-N 2 2 409.578 4.052 20 0 HIADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000469766501 883938748 /nfs/dbraw/zinc/93/87/48/883938748.db2.gz XIBPAKAEJGJIGY-REWPJTCUSA-N 2 2 409.578 4.052 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469865264 884054053 /nfs/dbraw/zinc/05/40/53/884054053.db2.gz VDVQKKQGWCTGEP-TXTKFYIRSA-N 2 2 409.578 4.050 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000469865264 884054063 /nfs/dbraw/zinc/05/40/63/884054063.db2.gz VDVQKKQGWCTGEP-TXTKFYIRSA-N 2 2 409.578 4.050 20 0 HIADLP C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H]1c1ccccc1 ZINC000471939713 886738135 /nfs/dbraw/zinc/73/81/35/886738135.db2.gz LLVKDODHTBBJHE-VWNXMTODSA-N 2 2 413.525 4.169 20 0 HIADLP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[C@@H]1c1ccccc1 ZINC000471939713 886738142 /nfs/dbraw/zinc/73/81/42/886738142.db2.gz LLVKDODHTBBJHE-VWNXMTODSA-N 2 2 413.525 4.169 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Br)cc2)C[C@H](C)O1 ZINC000474467034 889330376 /nfs/dbraw/zinc/33/03/76/889330376.db2.gz GYMNXYVJOXQWEE-IYBDPMFKSA-N 2 2 421.354 4.487 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Br)cc2)C[C@H](C)O1 ZINC000474467034 889330384 /nfs/dbraw/zinc/33/03/84/889330384.db2.gz GYMNXYVJOXQWEE-IYBDPMFKSA-N 2 2 421.354 4.487 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C[N@@H+]1CCc3ccccc3C1)C(C)(C)C)C2 ZINC000474959874 889815142 /nfs/dbraw/zinc/81/51/42/889815142.db2.gz LPELCSLYBCKGTA-AUSIDOKSSA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C[N@H+]1CCc3ccccc3C1)C(C)(C)C)C2 ZINC000474959874 889815149 /nfs/dbraw/zinc/81/51/49/889815149.db2.gz LPELCSLYBCKGTA-AUSIDOKSSA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C[N@@H+]1CCc3ccccc3C1)C(C)(C)C)CC2 ZINC000474959874 889815150 /nfs/dbraw/zinc/81/51/50/889815150.db2.gz LPELCSLYBCKGTA-AUSIDOKSSA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C[N@H+]1CCc3ccccc3C1)C(C)(C)C)CC2 ZINC000474959874 889815158 /nfs/dbraw/zinc/81/51/58/889815158.db2.gz LPELCSLYBCKGTA-AUSIDOKSSA-N 2 2 422.617 4.227 20 0 HIADLP C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000475318209 890236642 /nfs/dbraw/zinc/23/66/42/890236642.db2.gz PEMJHGOIUXPGDY-QZTJIDSGSA-N 2 2 421.029 4.032 20 0 HIADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1C ZINC000475353149 890277730 /nfs/dbraw/zinc/27/77/30/890277730.db2.gz DPYXKWUOPWQBOE-VNCLNFNDSA-N 2 2 411.512 4.415 20 0 HIADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000475561655 890491066 /nfs/dbraw/zinc/49/10/66/890491066.db2.gz LVSYWTHQBUGCCS-MNEFBYGVSA-N 2 2 400.485 4.251 20 0 HIADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000476028412 890960827 /nfs/dbraw/zinc/96/08/27/890960827.db2.gz WRVBATUFCZBSPY-MRXNPFEDSA-N 2 2 408.949 4.261 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000476987635 891914419 /nfs/dbraw/zinc/91/44/19/891914419.db2.gz UGOQOWCSUFTHCS-KRWDZBQOSA-N 2 2 409.521 4.203 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000476987635 891914444 /nfs/dbraw/zinc/91/44/44/891914444.db2.gz UGOQOWCSUFTHCS-KRWDZBQOSA-N 2 2 409.521 4.203 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(C)c2nc3ccccc3s2)CC1 ZINC000478051874 893200877 /nfs/dbraw/zinc/20/08/77/893200877.db2.gz DSBLTMSIJBYNOL-SFHVURJKSA-N 2 2 414.619 4.236 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)c2nc3ccccc3s2)CC1 ZINC000478051874 893200906 /nfs/dbraw/zinc/20/09/06/893200906.db2.gz DSBLTMSIJBYNOL-SFHVURJKSA-N 2 2 414.619 4.236 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(Br)c(Cl)s3)[nH+]c2)C1 ZINC000478578336 893856772 /nfs/dbraw/zinc/85/67/72/893856772.db2.gz YOMATEHMCZGGNT-LBPRGKRZSA-N 2 2 415.788 4.311 20 0 HIADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(N2CCCC2=O)c1 ZINC000479486291 894808264 /nfs/dbraw/zinc/80/82/64/894808264.db2.gz HQEYCIWXQNZGLE-IJNIYJAUSA-N 2 2 409.496 4.269 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000479536436 894841312 /nfs/dbraw/zinc/84/13/12/894841312.db2.gz LLYSFKVHROZLRN-HXUWFJFHSA-N 2 2 409.578 4.058 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000479536436 894841314 /nfs/dbraw/zinc/84/13/14/894841314.db2.gz LLYSFKVHROZLRN-HXUWFJFHSA-N 2 2 409.578 4.058 20 0 HIADLP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000479899674 895247145 /nfs/dbraw/zinc/24/71/45/895247145.db2.gz JUFYKLAZNWSFSS-OAQYLSRUSA-N 2 2 408.464 4.015 20 0 HIADLP COc1ccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000480087615 895448327 /nfs/dbraw/zinc/44/83/27/895448327.db2.gz GZIMRFYQGVHRKL-QGDZQMKYSA-N 2 2 422.617 4.117 20 0 HIADLP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000480087615 895448347 /nfs/dbraw/zinc/44/83/47/895448347.db2.gz GZIMRFYQGVHRKL-QGDZQMKYSA-N 2 2 422.617 4.117 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000480363269 895769100 /nfs/dbraw/zinc/76/91/00/895769100.db2.gz LWICBIHQBVXXIM-DYESRHJHSA-N 2 2 407.480 4.161 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000480363269 895769117 /nfs/dbraw/zinc/76/91/17/895769117.db2.gz LWICBIHQBVXXIM-DYESRHJHSA-N 2 2 407.480 4.161 20 0 HIADLP COc1cc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)ccc1OC(F)F ZINC000480562231 895921332 /nfs/dbraw/zinc/92/13/32/895921332.db2.gz ZEUAVAHDSZTXAZ-INIZCTEOSA-N 2 2 401.457 4.435 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1nc(-c2ccccc2)cs1 ZINC000480606607 895971172 /nfs/dbraw/zinc/97/11/72/895971172.db2.gz HFXCKQQKOCKOLK-GOSISDBHSA-N 2 2 420.582 4.049 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(I)cc1 ZINC000480788455 896153876 /nfs/dbraw/zinc/15/38/76/896153876.db2.gz UFUUCNPKZSNAHC-HNNXBMFYSA-N 2 2 417.294 4.387 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000480900911 896257401 /nfs/dbraw/zinc/25/74/01/896257401.db2.gz SKMPYIIREBPHGE-OXQOHEQNSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000480900911 896257415 /nfs/dbraw/zinc/25/74/15/896257415.db2.gz SKMPYIIREBPHGE-OXQOHEQNSA-N 2 2 413.363 4.097 20 0 HIADLP CCN(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1nc2ccccc2s1 ZINC000481169858 896504720 /nfs/dbraw/zinc/50/47/20/896504720.db2.gz JEQZYDYZGCTJCW-QUCCMNQESA-N 2 2 422.598 4.149 20 0 HIADLP CCN(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1nc2ccccc2s1 ZINC000481169858 896504736 /nfs/dbraw/zinc/50/47/36/896504736.db2.gz JEQZYDYZGCTJCW-QUCCMNQESA-N 2 2 422.598 4.149 20 0 HIADLP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176356 896512640 /nfs/dbraw/zinc/51/26/40/896512640.db2.gz RISXEARRJIRURC-FXAWDEMLSA-N 2 2 415.965 4.096 20 0 HIADLP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176356 896512659 /nfs/dbraw/zinc/51/26/59/896512659.db2.gz RISXEARRJIRURC-FXAWDEMLSA-N 2 2 415.965 4.096 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000481178866 896516916 /nfs/dbraw/zinc/51/69/16/896516916.db2.gz XEWYKDBZVGCEQU-QPXQOZNCSA-N 2 2 413.993 4.406 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000481178866 896516928 /nfs/dbraw/zinc/51/69/28/896516928.db2.gz XEWYKDBZVGCEQU-QPXQOZNCSA-N 2 2 413.993 4.406 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000481185301 896529657 /nfs/dbraw/zinc/52/96/57/896529657.db2.gz UKCUXGLTGRJTJX-XGHQBKJUSA-N 2 2 417.500 4.115 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000481185301 896529677 /nfs/dbraw/zinc/52/96/77/896529677.db2.gz UKCUXGLTGRJTJX-XGHQBKJUSA-N 2 2 417.500 4.115 20 0 HIADLP CCSc1ccccc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481188007 896536202 /nfs/dbraw/zinc/53/62/02/896536202.db2.gz HYKGOPCUBCRREA-IBGZPJMESA-N 2 2 400.588 4.360 20 0 HIADLP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cn2)c1 ZINC000481305424 896652345 /nfs/dbraw/zinc/65/23/45/896652345.db2.gz GFVADYLEPPXYAB-DVECYGJZSA-N 2 2 418.541 4.278 20 0 HIADLP COc1cccc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cn2)c1 ZINC000481305424 896652354 /nfs/dbraw/zinc/65/23/54/896652354.db2.gz GFVADYLEPPXYAB-DVECYGJZSA-N 2 2 418.541 4.278 20 0 HIADLP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cn2)c1 ZINC000481305426 896653250 /nfs/dbraw/zinc/65/32/50/896653250.db2.gz GFVADYLEPPXYAB-NTKDMRAZSA-N 2 2 418.541 4.278 20 0 HIADLP COc1cccc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cn2)c1 ZINC000481305426 896653254 /nfs/dbraw/zinc/65/32/54/896653254.db2.gz GFVADYLEPPXYAB-NTKDMRAZSA-N 2 2 418.541 4.278 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(Br)ccc1F ZINC000481308220 896654654 /nfs/dbraw/zinc/65/46/54/896654654.db2.gz FXQFVUROXVKNMN-HNNXBMFYSA-N 2 2 407.327 4.271 20 0 HIADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2ccsc2S1 ZINC000481404184 896810671 /nfs/dbraw/zinc/81/06/71/896810671.db2.gz MQVYSDYGKOKRHK-JXFKEZNVSA-N 2 2 404.601 4.174 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000481417101 896820435 /nfs/dbraw/zinc/82/04/35/896820435.db2.gz QMZHSKHYTKLBHQ-FOIQADDNSA-N 2 2 406.343 4.026 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000481417101 896820441 /nfs/dbraw/zinc/82/04/41/896820441.db2.gz QMZHSKHYTKLBHQ-FOIQADDNSA-N 2 2 406.343 4.026 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000481417103 896820814 /nfs/dbraw/zinc/82/08/14/896820814.db2.gz QMZHSKHYTKLBHQ-MGPUTAFESA-N 2 2 406.343 4.026 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(Br)ccc1F ZINC000481417103 896820816 /nfs/dbraw/zinc/82/08/16/896820816.db2.gz QMZHSKHYTKLBHQ-MGPUTAFESA-N 2 2 406.343 4.026 20 0 HIADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481418847 896821944 /nfs/dbraw/zinc/82/19/44/896821944.db2.gz UTZLGEDPSSJNPT-KRWDZBQOSA-N 2 2 403.592 4.137 20 0 HIADLP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCCO2 ZINC000481421057 896824047 /nfs/dbraw/zinc/82/40/47/896824047.db2.gz HNHBCDSKUYVKAD-XMMPIXPASA-N 2 2 410.558 4.018 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481716328 897108209 /nfs/dbraw/zinc/10/82/09/897108209.db2.gz KIMBIONVXDNJRN-GJZUVCINSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000481716328 897108217 /nfs/dbraw/zinc/10/82/17/897108217.db2.gz KIMBIONVXDNJRN-GJZUVCINSA-N 3 2 406.618 4.458 20 0 HIADLP Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000481729729 897123432 /nfs/dbraw/zinc/12/34/32/897123432.db2.gz XWZUDAUMUKGPEU-UWJYYQICSA-N 2 2 402.380 4.461 20 0 HIADLP Cc1cc(Br)cc(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000481729729 897123438 /nfs/dbraw/zinc/12/34/38/897123438.db2.gz XWZUDAUMUKGPEU-UWJYYQICSA-N 2 2 402.380 4.461 20 0 HIADLP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000481729709 897123906 /nfs/dbraw/zinc/12/39/06/897123906.db2.gz XWZUDAUMUKGPEU-DYESRHJHSA-N 2 2 402.380 4.461 20 0 HIADLP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000481729709 897123910 /nfs/dbraw/zinc/12/39/10/897123910.db2.gz XWZUDAUMUKGPEU-DYESRHJHSA-N 2 2 402.380 4.461 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481731782 897125620 /nfs/dbraw/zinc/12/56/20/897125620.db2.gz DNDZBKDJBBYZAY-NVQXNPDNSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000481731782 897125631 /nfs/dbraw/zinc/12/56/31/897125631.db2.gz DNDZBKDJBBYZAY-NVQXNPDNSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483463385 899103129 /nfs/dbraw/zinc/10/31/29/899103129.db2.gz NYXPJGOWMXVREB-IRXDYDNUSA-N 2 2 419.447 4.273 20 0 HIADLP Cc1c(CSC(C)C)cccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000483949277 899601689 /nfs/dbraw/zinc/60/16/89/899601689.db2.gz RLQHTJVAGMRKAX-UHFFFAOYSA-N 2 2 418.651 4.317 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000484149011 899769430 /nfs/dbraw/zinc/76/94/30/899769430.db2.gz SNNXDGKHOVKRPE-KOSHJBKYSA-N 2 2 424.976 4.122 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000484149011 899769441 /nfs/dbraw/zinc/76/94/41/899769441.db2.gz SNNXDGKHOVKRPE-KOSHJBKYSA-N 2 2 424.976 4.122 20 0 HIADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000484153780 899774292 /nfs/dbraw/zinc/77/42/92/899774292.db2.gz APXOOBKOXRTCRZ-CYFREDJKSA-N 2 2 418.541 4.278 20 0 HIADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000484153780 899774320 /nfs/dbraw/zinc/77/43/20/899774320.db2.gz APXOOBKOXRTCRZ-CYFREDJKSA-N 2 2 418.541 4.278 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC(F)(F)F)cc1 ZINC000484159303 899779425 /nfs/dbraw/zinc/77/94/25/899779425.db2.gz KEQIQQPKSYLIDQ-UCNVEGJOSA-N 2 2 422.491 4.161 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC(F)(F)F)cc1 ZINC000484159303 899779434 /nfs/dbraw/zinc/77/94/34/899779434.db2.gz KEQIQQPKSYLIDQ-UCNVEGJOSA-N 2 2 422.491 4.161 20 0 HIADLP CC[C@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc2c(c1)OCCO2 ZINC000484164464 899783774 /nfs/dbraw/zinc/78/37/74/899783774.db2.gz RCJFQGBAUDBCJC-KNQAVFIVSA-N 2 2 410.558 4.399 20 0 HIADLP Cc1c([C@H](C)[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)nnn1-c1ccccc1 ZINC000484505239 899995979 /nfs/dbraw/zinc/99/59/79/899995979.db2.gz UYLAVYZYRLNADI-UFYCRDLUSA-N 2 2 403.574 4.383 20 0 HIADLP Cc1c([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)nnn1-c1ccccc1 ZINC000484505241 899996715 /nfs/dbraw/zinc/99/67/15/899996715.db2.gz UYLAVYZYRLNADI-ZSTWQFLISA-N 2 2 403.574 4.383 20 0 HIADLP Cc1c([C@@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)nnn1-c1ccccc1 ZINC000484505241 899996718 /nfs/dbraw/zinc/99/67/18/899996718.db2.gz UYLAVYZYRLNADI-ZSTWQFLISA-N 2 2 403.574 4.383 20 0 HIADLP CCC[N@H+](Cc1nc([C@@H](C)SCC)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000485674187 900925078 /nfs/dbraw/zinc/92/50/78/900925078.db2.gz VNGIODAMLQCFFY-MRXNPFEDSA-N 2 2 418.611 4.172 20 0 HIADLP CCC[N@@H+](Cc1nc([C@@H](C)SCC)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000485674187 900925087 /nfs/dbraw/zinc/92/50/87/900925087.db2.gz VNGIODAMLQCFFY-MRXNPFEDSA-N 2 2 418.611 4.172 20 0 HIADLP C[N@H+](Cc1cncc(OCc2ccccc2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000488220674 902702267 /nfs/dbraw/zinc/70/22/67/902702267.db2.gz USVLZDLIOANFBB-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP C[N@@H+](Cc1cncc(OCc2ccccc2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000488220674 902702277 /nfs/dbraw/zinc/70/22/77/902702277.db2.gz USVLZDLIOANFBB-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP c1cn(Cc2ccccc2C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)c[nH+]1 ZINC000488454118 902831784 /nfs/dbraw/zinc/83/17/84/902831784.db2.gz ZSNPGDNWSWLFDN-UHFFFAOYSA-N 2 2 404.495 4.073 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000489253151 903290637 /nfs/dbraw/zinc/29/06/37/903290637.db2.gz HOHXBMYYNDMWGJ-MOPGFXCFSA-N 2 2 412.553 4.025 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000489253151 903290655 /nfs/dbraw/zinc/29/06/55/903290655.db2.gz HOHXBMYYNDMWGJ-MOPGFXCFSA-N 2 2 412.553 4.025 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccccc2C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000489254604 903292613 /nfs/dbraw/zinc/29/26/13/903292613.db2.gz KHEOMBFOGBWCCY-LIOHBJMPSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccccc2C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000489254604 903292628 /nfs/dbraw/zinc/29/26/28/903292628.db2.gz KHEOMBFOGBWCCY-LIOHBJMPSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccccc2C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000489254604 903292640 /nfs/dbraw/zinc/29/26/40/903292640.db2.gz KHEOMBFOGBWCCY-LIOHBJMPSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccccc2C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000489254604 903292652 /nfs/dbraw/zinc/29/26/52/903292652.db2.gz KHEOMBFOGBWCCY-LIOHBJMPSA-N 4 2 414.682 4.296 20 0 HIADLP CCC[NH+]1CCC([NH+](C)Cc2ccccc2C[N@@H+](C)C2CC[NH+](CCC)CC2)CC1 ZINC000489461422 903398609 /nfs/dbraw/zinc/39/86/09/903398609.db2.gz XJGILEOKQHXSLI-UHFFFAOYSA-N 4 2 414.682 4.299 20 0 HIADLP CCC[NH+]1CCC([NH+](C)Cc2ccccc2C[N@H+](C)C2CC[NH+](CCC)CC2)CC1 ZINC000489461422 903398619 /nfs/dbraw/zinc/39/86/19/903398619.db2.gz XJGILEOKQHXSLI-UHFFFAOYSA-N 4 2 414.682 4.299 20 0 HIADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCO2 ZINC000489575620 903473201 /nfs/dbraw/zinc/47/32/01/903473201.db2.gz WLMOUIZKLPCZKG-JOCHJYFZSA-N 2 2 400.950 4.484 20 0 HIADLP COCC[NH+]1CCC([NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000490117819 903775480 /nfs/dbraw/zinc/77/54/80/903775480.db2.gz IJOIEQBPJJDRNW-NRFANRHFSA-N 2 2 421.354 4.378 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000490157134 903798093 /nfs/dbraw/zinc/79/80/93/903798093.db2.gz LREXCSRYRPZJLL-FCHUYYIVSA-N 2 2 417.956 4.101 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000490157134 903798099 /nfs/dbraw/zinc/79/80/99/903798099.db2.gz LREXCSRYRPZJLL-FCHUYYIVSA-N 2 2 417.956 4.101 20 0 HIADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000490168443 903806406 /nfs/dbraw/zinc/80/64/06/903806406.db2.gz VRIPSZYJSKZSFJ-KSFYIVLOSA-N 2 2 407.936 4.323 20 0 HIADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000491055773 904398999 /nfs/dbraw/zinc/39/89/99/904398999.db2.gz HTOUXRKXXXIADQ-QFIPXVFZSA-N 2 2 402.542 4.165 20 0 HIADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000491055773 904399011 /nfs/dbraw/zinc/39/90/11/904399011.db2.gz HTOUXRKXXXIADQ-QFIPXVFZSA-N 2 2 402.542 4.165 20 0 HIADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1=O ZINC000506205417 914844322 /nfs/dbraw/zinc/84/43/22/914844322.db2.gz LYEUNKVKLJVVDJ-IBGZPJMESA-N 2 2 422.411 4.024 20 0 HIADLP CC[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000493106854 905022232 /nfs/dbraw/zinc/02/22/32/905022232.db2.gz WLERIFFJTJZSJQ-GOSISDBHSA-N 2 2 410.459 4.232 20 0 HIADLP COC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000493961335 905310516 /nfs/dbraw/zinc/31/05/16/905310516.db2.gz PFNULPNVFXTRND-IIBYNOLFSA-N 2 2 405.945 4.269 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494482731 905765363 /nfs/dbraw/zinc/76/53/63/905765363.db2.gz LTJRJRNJJOQBCO-GCJKJVERSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494482731 905765367 /nfs/dbraw/zinc/76/53/67/905765367.db2.gz LTJRJRNJJOQBCO-GCJKJVERSA-N 2 2 406.505 4.408 20 0 HIADLP CCOc1c(Cl)cccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000494981596 906146748 /nfs/dbraw/zinc/14/67/48/906146748.db2.gz UETWKTMAIWCILE-UHFFFAOYSA-N 3 2 408.030 4.367 20 0 HIADLP CCOc1c(Cl)cccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000494981596 906146753 /nfs/dbraw/zinc/14/67/53/906146753.db2.gz UETWKTMAIWCILE-UHFFFAOYSA-N 3 2 408.030 4.367 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000495069630 906220071 /nfs/dbraw/zinc/22/00/71/906220071.db2.gz MLQJUWNGHOTPMF-PMACEKPBSA-N 2 2 420.022 4.218 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000495069630 906220087 /nfs/dbraw/zinc/22/00/87/906220087.db2.gz MLQJUWNGHOTPMF-PMACEKPBSA-N 2 2 420.022 4.218 20 0 HIADLP COc1ccc([C@@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c2ccccc2)cc1 ZINC000495069850 906220972 /nfs/dbraw/zinc/22/09/72/906220972.db2.gz UYLQQPOIUMYCIY-DHLKQENFSA-N 2 2 402.542 4.432 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495416398 906438161 /nfs/dbraw/zinc/43/81/61/906438161.db2.gz ZMYQNNAQNZJLLK-XUZZJYLKSA-N 3 2 409.593 4.333 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495416398 906438166 /nfs/dbraw/zinc/43/81/66/906438166.db2.gz ZMYQNNAQNZJLLK-XUZZJYLKSA-N 3 2 409.593 4.333 20 0 HIADLP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000495420816 906441117 /nfs/dbraw/zinc/44/11/17/906441117.db2.gz LJRNEQNGJRPVHR-MRXNPFEDSA-N 2 2 408.512 4.420 20 0 HIADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497492321 906977165 /nfs/dbraw/zinc/97/71/65/906977165.db2.gz QHTDBAHYWFZVTB-PKTZIBPZSA-N 2 2 413.512 4.126 20 0 HIADLP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000497492321 906977173 /nfs/dbraw/zinc/97/71/73/906977173.db2.gz QHTDBAHYWFZVTB-PKTZIBPZSA-N 2 2 413.512 4.126 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497492322 906977514 /nfs/dbraw/zinc/97/75/14/906977514.db2.gz QHTDBAHYWFZVTB-XZOQPEGZSA-N 2 2 413.512 4.126 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497492322 906977527 /nfs/dbraw/zinc/97/75/27/906977527.db2.gz QHTDBAHYWFZVTB-XZOQPEGZSA-N 2 2 413.512 4.126 20 0 HIADLP Cc1cccnc1[C@H]([NH2+]CC1(C[NH2+][C@H](c2ncccc2C)C(C)C)COC1)C(C)C ZINC000497845788 907324379 /nfs/dbraw/zinc/32/43/79/907324379.db2.gz SOTIMXLCQIZCTN-SZPZYZBQSA-N 2 2 410.606 4.384 20 0 HIADLP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1Cl ZINC000499215803 908571541 /nfs/dbraw/zinc/57/15/41/908571541.db2.gz RKXUZYVYCKHNOA-XWSHUIEDSA-N 2 2 409.961 4.231 20 0 HIADLP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1Cl ZINC000499215803 908571551 /nfs/dbraw/zinc/57/15/51/908571551.db2.gz RKXUZYVYCKHNOA-XWSHUIEDSA-N 2 2 409.961 4.231 20 0 HIADLP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500010143 909462438 /nfs/dbraw/zinc/46/24/38/909462438.db2.gz SUJOQAUQRWRBTQ-HYBUGGRVSA-N 2 2 402.542 4.229 20 0 HIADLP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500010143 909462468 /nfs/dbraw/zinc/46/24/68/909462468.db2.gz SUJOQAUQRWRBTQ-HYBUGGRVSA-N 2 2 402.542 4.229 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000500099598 909577685 /nfs/dbraw/zinc/57/76/85/909577685.db2.gz BNHIZAIWXPHWPV-NKKJXINNSA-N 2 2 419.573 4.232 20 0 HIADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccco1 ZINC000500113764 909594758 /nfs/dbraw/zinc/59/47/58/909594758.db2.gz PVFBQWYWYLMJRN-NNWRFLSQSA-N 2 2 423.561 4.263 20 0 HIADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3c[nH]nc3-c3ccccc3)CC2)c1 ZINC000500458115 909870130 /nfs/dbraw/zinc/87/01/30/909870130.db2.gz CXFSSHNSPYKMDY-UHFFFAOYSA-N 2 2 409.965 4.032 20 0 HIADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3c[nH]nc3-c3cccs3)CC2)c1 ZINC000500460026 909871800 /nfs/dbraw/zinc/87/18/00/909871800.db2.gz GDSJUCQMSJPZPX-UHFFFAOYSA-N 2 2 415.994 4.094 20 0 HIADLP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501959580 910945880 /nfs/dbraw/zinc/94/58/80/910945880.db2.gz QUZGXVVAAGIHPU-GBXCKJPGSA-N 2 2 402.542 4.229 20 0 HIADLP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501959580 910945889 /nfs/dbraw/zinc/94/58/89/910945889.db2.gz QUZGXVVAAGIHPU-GBXCKJPGSA-N 2 2 402.542 4.229 20 0 HIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(c3cccc(Br)c3)CC2)CC1 ZINC000513208549 921624652 /nfs/dbraw/zinc/62/46/52/921624652.db2.gz WEJRUVZVINHVEB-UHFFFAOYSA-N 2 2 405.302 4.487 20 0 HIADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1Br ZINC000502342325 911320432 /nfs/dbraw/zinc/32/04/32/911320432.db2.gz BTXRUXRZEJWGJN-INIZCTEOSA-N 2 2 404.352 4.370 20 0 HIADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1Br ZINC000502342325 911320444 /nfs/dbraw/zinc/32/04/44/911320444.db2.gz BTXRUXRZEJWGJN-INIZCTEOSA-N 2 2 404.352 4.370 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502450387 911437548 /nfs/dbraw/zinc/43/75/48/911437548.db2.gz GRLRCTSNACOEEA-UHFFFAOYSA-N 2 2 414.553 4.311 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503074874 912042234 /nfs/dbraw/zinc/04/22/34/912042234.db2.gz SXHDYTHSHAKENS-BWKNWUBXSA-N 2 2 416.569 4.104 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503074874 912042252 /nfs/dbraw/zinc/04/22/52/912042252.db2.gz SXHDYTHSHAKENS-BWKNWUBXSA-N 2 2 416.569 4.104 20 0 HIADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000503074375 912043536 /nfs/dbraw/zinc/04/35/36/912043536.db2.gz JQLYSDYXJRSSQO-YSZBQJHXSA-N 2 2 404.514 4.155 20 0 HIADLP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000503074375 912043549 /nfs/dbraw/zinc/04/35/49/912043549.db2.gz JQLYSDYXJRSSQO-YSZBQJHXSA-N 2 2 404.514 4.155 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503085098 912054431 /nfs/dbraw/zinc/05/44/31/912054431.db2.gz DCCAGUKEZYMPNE-QTEQDKRBSA-N 2 2 402.542 4.060 20 0 HIADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503085098 912054446 /nfs/dbraw/zinc/05/44/46/912054446.db2.gz DCCAGUKEZYMPNE-QTEQDKRBSA-N 2 2 402.542 4.060 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506367916 914992542 /nfs/dbraw/zinc/99/25/42/914992542.db2.gz HAQQHFRCIZBLHY-UHFFFAOYSA-N 2 2 413.400 4.169 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506367916 914992559 /nfs/dbraw/zinc/99/25/59/914992559.db2.gz HAQQHFRCIZBLHY-UHFFFAOYSA-N 2 2 413.400 4.169 20 0 HIADLP O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000506934238 915737460 /nfs/dbraw/zinc/73/74/60/915737460.db2.gz VQCUVNWAARNULX-UHFFFAOYSA-N 2 2 410.905 4.082 20 0 HIADLP COc1ccc(C)cc1C1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCOCC1 ZINC000507457370 916226977 /nfs/dbraw/zinc/22/69/77/916226977.db2.gz BHFOPNBQPCOJFW-UHFFFAOYSA-N 2 2 414.512 4.058 20 0 HIADLP COc1ccc([C@@H](CNC2CC[NH+](CCC(F)(F)F)CC2)[NH+]2CCCCC2)cc1 ZINC000507463431 916230144 /nfs/dbraw/zinc/23/01/44/916230144.db2.gz SXYFHAWSILLGSW-OAQYLSRUSA-N 2 2 413.528 4.229 20 0 HIADLP CSCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1nnc2ccccn21 ZINC000507463629 916231265 /nfs/dbraw/zinc/23/12/65/916231265.db2.gz UQLFBBNIXNDDMI-CBPXPLCBSA-N 2 2 421.614 4.024 20 0 HIADLP CSCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1nnc2ccccn21 ZINC000507463629 916231298 /nfs/dbraw/zinc/23/12/98/916231298.db2.gz UQLFBBNIXNDDMI-CBPXPLCBSA-N 2 2 421.614 4.024 20 0 HIADLP NC(=O)[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000507501246 916266805 /nfs/dbraw/zinc/26/68/05/916266805.db2.gz MQWYAHCYLOZUGA-DEOSSOPVSA-N 2 2 414.484 4.054 20 0 HIADLP C[C@H]([NH2+]C1(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CCOCC1)c1ccccc1 ZINC000507964848 916818389 /nfs/dbraw/zinc/81/83/89/916818389.db2.gz IJJCOAAHBJLSMS-KPQWGBOZSA-N 2 2 416.606 4.377 20 0 HIADLP COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OCc1ccccc1 ZINC000508678395 917441834 /nfs/dbraw/zinc/44/18/34/917441834.db2.gz NUGYSLVWLHPLJG-NRFANRHFSA-N 2 2 405.542 4.462 20 0 HIADLP COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OCc1ccccc1 ZINC000508678395 917441840 /nfs/dbraw/zinc/44/18/40/917441840.db2.gz NUGYSLVWLHPLJG-NRFANRHFSA-N 2 2 405.542 4.462 20 0 HIADLP CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000508678726 917442000 /nfs/dbraw/zinc/44/20/00/917442000.db2.gz OPCAPQAXFNZJSR-HNNXBMFYSA-N 2 2 422.367 4.045 20 0 HIADLP CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000508678726 917442006 /nfs/dbraw/zinc/44/20/06/917442006.db2.gz OPCAPQAXFNZJSR-HNNXBMFYSA-N 2 2 422.367 4.045 20 0 HIADLP C[C@@H](c1cccs1)[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000508822227 917575429 /nfs/dbraw/zinc/57/54/29/917575429.db2.gz NQFLNOCUFKVMHF-IBGZPJMESA-N 2 2 407.587 4.053 20 0 HIADLP C[C@@H](c1cccs1)[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000508822227 917575443 /nfs/dbraw/zinc/57/54/43/917575443.db2.gz NQFLNOCUFKVMHF-IBGZPJMESA-N 2 2 407.587 4.053 20 0 HIADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccco1 ZINC000509569498 918218936 /nfs/dbraw/zinc/21/89/36/918218936.db2.gz NEHFWKYBBSQKIO-XKPYVIEYSA-N 2 2 421.545 4.133 20 0 HIADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000509603226 918252348 /nfs/dbraw/zinc/25/23/48/918252348.db2.gz KVBRNOCXQCMILK-RPBOFIJWSA-N 2 2 411.565 4.190 20 0 HIADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000509603226 918252367 /nfs/dbraw/zinc/25/23/67/918252367.db2.gz KVBRNOCXQCMILK-RPBOFIJWSA-N 2 2 411.565 4.190 20 0 HIADLP C[NH+]1CCC(CNC(=O)Cc2cc3c(ccc4ccccc34)o2)([NH+]2CCCCC2)CC1 ZINC000510258852 918790819 /nfs/dbraw/zinc/79/08/19/918790819.db2.gz OFGGAXPWLLWJHR-UHFFFAOYSA-N 2 2 419.569 4.195 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ncc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000510496911 918944714 /nfs/dbraw/zinc/94/47/14/918944714.db2.gz RVYHRSLAQGEWDZ-WBVHZDCISA-N 2 2 423.388 4.421 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ncc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000510496911 918944718 /nfs/dbraw/zinc/94/47/18/918944718.db2.gz RVYHRSLAQGEWDZ-WBVHZDCISA-N 2 2 423.388 4.421 20 0 HIADLP CN(c1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1)C1CC[NH+](C)CC1 ZINC000562359784 945064706 /nfs/dbraw/zinc/06/47/06/945064706.db2.gz FPRBAGWHUVGNQX-DEOSSOPVSA-N 2 2 415.528 4.069 20 0 HIADLP CN(c1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1)C1CC[NH+](C)CC1 ZINC000562359784 945064718 /nfs/dbraw/zinc/06/47/18/945064718.db2.gz FPRBAGWHUVGNQX-DEOSSOPVSA-N 2 2 415.528 4.069 20 0 HIADLP C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000511234113 919838638 /nfs/dbraw/zinc/83/86/38/919838638.db2.gz UKISXOPBPYOFBK-HXUWFJFHSA-N 2 2 403.929 4.108 20 0 HIADLP C[N@@H+]1CCO[C@H]([C@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000511376937 919975926 /nfs/dbraw/zinc/97/59/26/919975926.db2.gz ILMGYBWIJXPAPT-XZOQPEGZSA-N 2 2 406.014 4.098 20 0 HIADLP C[N@H+]1CCO[C@H]([C@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000511376937 919975940 /nfs/dbraw/zinc/97/59/40/919975940.db2.gz ILMGYBWIJXPAPT-XZOQPEGZSA-N 2 2 406.014 4.098 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000511407375 920021161 /nfs/dbraw/zinc/02/11/61/920021161.db2.gz PTKVCRUHBNEUOY-UHFFFAOYSA-N 2 2 424.548 4.493 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000511407375 920021176 /nfs/dbraw/zinc/02/11/76/920021176.db2.gz PTKVCRUHBNEUOY-UHFFFAOYSA-N 2 2 424.548 4.493 20 0 HIADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3ncc(C[NH+](C)C)s3)s2)cc1 ZINC000512058278 920826928 /nfs/dbraw/zinc/82/69/28/920826928.db2.gz NHBMGVAYGKAYAJ-ZDUSSCGKSA-N 2 2 402.589 4.496 20 0 HIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)s1 ZINC000512137116 920883549 /nfs/dbraw/zinc/88/35/49/920883549.db2.gz SPWHGYHDTWADPT-UHFFFAOYSA-N 2 2 417.582 4.406 20 0 HIADLP C[N@H+](Cc1ccc(-c2ccc(Br)cc2)s1)C1CC[NH+](CCO)CC1 ZINC000513547819 921884948 /nfs/dbraw/zinc/88/49/48/921884948.db2.gz GEQZEWSUAKZKOL-UHFFFAOYSA-N 2 2 409.393 4.066 20 0 HIADLP C[N@@H+](Cc1ccc(-c2ccc(Br)cc2)s1)C1CC[NH+](CCO)CC1 ZINC000513547819 921884949 /nfs/dbraw/zinc/88/49/49/921884949.db2.gz GEQZEWSUAKZKOL-UHFFFAOYSA-N 2 2 409.393 4.066 20 0 HIADLP CN(c1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000514097699 922424118 /nfs/dbraw/zinc/42/41/18/922424118.db2.gz AFIKPUZKECCIFG-DEOSSOPVSA-N 2 2 415.528 4.069 20 0 HIADLP CN(c1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)C1CC[NH+](C)CC1 ZINC000514097699 922424121 /nfs/dbraw/zinc/42/41/21/922424121.db2.gz AFIKPUZKECCIFG-DEOSSOPVSA-N 2 2 415.528 4.069 20 0 HIADLP CCOc1c(OC)cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC000514928278 922846783 /nfs/dbraw/zinc/84/67/83/922846783.db2.gz QKAYFESEYBCTHH-VWLOTQADSA-N 2 2 410.558 4.201 20 0 HIADLP CCOc1c(OC)cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC000514928278 922846789 /nfs/dbraw/zinc/84/67/89/922846789.db2.gz QKAYFESEYBCTHH-VWLOTQADSA-N 2 2 410.558 4.201 20 0 HIADLP CCOc1c(OC)cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000514928278 922846793 /nfs/dbraw/zinc/84/67/93/922846793.db2.gz QKAYFESEYBCTHH-VWLOTQADSA-N 2 2 410.558 4.201 20 0 HIADLP CCOc1c(OC)cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000514928278 922846803 /nfs/dbraw/zinc/84/68/03/922846803.db2.gz QKAYFESEYBCTHH-VWLOTQADSA-N 2 2 410.558 4.201 20 0 HIADLP C[C@@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cccc2ccccc21 ZINC000517613142 926720513 /nfs/dbraw/zinc/72/05/13/926720513.db2.gz ICNRYDZKUZKDTO-HXUWFJFHSA-N 2 2 404.558 4.406 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cccc2ccccc21 ZINC000517613141 926720918 /nfs/dbraw/zinc/72/09/18/926720918.db2.gz ICNRYDZKUZKDTO-FQEVSTJZSA-N 2 2 404.558 4.406 20 0 HIADLP CC[N@H+](Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1)C1CC1 ZINC000517625512 926733935 /nfs/dbraw/zinc/73/39/35/926733935.db2.gz XKLYFKXPGBQLGO-UHFFFAOYSA-N 2 2 418.541 4.220 20 0 HIADLP CC[N@@H+](Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1)C1CC1 ZINC000517625512 926733945 /nfs/dbraw/zinc/73/39/45/926733945.db2.gz XKLYFKXPGBQLGO-UHFFFAOYSA-N 2 2 418.541 4.220 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(OCc2nccn2C)cc1 ZINC000517786692 926835827 /nfs/dbraw/zinc/83/58/27/926835827.db2.gz CQWYMCSAZZNLTI-IBGZPJMESA-N 2 2 401.514 4.095 20 0 HIADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000518285141 927144810 /nfs/dbraw/zinc/14/48/10/927144810.db2.gz JHIIKEIAXAOFAB-UHFFFAOYSA-N 2 2 424.372 4.286 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccccc1 ZINC000519081126 927755741 /nfs/dbraw/zinc/75/57/41/927755741.db2.gz NITKMJSPWRZFHA-HXUWFJFHSA-N 2 2 400.592 4.397 20 0 HIADLP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000519861182 928102046 /nfs/dbraw/zinc/10/20/46/928102046.db2.gz WAXJGTRHPLSUOZ-GOSISDBHSA-N 2 2 417.488 4.482 20 0 HIADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000520189336 928376523 /nfs/dbraw/zinc/37/65/23/928376523.db2.gz KVTIALNJOCNHNT-INIZCTEOSA-N 2 2 412.405 4.321 20 0 HIADLP O=C(C[N@@H+]1CCCCC[C@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000520788631 928819492 /nfs/dbraw/zinc/81/94/92/928819492.db2.gz OAGFHLXVQXTBAH-DEOSSOPVSA-N 2 2 407.558 4.075 20 0 HIADLP O=C(C[N@H+]1CCCCC[C@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000520788631 928819496 /nfs/dbraw/zinc/81/94/96/928819496.db2.gz OAGFHLXVQXTBAH-DEOSSOPVSA-N 2 2 407.558 4.075 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[NH+](C)C)cc1 ZINC000520830068 928835912 /nfs/dbraw/zinc/83/59/12/928835912.db2.gz JTKWRIWZLWCXNL-YLJYHZDGSA-N 2 2 415.607 4.108 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[NH+](C)C)cc1 ZINC000520830068 928835913 /nfs/dbraw/zinc/83/59/13/928835913.db2.gz JTKWRIWZLWCXNL-YLJYHZDGSA-N 2 2 415.607 4.108 20 0 HIADLP CCC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](CC)c1ccccc1 ZINC000521193860 929055255 /nfs/dbraw/zinc/05/52/55/929055255.db2.gz VTQHYWYRDPVRMG-XMMPIXPASA-N 2 2 409.574 4.321 20 0 HIADLP CCC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](CC)c1ccccc1 ZINC000521193860 929055261 /nfs/dbraw/zinc/05/52/61/929055261.db2.gz VTQHYWYRDPVRMG-XMMPIXPASA-N 2 2 409.574 4.321 20 0 HIADLP COc1cc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC(C)C ZINC000522020310 929620612 /nfs/dbraw/zinc/62/06/12/929620612.db2.gz WWKCSECXHXCBEJ-OFNKIYASSA-N 2 2 412.574 4.424 20 0 HIADLP COc1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC(C)C ZINC000522020310 929620622 /nfs/dbraw/zinc/62/06/22/929620622.db2.gz WWKCSECXHXCBEJ-OFNKIYASSA-N 2 2 412.574 4.424 20 0 HIADLP CC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000524752366 929818435 /nfs/dbraw/zinc/81/84/35/929818435.db2.gz WYNLIWSYTUTSAE-UHFFFAOYSA-N 2 2 405.489 4.430 20 0 HIADLP CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000524752366 929818439 /nfs/dbraw/zinc/81/84/39/929818439.db2.gz WYNLIWSYTUTSAE-UHFFFAOYSA-N 2 2 405.489 4.430 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000531697275 931161003 /nfs/dbraw/zinc/16/10/03/931161003.db2.gz XUHAZIHOTRZQCX-QGZVFWFLSA-N 2 2 419.363 4.011 20 0 HIADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000532449887 931439895 /nfs/dbraw/zinc/43/98/95/931439895.db2.gz WHCMVVORCPXOJR-MRXNPFEDSA-N 2 2 416.447 4.457 20 0 HIADLP CCc1ccccc1NC(=O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733294 931616393 /nfs/dbraw/zinc/61/63/93/931616393.db2.gz TXJOCZLYUVHIPJ-UHFFFAOYSA-N 2 2 423.605 4.400 20 0 HIADLP CCc1ccccc1NC(=O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733294 931616395 /nfs/dbraw/zinc/61/63/95/931616395.db2.gz TXJOCZLYUVHIPJ-UHFFFAOYSA-N 2 2 423.605 4.400 20 0 HIADLP CC[N@H+](CCCOCC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532735207 931617087 /nfs/dbraw/zinc/61/70/87/931617087.db2.gz SFLXLCIJGGPLHV-UHFFFAOYSA-N 2 2 402.505 4.168 20 0 HIADLP CC[N@@H+](CCCOCC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532735207 931617091 /nfs/dbraw/zinc/61/70/91/931617091.db2.gz SFLXLCIJGGPLHV-UHFFFAOYSA-N 2 2 402.505 4.168 20 0 HIADLP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532956646 931711023 /nfs/dbraw/zinc/71/10/23/931711023.db2.gz CMRULIUQOWJIMH-BBWFWOEESA-N 2 2 406.521 4.314 20 0 HIADLP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000532956646 931711032 /nfs/dbraw/zinc/71/10/32/931711032.db2.gz CMRULIUQOWJIMH-BBWFWOEESA-N 2 2 406.521 4.314 20 0 HIADLP CC[N@H+](Cc1csc(COC)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073689 931763467 /nfs/dbraw/zinc/76/34/67/931763467.db2.gz OYYBFJSJSMXBPF-UHFFFAOYSA-N 2 2 403.596 4.002 20 0 HIADLP CC[N@@H+](Cc1csc(COC)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073689 931763469 /nfs/dbraw/zinc/76/34/69/931763469.db2.gz OYYBFJSJSMXBPF-UHFFFAOYSA-N 2 2 403.596 4.002 20 0 HIADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000533426316 931864731 /nfs/dbraw/zinc/86/47/31/931864731.db2.gz ABFLUKIGEOKUDU-AHWVRZQESA-N 2 2 417.597 4.111 20 0 HIADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000533426316 931864735 /nfs/dbraw/zinc/86/47/35/931864735.db2.gz ABFLUKIGEOKUDU-AHWVRZQESA-N 2 2 417.597 4.111 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000533485120 931881599 /nfs/dbraw/zinc/88/15/99/931881599.db2.gz USNPPYFBRGRJGF-GOSISDBHSA-N 2 2 404.514 4.195 20 0 HIADLP CC[N@H+](CCOc1ccccc1C(C)=O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533529 931895855 /nfs/dbraw/zinc/89/58/55/931895855.db2.gz PFCHQDYUKPOMIG-UHFFFAOYSA-N 2 2 424.589 4.481 20 0 HIADLP CC[N@@H+](CCOc1ccccc1C(C)=O)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533529 931895857 /nfs/dbraw/zinc/89/58/57/931895857.db2.gz PFCHQDYUKPOMIG-UHFFFAOYSA-N 2 2 424.589 4.481 20 0 HIADLP CN(C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648608 931944144 /nfs/dbraw/zinc/94/41/44/931944144.db2.gz LQRXERGWMWJCIC-PMACEKPBSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648608 931944150 /nfs/dbraw/zinc/94/41/50/931944150.db2.gz LQRXERGWMWJCIC-PMACEKPBSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1[nH]c2ccccc2c1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648426 931944543 /nfs/dbraw/zinc/94/45/43/931944543.db2.gz NVVRJIOTVKZZDD-PMACEKPBSA-N 2 2 416.997 4.231 20 0 HIADLP CN(C(=O)c1[nH]c2ccccc2c1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648426 931944546 /nfs/dbraw/zinc/94/45/46/931944546.db2.gz NVVRJIOTVKZZDD-PMACEKPBSA-N 2 2 416.997 4.231 20 0 HIADLP CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648619 931944710 /nfs/dbraw/zinc/94/47/10/931944710.db2.gz IIOYYMZUZCNSIC-JWQCQUIFSA-N 2 2 407.602 4.178 20 0 HIADLP CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648619 931944716 /nfs/dbraw/zinc/94/47/16/931944716.db2.gz IIOYYMZUZCNSIC-JWQCQUIFSA-N 2 2 407.602 4.178 20 0 HIADLP CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649624 931945752 /nfs/dbraw/zinc/94/57/52/931945752.db2.gz PORRKANHCLJLNU-PMACEKPBSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649624 931945754 /nfs/dbraw/zinc/94/57/54/931945754.db2.gz PORRKANHCLJLNU-PMACEKPBSA-N 2 2 412.405 4.403 20 0 HIADLP CSc1ccc(Cl)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533649284 931945930 /nfs/dbraw/zinc/94/59/30/931945930.db2.gz PQKVZHCXROIEJP-LEWJYISDSA-N 2 2 424.054 4.471 20 0 HIADLP CSc1ccc(Cl)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533649284 931945939 /nfs/dbraw/zinc/94/59/39/931945939.db2.gz PQKVZHCXROIEJP-LEWJYISDSA-N 2 2 424.054 4.471 20 0 HIADLP CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650305 931946901 /nfs/dbraw/zinc/94/69/01/931946901.db2.gz WBDAIIZBEJKVTK-WOJBJXKFSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650305 931946906 /nfs/dbraw/zinc/94/69/06/931946906.db2.gz WBDAIIZBEJKVTK-WOJBJXKFSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534194209 932324910 /nfs/dbraw/zinc/32/49/10/932324910.db2.gz UYVNAVSGWJUHGD-UXHICEINSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534194209 932324916 /nfs/dbraw/zinc/32/49/16/932324916.db2.gz UYVNAVSGWJUHGD-UXHICEINSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534194208 932325323 /nfs/dbraw/zinc/32/53/23/932325323.db2.gz UYVNAVSGWJUHGD-PMACEKPBSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534194208 932325328 /nfs/dbraw/zinc/32/53/28/932325328.db2.gz UYVNAVSGWJUHGD-PMACEKPBSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cccc(OC(F)F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534196680 932326135 /nfs/dbraw/zinc/32/61/35/932326135.db2.gz YGVBGPYTSBEOIG-UXHICEINSA-N 2 2 424.536 4.089 20 0 HIADLP CN(C(=O)Nc1cccc(OC(F)F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534196680 932326144 /nfs/dbraw/zinc/32/61/44/932326144.db2.gz YGVBGPYTSBEOIG-UXHICEINSA-N 2 2 424.536 4.089 20 0 HIADLP CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534228350 932347352 /nfs/dbraw/zinc/34/73/52/932347352.db2.gz LIEGAGOPVIJFLO-FQEVSTJZSA-N 2 2 412.578 4.291 20 0 HIADLP CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534228350 932347357 /nfs/dbraw/zinc/34/73/57/932347357.db2.gz LIEGAGOPVIJFLO-FQEVSTJZSA-N 2 2 412.578 4.291 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000534360691 932394304 /nfs/dbraw/zinc/39/43/04/932394304.db2.gz PDVYRFRCSONNPB-RYQLBKOJSA-N 2 2 412.043 4.301 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000534360691 932394310 /nfs/dbraw/zinc/39/43/10/932394310.db2.gz PDVYRFRCSONNPB-RYQLBKOJSA-N 2 2 412.043 4.301 20 0 HIADLP Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc21 ZINC000534360889 932395518 /nfs/dbraw/zinc/39/55/18/932395518.db2.gz RSEYIKZQIRBMFW-DHIUTWEWSA-N 2 2 414.569 4.025 20 0 HIADLP Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc21 ZINC000534360889 932395526 /nfs/dbraw/zinc/39/55/26/932395526.db2.gz RSEYIKZQIRBMFW-DHIUTWEWSA-N 2 2 414.569 4.025 20 0 HIADLP CN(C(=O)N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375883 932404687 /nfs/dbraw/zinc/40/46/87/932404687.db2.gz OGEPNNNRJKBSTF-SMIHKQSGSA-N 2 2 412.622 4.116 20 0 HIADLP CN(C(=O)N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375883 932404693 /nfs/dbraw/zinc/40/46/93/932404693.db2.gz OGEPNNNRJKBSTF-SMIHKQSGSA-N 2 2 412.622 4.116 20 0 HIADLP CN(C(=O)NCc1cccc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534385703 932412147 /nfs/dbraw/zinc/41/21/47/932412147.db2.gz STDKCYOMYOVVRL-JWQCQUIFSA-N 2 2 422.617 4.318 20 0 HIADLP CN(C(=O)NCc1cccc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534385703 932412151 /nfs/dbraw/zinc/41/21/51/932412151.db2.gz STDKCYOMYOVVRL-JWQCQUIFSA-N 2 2 422.617 4.318 20 0 HIADLP CC(=O)N(c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1)c1cccc(C)c1C ZINC000534490466 932528462 /nfs/dbraw/zinc/52/84/62/932528462.db2.gz ZSTODRAIMZTHPP-UHFFFAOYSA-N 2 2 400.592 4.218 20 0 HIADLP CN(C(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094472 932907771 /nfs/dbraw/zinc/90/77/71/932907771.db2.gz HBGGQNCYOJEWNB-WOJBJXKFSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094472 932907786 /nfs/dbraw/zinc/90/77/86/932907786.db2.gz HBGGQNCYOJEWNB-WOJBJXKFSA-N 2 2 412.405 4.403 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000535095915 932911187 /nfs/dbraw/zinc/91/11/87/932911187.db2.gz LMLFEPAVLMTUAK-LEOXJPRUSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000535095915 932911199 /nfs/dbraw/zinc/91/11/99/932911199.db2.gz LMLFEPAVLMTUAK-LEOXJPRUSA-N 2 2 403.586 4.115 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095677 932911719 /nfs/dbraw/zinc/91/17/19/932911719.db2.gz ROODRMJQFOWBAM-RBUKOAKNSA-N 2 2 412.043 4.130 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095677 932911731 /nfs/dbraw/zinc/91/17/31/932911731.db2.gz ROODRMJQFOWBAM-RBUKOAKNSA-N 2 2 412.043 4.130 20 0 HIADLP CCCc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000535097633 932912987 /nfs/dbraw/zinc/91/29/87/932912987.db2.gz XGFNWPZHVKPKDJ-LEWJYISDSA-N 2 2 405.652 4.418 20 0 HIADLP CCCc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000535097633 932912993 /nfs/dbraw/zinc/91/29/93/932912993.db2.gz XGFNWPZHVKPKDJ-LEWJYISDSA-N 2 2 405.652 4.418 20 0 HIADLP Cc1cccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535112666 932929115 /nfs/dbraw/zinc/92/91/15/932929115.db2.gz RUKQJNUVFCFCJZ-OYDLWJJNSA-N 2 2 414.638 4.343 20 0 HIADLP Cc1cccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535112666 932929124 /nfs/dbraw/zinc/92/91/24/932929124.db2.gz RUKQJNUVFCFCJZ-OYDLWJJNSA-N 2 2 414.638 4.343 20 0 HIADLP CC[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000535119295 932937592 /nfs/dbraw/zinc/93/75/92/932937592.db2.gz AHBJHHHBYAXNBE-AGILITTLSA-N 2 2 414.638 4.159 20 0 HIADLP CC[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000535119295 932937607 /nfs/dbraw/zinc/93/76/07/932937607.db2.gz AHBJHHHBYAXNBE-AGILITTLSA-N 2 2 414.638 4.159 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000535122659 932940366 /nfs/dbraw/zinc/94/03/66/932940366.db2.gz WCGNVZHJZYILMQ-HVETUWLQSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000535122659 932940375 /nfs/dbraw/zinc/94/03/75/932940375.db2.gz WCGNVZHJZYILMQ-HVETUWLQSA-N 2 2 422.564 4.004 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)CC(C)C ZINC000535325361 933073702 /nfs/dbraw/zinc/07/37/02/933073702.db2.gz JPBSYEMZIDGPJB-FQEVSTJZSA-N 2 2 409.578 4.480 20 0 HIADLP C[N@H+](CCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCCCC1 ZINC000535328232 933075535 /nfs/dbraw/zinc/07/55/35/933075535.db2.gz URJPFAMPECDTKJ-UHFFFAOYSA-N 2 2 407.562 4.378 20 0 HIADLP C[N@@H+](CCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CCCCC1 ZINC000535328232 933075536 /nfs/dbraw/zinc/07/55/36/933075536.db2.gz URJPFAMPECDTKJ-UHFFFAOYSA-N 2 2 407.562 4.378 20 0 HIADLP Cc1c2cccc(C)c2oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850966 933433639 /nfs/dbraw/zinc/43/36/39/933433639.db2.gz YETZNCMUJKDUCY-VXKWHMMOSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1c2cccc(C)c2oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850966 933433642 /nfs/dbraw/zinc/43/36/42/933433642.db2.gz YETZNCMUJKDUCY-VXKWHMMOSA-N 2 2 411.590 4.459 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC000535851529 933434176 /nfs/dbraw/zinc/43/41/76/933434176.db2.gz FEBDJGDGSUCPCM-IGKWTDBASA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC000535851529 933434182 /nfs/dbraw/zinc/43/41/82/933434182.db2.gz FEBDJGDGSUCPCM-IGKWTDBASA-N 2 2 417.613 4.190 20 0 HIADLP Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851975 933435931 /nfs/dbraw/zinc/43/59/31/933435931.db2.gz ZDNPTBHIYCERDG-NHCUHLMSSA-N 2 2 415.553 4.290 20 0 HIADLP Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851975 933435934 /nfs/dbraw/zinc/43/59/34/933435934.db2.gz ZDNPTBHIYCERDG-NHCUHLMSSA-N 2 2 415.553 4.290 20 0 HIADLP Cc1ccc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535866299 933448587 /nfs/dbraw/zinc/44/85/87/933448587.db2.gz JRJQZJTYJJSDHF-FGCOXFRFSA-N 2 2 414.638 4.077 20 0 HIADLP Cc1ccc([C@H](C)CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535866299 933448616 /nfs/dbraw/zinc/44/86/16/933448616.db2.gz JRJQZJTYJJSDHF-FGCOXFRFSA-N 2 2 414.638 4.077 20 0 HIADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000535878171 933459687 /nfs/dbraw/zinc/45/96/87/933459687.db2.gz SYSICKDYRBCLBR-HJOGWXRNSA-N 2 2 414.638 4.425 20 0 HIADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000535878171 933459692 /nfs/dbraw/zinc/45/96/92/933459692.db2.gz SYSICKDYRBCLBR-HJOGWXRNSA-N 2 2 414.638 4.425 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)CCC2 ZINC000537417240 933766976 /nfs/dbraw/zinc/76/69/76/933766976.db2.gz SRLDDIFMCWRFST-ZDUSSCGKSA-N 2 2 400.267 4.223 20 0 HIADLP COC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000537456792 933781731 /nfs/dbraw/zinc/78/17/31/933781731.db2.gz YDRAJKWGPUPKGG-OALUTQOASA-N 2 2 408.468 4.040 20 0 HIADLP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000537628944 938340006 /nfs/dbraw/zinc/34/00/06/938340006.db2.gz MVDJYDGYEFIHOO-XMSQKQJNSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000537628944 938340010 /nfs/dbraw/zinc/34/00/10/938340010.db2.gz MVDJYDGYEFIHOO-XMSQKQJNSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000537628944 938340014 /nfs/dbraw/zinc/34/00/14/938340014.db2.gz MVDJYDGYEFIHOO-XMSQKQJNSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000537628944 938340019 /nfs/dbraw/zinc/34/00/19/938340019.db2.gz MVDJYDGYEFIHOO-XMSQKQJNSA-N 2 2 418.541 4.290 20 0 HIADLP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000537630930 938340612 /nfs/dbraw/zinc/34/06/12/938340612.db2.gz IMIMAHSKMUKTAK-UHFFFAOYSA-N 2 2 402.966 4.198 20 0 HIADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000537630930 938340614 /nfs/dbraw/zinc/34/06/14/938340614.db2.gz IMIMAHSKMUKTAK-UHFFFAOYSA-N 2 2 402.966 4.198 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000537698261 938358076 /nfs/dbraw/zinc/35/80/76/938358076.db2.gz VDLINKUJAVBIHN-JTSKRJEESA-N 2 2 400.517 4.216 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000537698261 938358078 /nfs/dbraw/zinc/35/80/78/938358078.db2.gz VDLINKUJAVBIHN-JTSKRJEESA-N 2 2 400.517 4.216 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000537698261 938358080 /nfs/dbraw/zinc/35/80/80/938358080.db2.gz VDLINKUJAVBIHN-JTSKRJEESA-N 2 2 400.517 4.216 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000537698261 938358081 /nfs/dbraw/zinc/35/80/81/938358081.db2.gz VDLINKUJAVBIHN-JTSKRJEESA-N 2 2 400.517 4.216 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538003515 938458786 /nfs/dbraw/zinc/45/87/86/938458786.db2.gz ZQEZEQLQKROWJZ-NHCUHLMSSA-N 2 2 418.944 4.498 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538003515 938458795 /nfs/dbraw/zinc/45/87/95/938458795.db2.gz ZQEZEQLQKROWJZ-NHCUHLMSSA-N 2 2 418.944 4.498 20 0 HIADLP Cc1nc([C@H](C)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)oc1-c1ccc(Cl)cc1 ZINC000538120387 938508191 /nfs/dbraw/zinc/50/81/91/938508191.db2.gz ALTNOYRYYDJDRS-KRWDZBQOSA-N 2 2 404.986 4.322 20 0 HIADLP Cc1nc([C@H](C)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)oc1-c1ccc(Cl)cc1 ZINC000538120387 938508196 /nfs/dbraw/zinc/50/81/96/938508196.db2.gz ALTNOYRYYDJDRS-KRWDZBQOSA-N 2 2 404.986 4.322 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)CC1 ZINC000538210550 938557530 /nfs/dbraw/zinc/55/75/30/938557530.db2.gz KFXQDLPSGLZTAN-QGZVFWFLSA-N 2 2 407.537 4.070 20 0 HIADLP CSCc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538353601 938601688 /nfs/dbraw/zinc/60/16/88/938601688.db2.gz DJZBHJDRBJJVLM-VXKWHMMOSA-N 2 2 418.651 4.351 20 0 HIADLP CSCc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538353601 938601691 /nfs/dbraw/zinc/60/16/91/938601691.db2.gz DJZBHJDRBJJVLM-VXKWHMMOSA-N 2 2 418.651 4.351 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3C[C@@H]4CCC(C)(C)c5cccc3c54)CC2)CC1 ZINC000538456882 938626731 /nfs/dbraw/zinc/62/67/31/938626731.db2.gz JUBNTXZVVAYVSX-MBSDFSHPSA-N 2 2 424.633 4.144 20 0 HIADLP Cc1c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cnn1-c1ccc(F)cc1 ZINC000538588019 938656099 /nfs/dbraw/zinc/65/60/99/938656099.db2.gz WTLNXCDCFRPPHI-QGZVFWFLSA-N 2 2 422.552 4.418 20 0 HIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cnn(Cc2ccccc2)c1 ZINC000538588101 938656401 /nfs/dbraw/zinc/65/64/01/938656401.db2.gz MDIVRJZQEVTIQG-IBGZPJMESA-N 2 2 404.562 4.030 20 0 HIADLP CC(C)[NH+]1CCC(N2CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)CC1 ZINC000538724690 938692524 /nfs/dbraw/zinc/69/25/24/938692524.db2.gz WRBOBNZLHQVQQI-UHFFFAOYSA-N 2 2 424.416 4.260 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538795612 938714006 /nfs/dbraw/zinc/71/40/06/938714006.db2.gz LSQYBTBXCJUQKA-CYFREDJKSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538795612 938714008 /nfs/dbraw/zinc/71/40/08/938714008.db2.gz LSQYBTBXCJUQKA-CYFREDJKSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000538795612 938714011 /nfs/dbraw/zinc/71/40/11/938714011.db2.gz LSQYBTBXCJUQKA-CYFREDJKSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000538795612 938714013 /nfs/dbraw/zinc/71/40/13/938714013.db2.gz LSQYBTBXCJUQKA-CYFREDJKSA-N 2 2 407.558 4.118 20 0 HIADLP c1csc([C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CCCC2)c1 ZINC000538985556 938760084 /nfs/dbraw/zinc/76/00/84/938760084.db2.gz XBSOWFIUECNMMP-QHCPKHFHSA-N 2 2 400.588 4.480 20 0 HIADLP COc1c(C)ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000539443395 938861511 /nfs/dbraw/zinc/86/15/11/938861511.db2.gz SVSYBLRCQDWMQW-YADHBBJMSA-N 2 2 416.610 4.113 20 0 HIADLP COc1c(C)ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000539443395 938861514 /nfs/dbraw/zinc/86/15/14/938861514.db2.gz SVSYBLRCQDWMQW-YADHBBJMSA-N 2 2 416.610 4.113 20 0 HIADLP Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000539454655 938862962 /nfs/dbraw/zinc/86/29/62/938862962.db2.gz NHOSCASFLOUCAJ-WOJBJXKFSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000539454655 938862963 /nfs/dbraw/zinc/86/29/63/938862963.db2.gz NHOSCASFLOUCAJ-WOJBJXKFSA-N 2 2 407.002 4.449 20 0 HIADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(Br)c1 ZINC000539660006 938895774 /nfs/dbraw/zinc/89/57/74/938895774.db2.gz RPLQIDXVWDGEBF-GDBMZVCRSA-N 2 2 419.367 4.166 20 0 HIADLP CCc1ccccc1NC(=O)C[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000539688489 938902004 /nfs/dbraw/zinc/90/20/04/938902004.db2.gz JZQHEICLFFMOOJ-SFHVURJKSA-N 2 2 409.578 4.004 20 0 HIADLP Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000539968169 938982387 /nfs/dbraw/zinc/98/23/87/938982387.db2.gz NJMWFCGCBGVSGP-QFIPXVFZSA-N 2 2 415.375 4.449 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)c(C)c1 ZINC000540146199 939090712 /nfs/dbraw/zinc/09/07/12/939090712.db2.gz AZSHOASQYCHMLH-BWKNWUBXSA-N 2 2 404.558 4.429 20 0 HIADLP CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000540315982 939191404 /nfs/dbraw/zinc/19/14/04/939191404.db2.gz ONQIMBLVOFDARC-FOIQADDNSA-N 2 2 404.352 4.179 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000540410510 939239223 /nfs/dbraw/zinc/23/92/23/939239223.db2.gz ONBVAIUFTGSSMW-SJORKVTESA-N 2 2 423.536 4.028 20 0 HIADLP CCOCc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540554067 939303133 /nfs/dbraw/zinc/30/31/33/939303133.db2.gz JYNNHWVCNBYSTA-PKTZIBPZSA-N 2 2 416.610 4.024 20 0 HIADLP CCOCc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540554067 939303140 /nfs/dbraw/zinc/30/31/40/939303140.db2.gz JYNNHWVCNBYSTA-PKTZIBPZSA-N 2 2 416.610 4.024 20 0 HIADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000540600087 939315805 /nfs/dbraw/zinc/31/58/05/939315805.db2.gz FTKNLSGVCYAHEJ-UHFFFAOYSA-N 2 2 417.397 4.164 20 0 HIADLP C[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2)c2ccccc2Br)CC1 ZINC000540908568 939415190 /nfs/dbraw/zinc/41/51/90/939415190.db2.gz OAOJJLDQUMDQQU-QFIPXVFZSA-N 2 2 416.407 4.156 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccco1 ZINC000541396979 939504802 /nfs/dbraw/zinc/50/48/02/939504802.db2.gz ZQUHAJZHLSQORA-FPOVZHCZSA-N 2 2 412.578 4.286 20 0 HIADLP C[C@H]([NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000563698738 945256431 /nfs/dbraw/zinc/25/64/31/945256431.db2.gz SNGGTBQCZFJAFT-SBUREZEXSA-N 2 2 407.558 4.141 20 0 HIADLP C[C@H]([NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000563698738 945256443 /nfs/dbraw/zinc/25/64/43/945256443.db2.gz SNGGTBQCZFJAFT-SBUREZEXSA-N 2 2 407.558 4.141 20 0 HIADLP C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603386 939566042 /nfs/dbraw/zinc/56/60/42/939566042.db2.gz SVVNLCBNZVIJAF-HOTGVXAUSA-N 2 2 423.395 4.353 20 0 HIADLP C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603386 939566045 /nfs/dbraw/zinc/56/60/45/939566045.db2.gz SVVNLCBNZVIJAF-HOTGVXAUSA-N 2 2 423.395 4.353 20 0 HIADLP Cn1ccc([C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2ccc(Cl)cc2)n1 ZINC000541743983 939618880 /nfs/dbraw/zinc/61/88/80/939618880.db2.gz WOEUWNGGFVQESX-HSZRJFAPSA-N 2 2 412.965 4.283 20 0 HIADLP COC(=O)c1coc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000541769316 939625733 /nfs/dbraw/zinc/62/57/33/939625733.db2.gz FMVQGPWTMBXPHC-UHFFFAOYSA-N 2 2 401.466 4.268 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccsc1 ZINC000542108952 939716664 /nfs/dbraw/zinc/71/66/64/939716664.db2.gz FZTKBSNZAPUYHX-NRFANRHFSA-N 2 2 417.623 4.230 20 0 HIADLP C[C@H]1CCc2c(sc3nc(C[NH+]4CCC(CCCn5cc[nH+]c5)CC4)nc(N)c32)C1 ZINC000542133466 939724495 /nfs/dbraw/zinc/72/44/95/939724495.db2.gz STXCJRNXGZFJMN-INIZCTEOSA-N 2 2 424.618 4.287 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542485958 939831568 /nfs/dbraw/zinc/83/15/68/939831568.db2.gz VMWJKIOHXXWWNT-HXUWFJFHSA-N 2 2 402.420 4.168 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000542485958 939831570 /nfs/dbraw/zinc/83/15/70/939831570.db2.gz VMWJKIOHXXWWNT-HXUWFJFHSA-N 2 2 402.420 4.168 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530393 939838271 /nfs/dbraw/zinc/83/82/71/939838271.db2.gz FECYKIVDEBDYGD-RDJZCZTQSA-N 2 2 416.566 4.130 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530393 939838272 /nfs/dbraw/zinc/83/82/72/939838272.db2.gz FECYKIVDEBDYGD-RDJZCZTQSA-N 2 2 416.566 4.130 20 0 HIADLP CCCCSc1ccc(Cl)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000542659968 939852163 /nfs/dbraw/zinc/85/21/63/939852163.db2.gz GVIVIGYXPQLPHM-UHFFFAOYSA-N 2 2 412.043 4.330 20 0 HIADLP CCCCSc1ccc(Cl)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542659968 939852164 /nfs/dbraw/zinc/85/21/64/939852164.db2.gz GVIVIGYXPQLPHM-UHFFFAOYSA-N 2 2 412.043 4.330 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000542941326 939882705 /nfs/dbraw/zinc/88/27/05/939882705.db2.gz BIAKTFHWFPHZCC-GOSISDBHSA-N 2 2 400.482 4.246 20 0 HIADLP C[C@H](OC[C@@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000543060081 939913644 /nfs/dbraw/zinc/91/36/44/939913644.db2.gz UTADVHHPBQHYJG-AVRDEDQJSA-N 2 2 405.970 4.167 20 0 HIADLP C[C@H](Cc1ccccc1Cl)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543108259 939947945 /nfs/dbraw/zinc/94/79/45/939947945.db2.gz QPSDWUIBXDDDBH-YSZBQJHXSA-N 2 2 420.041 4.314 20 0 HIADLP C[C@H](Cc1ccccc1Cl)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543108259 939947954 /nfs/dbraw/zinc/94/79/54/939947954.db2.gz QPSDWUIBXDDDBH-YSZBQJHXSA-N 2 2 420.041 4.314 20 0 HIADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543234836 940003228 /nfs/dbraw/zinc/00/32/28/940003228.db2.gz PVRBFWHSAURJOE-UHFFFAOYSA-N 2 2 419.348 4.123 20 0 HIADLP FC(F)(F)c1ccc(CN2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000543254251 940009214 /nfs/dbraw/zinc/00/92/14/940009214.db2.gz VNTKAJUKGWHWOT-QGZVFWFLSA-N 2 2 406.477 4.317 20 0 HIADLP CN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543332393 940033559 /nfs/dbraw/zinc/03/35/59/940033559.db2.gz HJGGJBDOZNISLX-DHIUTWEWSA-N 2 2 420.601 4.226 20 0 HIADLP CN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543332393 940033565 /nfs/dbraw/zinc/03/35/65/940033565.db2.gz HJGGJBDOZNISLX-DHIUTWEWSA-N 2 2 420.601 4.226 20 0 HIADLP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393371 940050089 /nfs/dbraw/zinc/05/00/89/940050089.db2.gz BXQUABDTTSRGDJ-UQBPGWFLSA-N 2 2 418.589 4.012 20 0 HIADLP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393371 940050095 /nfs/dbraw/zinc/05/00/95/940050095.db2.gz BXQUABDTTSRGDJ-UQBPGWFLSA-N 2 2 418.589 4.012 20 0 HIADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393371 940050101 /nfs/dbraw/zinc/05/01/01/940050101.db2.gz BXQUABDTTSRGDJ-UQBPGWFLSA-N 2 2 418.589 4.012 20 0 HIADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393371 940050106 /nfs/dbraw/zinc/05/01/06/940050106.db2.gz BXQUABDTTSRGDJ-UQBPGWFLSA-N 2 2 418.589 4.012 20 0 HIADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000543429951 940061870 /nfs/dbraw/zinc/06/18/70/940061870.db2.gz RFXKQGLPZPIMQL-UKILVPOCSA-N 2 2 405.517 4.057 20 0 HIADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000543429951 940061872 /nfs/dbraw/zinc/06/18/72/940061872.db2.gz RFXKQGLPZPIMQL-UKILVPOCSA-N 2 2 405.517 4.057 20 0 HIADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)C1 ZINC000543588282 940122419 /nfs/dbraw/zinc/12/24/19/940122419.db2.gz SOCHQRHFRLDJIR-LJQANCHMSA-N 2 2 409.578 4.028 20 0 HIADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)C1 ZINC000543588282 940122423 /nfs/dbraw/zinc/12/24/23/940122423.db2.gz SOCHQRHFRLDJIR-LJQANCHMSA-N 2 2 409.578 4.028 20 0 HIADLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000543869404 940217573 /nfs/dbraw/zinc/21/75/73/940217573.db2.gz NWYCAXDKASTGOD-SFHVURJKSA-N 2 2 411.571 4.294 20 0 HIADLP CCN1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000544174977 940344126 /nfs/dbraw/zinc/34/41/26/940344126.db2.gz PYBOJFBOQYMEKD-AZUAARDMSA-N 2 2 406.477 4.276 20 0 HIADLP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544224206 940359669 /nfs/dbraw/zinc/35/96/69/940359669.db2.gz ASMCKAPEVDXGQI-GOTSBHOMSA-N 2 2 420.601 4.274 20 0 HIADLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544224206 940359673 /nfs/dbraw/zinc/35/96/73/940359673.db2.gz ASMCKAPEVDXGQI-GOTSBHOMSA-N 2 2 420.601 4.274 20 0 HIADLP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3S(C)(=O)=O)cc2)CC1 ZINC000544632701 940494983 /nfs/dbraw/zinc/49/49/83/940494983.db2.gz XNNCYSBQNUATKB-UHFFFAOYSA-N 2 2 421.006 4.265 20 0 HIADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)nc12 ZINC000544897505 940522816 /nfs/dbraw/zinc/52/28/16/940522816.db2.gz MOTCOKCWNKDALW-MRXNPFEDSA-N 2 2 424.346 4.484 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000545205451 940555810 /nfs/dbraw/zinc/55/58/10/940555810.db2.gz LLQLNJPRAXLTFW-INIZCTEOSA-N 2 2 401.576 4.187 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)CC1 ZINC000546622915 940861932 /nfs/dbraw/zinc/86/19/32/940861932.db2.gz AOGCWUBPKNQEPQ-HXUWFJFHSA-N 2 2 400.485 4.410 20 0 HIADLP Cc1cccc(C)c1[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000546911798 940910854 /nfs/dbraw/zinc/91/08/54/940910854.db2.gz QBMKTAHNPJSHFT-MDNUFGMLSA-N 2 2 414.638 4.343 20 0 HIADLP Cc1cccc(C)c1[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000546911798 940910860 /nfs/dbraw/zinc/91/08/60/940910860.db2.gz QBMKTAHNPJSHFT-MDNUFGMLSA-N 2 2 414.638 4.343 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000547329843 941056324 /nfs/dbraw/zinc/05/63/24/941056324.db2.gz UQWRMMHUAAVRTG-UHFFFAOYSA-N 2 2 412.496 4.134 20 0 HIADLP CSCC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000548490914 941109293 /nfs/dbraw/zinc/10/92/93/941109293.db2.gz SQTLSCANECXNEL-NRSPTQNISA-N 2 2 409.603 4.024 20 0 HIADLP CSCC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000548490914 941109296 /nfs/dbraw/zinc/10/92/96/941109296.db2.gz SQTLSCANECXNEL-NRSPTQNISA-N 2 2 409.603 4.024 20 0 HIADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccccc3Br)cc2)CC1 ZINC000549381843 941184543 /nfs/dbraw/zinc/18/45/43/941184543.db2.gz AHLLPMOMUCWGQG-UHFFFAOYSA-N 2 2 403.364 4.005 20 0 HIADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccccc3Br)cc2)CC1 ZINC000549381843 941184546 /nfs/dbraw/zinc/18/45/46/941184546.db2.gz AHLLPMOMUCWGQG-UHFFFAOYSA-N 2 2 403.364 4.005 20 0 HIADLP CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000549944542 941244407 /nfs/dbraw/zinc/24/44/07/941244407.db2.gz GTYDIHJFDMSNOT-BDKRGJGYSA-N 2 2 424.699 4.029 20 0 HIADLP CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000549944542 941244414 /nfs/dbraw/zinc/24/44/14/941244414.db2.gz GTYDIHJFDMSNOT-BDKRGJGYSA-N 2 2 424.699 4.029 20 0 HIADLP CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000550887641 941379683 /nfs/dbraw/zinc/37/96/83/941379683.db2.gz XUKILHHSSZQTOP-PKTZIBPZSA-N 2 2 423.582 4.044 20 0 HIADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000552536441 941700823 /nfs/dbraw/zinc/70/08/23/941700823.db2.gz FLZLAVLZVWJZSL-NLFFAJNJSA-N 2 2 403.574 4.009 20 0 HIADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000552536441 941700833 /nfs/dbraw/zinc/70/08/33/941700833.db2.gz FLZLAVLZVWJZSL-NLFFAJNJSA-N 2 2 403.574 4.009 20 0 HIADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553074383 941828894 /nfs/dbraw/zinc/82/88/94/941828894.db2.gz FOUDKDUYEPELHI-NRFANRHFSA-N 2 2 420.582 4.428 20 0 HIADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000554089621 942034594 /nfs/dbraw/zinc/03/45/94/942034594.db2.gz GMEPKGUMYGZZHK-KJJMTIBFSA-N 2 2 404.476 4.354 20 0 HIADLP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000554089621 942034599 /nfs/dbraw/zinc/03/45/99/942034599.db2.gz GMEPKGUMYGZZHK-KJJMTIBFSA-N 2 2 404.476 4.354 20 0 HIADLP C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554385604 942121746 /nfs/dbraw/zinc/12/17/46/942121746.db2.gz FNQJGNQRNCBJIP-HLIPFELVSA-N 2 2 415.607 4.188 20 0 HIADLP C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554385604 942121749 /nfs/dbraw/zinc/12/17/49/942121749.db2.gz FNQJGNQRNCBJIP-HLIPFELVSA-N 2 2 415.607 4.188 20 0 HIADLP CN(C(=O)[C@H]1C[C@H]1c1ccccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555510704 942614783 /nfs/dbraw/zinc/61/47/83/942614783.db2.gz WHAJEPGWKWIORR-RLBLXZPPSA-N 2 2 418.025 4.239 20 0 HIADLP CN(C(=O)[C@H]1C[C@H]1c1ccccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555510704 942614785 /nfs/dbraw/zinc/61/47/85/942614785.db2.gz WHAJEPGWKWIORR-RLBLXZPPSA-N 2 2 418.025 4.239 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000555608443 942668111 /nfs/dbraw/zinc/66/81/11/942668111.db2.gz MCODJSXCQSDAGH-CJFMBICVSA-N 2 2 423.576 4.174 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000556241198 942825227 /nfs/dbraw/zinc/82/52/27/942825227.db2.gz QVGOZMAHYQEPQR-IXFSTUDKSA-N 2 2 406.505 4.414 20 0 HIADLP Clc1ccccc1OC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000556501877 942886283 /nfs/dbraw/zinc/88/62/83/942886283.db2.gz ZHQCFTIPVUBKKL-JOCHJYFZSA-N 2 2 414.977 4.474 20 0 HIADLP Clc1ccccc1OC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000556501877 942886287 /nfs/dbraw/zinc/88/62/87/942886287.db2.gz ZHQCFTIPVUBKKL-JOCHJYFZSA-N 2 2 414.977 4.474 20 0 HIADLP COc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000557691693 943260422 /nfs/dbraw/zinc/26/04/22/943260422.db2.gz LAHBGWVKRQZERC-NHCUHLMSSA-N 2 2 423.001 4.150 20 0 HIADLP COc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000557691693 943260427 /nfs/dbraw/zinc/26/04/27/943260427.db2.gz LAHBGWVKRQZERC-NHCUHLMSSA-N 2 2 423.001 4.150 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000558107042 943380868 /nfs/dbraw/zinc/38/08/68/943380868.db2.gz ICUGHGSXOMQXEA-LJQANCHMSA-N 2 2 403.958 4.035 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000558107042 943380879 /nfs/dbraw/zinc/38/08/79/943380879.db2.gz ICUGHGSXOMQXEA-LJQANCHMSA-N 2 2 403.958 4.035 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ncc(CSC)s2)CC1 ZINC000559260345 943886802 /nfs/dbraw/zinc/88/68/02/943886802.db2.gz YRHPCAQFCZWKQP-HNNXBMFYSA-N 2 2 408.612 4.138 20 0 HIADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000564371742 945537684 /nfs/dbraw/zinc/53/76/84/945537684.db2.gz QBPJITMZMBUTIV-UHFFFAOYSA-N 2 2 412.759 4.118 20 0 HIADLP Fc1ccc(C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C2CCOCC2)cc1 ZINC000564746141 945746165 /nfs/dbraw/zinc/74/61/65/945746165.db2.gz PIDISXMLNDSRDD-VWLOTQADSA-N 2 2 412.549 4.098 20 0 HIADLP Fc1ccc(C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C2CCOCC2)cc1 ZINC000564746141 945746169 /nfs/dbraw/zinc/74/61/69/945746169.db2.gz PIDISXMLNDSRDD-VWLOTQADSA-N 2 2 412.549 4.098 20 0 HIADLP Fc1ccc(C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C2CCOCC2)cc1 ZINC000564746141 945746177 /nfs/dbraw/zinc/74/61/77/945746177.db2.gz PIDISXMLNDSRDD-VWLOTQADSA-N 2 2 412.549 4.098 20 0 HIADLP Fc1ccc(C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CCOCC2)cc1 ZINC000564746141 945746180 /nfs/dbraw/zinc/74/61/80/945746180.db2.gz PIDISXMLNDSRDD-VWLOTQADSA-N 2 2 412.549 4.098 20 0 HIADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000565630583 945859081 /nfs/dbraw/zinc/85/90/81/945859081.db2.gz IHJSWIORZLFOEL-FQEVSTJZSA-N 2 2 419.573 4.126 20 0 HIADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000565630583 945859082 /nfs/dbraw/zinc/85/90/82/945859082.db2.gz IHJSWIORZLFOEL-FQEVSTJZSA-N 2 2 419.573 4.126 20 0 HIADLP c1ccc(CCCO[C@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958080 945939779 /nfs/dbraw/zinc/93/97/79/945939779.db2.gz ZBYLCHIBWODILJ-IZZNHLLZSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCCO[C@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958080 945939799 /nfs/dbraw/zinc/93/97/99/945939799.db2.gz ZBYLCHIBWODILJ-IZZNHLLZSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCCO[C@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958080 945939809 /nfs/dbraw/zinc/93/98/09/945939809.db2.gz ZBYLCHIBWODILJ-IZZNHLLZSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCCO[C@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958080 945939830 /nfs/dbraw/zinc/93/98/30/945939830.db2.gz ZBYLCHIBWODILJ-IZZNHLLZSA-N 2 2 408.586 4.001 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000567933143 946427536 /nfs/dbraw/zinc/42/75/36/946427536.db2.gz KDPRBSLAEFKJQB-UHFFFAOYSA-N 2 2 408.384 4.083 20 0 HIADLP Cc1cc([C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2cccc(Cl)c2)c(C)s1 ZINC000571724251 947765442 /nfs/dbraw/zinc/76/54/42/947765442.db2.gz BIIIUVRPBKOTEX-VQTJNVASSA-N 2 2 405.995 4.037 20 0 HIADLP Cc1cc([C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2cccc(Cl)c2)c(C)s1 ZINC000571724251 947765459 /nfs/dbraw/zinc/76/54/59/947765459.db2.gz BIIIUVRPBKOTEX-VQTJNVASSA-N 2 2 405.995 4.037 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000571930222 947814706 /nfs/dbraw/zinc/81/47/06/947814706.db2.gz NNFDBSKWSWPFNT-VQIMIIECSA-N 2 2 413.363 4.240 20 0 HIADLP C[C@@H]1C[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CC[N@H+]1Cc1ccccc1 ZINC000571930222 947814716 /nfs/dbraw/zinc/81/47/16/947814716.db2.gz NNFDBSKWSWPFNT-VQIMIIECSA-N 2 2 413.363 4.240 20 0 HIADLP C[C@@H](C[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccccc1 ZINC000572063878 947837125 /nfs/dbraw/zinc/83/71/25/947837125.db2.gz USFZPAGBLJCOCT-SFHVURJKSA-N 2 2 400.592 4.049 20 0 HIADLP C[C@@H](C[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccccc1 ZINC000572063878 947837129 /nfs/dbraw/zinc/83/71/29/947837129.db2.gz USFZPAGBLJCOCT-SFHVURJKSA-N 2 2 400.592 4.049 20 0 HIADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000572554491 947944300 /nfs/dbraw/zinc/94/43/00/947944300.db2.gz YMKROAHLZCNUAN-INIZCTEOSA-N 2 2 416.447 4.457 20 0 HIADLP Cc1ccc(-n2cc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000573731601 948284461 /nfs/dbraw/zinc/28/44/61/948284461.db2.gz KAGQOFZXCBGCJE-FQEVSTJZSA-N 2 2 401.489 4.357 20 0 HIADLP Cc1cccn2cc(Cc3noc([C@H]4C[N@H+](Cc5ccccc5)CCC4(F)F)n3)[nH+]c12 ZINC000575216181 948634286 /nfs/dbraw/zinc/63/42/86/948634286.db2.gz SSSDFBMXXQSTPC-LJQANCHMSA-N 2 2 423.467 4.241 20 0 HIADLP Cc1cccn2cc(Cc3noc([C@H]4C[N@@H+](Cc5ccccc5)CCC4(F)F)n3)[nH+]c12 ZINC000575216181 948634291 /nfs/dbraw/zinc/63/42/91/948634291.db2.gz SSSDFBMXXQSTPC-LJQANCHMSA-N 2 2 423.467 4.241 20 0 HIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c([nH+]1)CCC3)CC2 ZINC001164664169 719349285 /nfs/dbraw/zinc/34/92/85/719349285.db2.gz SRXMIVVNLYKXAD-UHFFFAOYSA-N 2 2 413.569 4.265 20 0 HIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c([nH+]1)CCC3)CC2 ZINC001164664169 719349288 /nfs/dbraw/zinc/34/92/88/719349288.db2.gz SRXMIVVNLYKXAD-UHFFFAOYSA-N 2 2 413.569 4.265 20 0 HIADLP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1 ZINC001164757540 720981434 /nfs/dbraw/zinc/98/14/34/720981434.db2.gz OTXUWSLMVKOUQD-URXFXBBRSA-N 2 2 423.605 4.278 20 0 HIADLP CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1 ZINC001164757540 720981445 /nfs/dbraw/zinc/98/14/45/720981445.db2.gz OTXUWSLMVKOUQD-URXFXBBRSA-N 2 2 423.605 4.278 20 0 HIADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1 ZINC001164757541 720983036 /nfs/dbraw/zinc/98/30/36/720983036.db2.gz OTXUWSLMVKOUQD-XUZZJYLKSA-N 2 2 423.605 4.278 20 0 HIADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1 ZINC001164757541 720983059 /nfs/dbraw/zinc/98/30/59/720983059.db2.gz OTXUWSLMVKOUQD-XUZZJYLKSA-N 2 2 423.605 4.278 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc[nH+]1 ZINC001165029623 721818536 /nfs/dbraw/zinc/81/85/36/721818536.db2.gz ZVVZPGDDZGENKB-PMVMPFDFSA-N 2 2 422.621 4.235 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc[nH+]1 ZINC001165029623 721818538 /nfs/dbraw/zinc/81/85/38/721818538.db2.gz ZVVZPGDDZGENKB-PMVMPFDFSA-N 2 2 422.621 4.235 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]cn1 ZINC001165029623 721818541 /nfs/dbraw/zinc/81/85/41/721818541.db2.gz ZVVZPGDDZGENKB-PMVMPFDFSA-N 2 2 422.621 4.235 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]cn1 ZINC001165029623 721818543 /nfs/dbraw/zinc/81/85/43/721818543.db2.gz ZVVZPGDDZGENKB-PMVMPFDFSA-N 2 2 422.621 4.235 20 0 HIADLP CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000010138969 845623114 /nfs/dbraw/zinc/62/31/14/845623114.db2.gz RNRMDLDWIHKATQ-HSZRJFAPSA-N 2 2 415.965 4.098 20 0 HIADLP Cc1cc(C(=O)[C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(C)n1Cc1ccco1 ZINC000436286482 861592151 /nfs/dbraw/zinc/59/21/51/861592151.db2.gz QZBRPWUAUTVAAP-IBGZPJMESA-N 2 2 408.546 4.006 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)CC2)CC1 ZINC000050801095 849411594 /nfs/dbraw/zinc/41/15/94/849411594.db2.gz SWMHHWHITXWUMB-SFHVURJKSA-N 2 2 417.663 4.188 20 0 HIADLP COc1cc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)ccc1O ZINC000436931979 862109793 /nfs/dbraw/zinc/10/97/93/862109793.db2.gz NNTQYNYZWATASI-WBVHZDCISA-N 2 2 401.576 4.267 20 0 HIADLP COc1cc(-c2nc(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)ccc1O ZINC000436931979 862109802 /nfs/dbraw/zinc/10/98/02/862109802.db2.gz NNTQYNYZWATASI-WBVHZDCISA-N 2 2 401.576 4.267 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000071961460 852448226 /nfs/dbraw/zinc/44/82/26/852448226.db2.gz NLBGQNXYFTVXTQ-NHCUHLMSSA-N 2 2 416.569 4.339 20 0 HIADLP Cc1cccc(Oc2ccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2)c1 ZINC000215992719 853841177 /nfs/dbraw/zinc/84/11/77/853841177.db2.gz BHRAENSOKYGSSO-UHFFFAOYSA-N 2 2 422.573 4.467 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000237130569 853969864 /nfs/dbraw/zinc/96/98/64/853969864.db2.gz MWTGFPNBFBHNKV-MRXNPFEDSA-N 2 2 412.921 4.100 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000237235698 853987601 /nfs/dbraw/zinc/98/76/01/853987601.db2.gz SDOQIQKZOLGLKX-UHFFFAOYSA-N 2 2 408.771 4.144 20 0 HIADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000237426128 854030671 /nfs/dbraw/zinc/03/06/71/854030671.db2.gz KXHSQKYMOYPCHQ-OAHLLOKOSA-N 2 2 413.319 4.142 20 0 HIADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)o1 ZINC000237573186 854056126 /nfs/dbraw/zinc/05/61/26/854056126.db2.gz LWDGTSSMWJGAFL-KXBFYZLASA-N 2 2 407.480 4.463 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237594583 854059492 /nfs/dbraw/zinc/05/94/92/854059492.db2.gz ZOXNRTAMBLNJIU-AWEZNQCLSA-N 2 2 413.509 4.477 20 0 HIADLP C[NH+](C)C1CC[NH+](CCNc2ccc3cc(Br)cc(Cl)c3n2)CC1 ZINC000302033683 854519808 /nfs/dbraw/zinc/51/98/08/854519808.db2.gz SZNGRQIVSKITRG-UHFFFAOYSA-N 2 2 411.775 4.089 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000303937442 855303978 /nfs/dbraw/zinc/30/39/78/855303978.db2.gz DDHBMXMIAVYSFA-ZWKOTPCHSA-N 2 2 424.416 4.163 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)([NH+]2CCCCC2)CC1 ZINC000303979946 855333687 /nfs/dbraw/zinc/33/36/87/855333687.db2.gz XAGGUOAZHCUSFB-ZWKOTPCHSA-N 2 2 424.416 4.163 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1)C1CC1 ZINC000410305694 855917882 /nfs/dbraw/zinc/91/78/82/855917882.db2.gz IXBGJSOGZWZAMG-NRFANRHFSA-N 2 2 406.574 4.224 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1)C1CC1 ZINC000410305694 855917887 /nfs/dbraw/zinc/91/78/87/855917887.db2.gz IXBGJSOGZWZAMG-NRFANRHFSA-N 2 2 406.574 4.224 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426035742 856062183 /nfs/dbraw/zinc/06/21/83/856062183.db2.gz NOXDDVGXUNZJSB-KZTDQWPFSA-N 2 2 423.605 4.169 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000426035742 856062188 /nfs/dbraw/zinc/06/21/88/856062188.db2.gz NOXDDVGXUNZJSB-KZTDQWPFSA-N 2 2 423.605 4.169 20 0 HIADLP Fc1cc(Br)ccc1[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427886085 856993848 /nfs/dbraw/zinc/99/38/48/856993848.db2.gz YIDWFDIEDMSTPC-OXJNMPFZSA-N 2 2 400.295 4.479 20 0 HIADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000428484021 857220923 /nfs/dbraw/zinc/22/09/23/857220923.db2.gz RENCHPCDVJIBOA-UHFFFAOYSA-N 2 2 423.605 4.326 20 0 HIADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000428484021 857220936 /nfs/dbraw/zinc/22/09/36/857220936.db2.gz RENCHPCDVJIBOA-UHFFFAOYSA-N 2 2 423.605 4.326 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)c1ccccc1Cl ZINC000428676332 857294628 /nfs/dbraw/zinc/29/46/28/857294628.db2.gz YGGFSZTWERLBCM-FQEVSTJZSA-N 2 2 417.985 4.097 20 0 HIADLP C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429414861 857654201 /nfs/dbraw/zinc/65/42/01/857654201.db2.gz GUALLVHTMHADKM-IAGOWNOFSA-N 2 2 414.347 4.137 20 0 HIADLP C[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429440730 857669736 /nfs/dbraw/zinc/66/97/36/857669736.db2.gz DAGAIGNHCGJAQG-FUHWJXTLSA-N 2 2 414.347 4.137 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000429963295 857973008 /nfs/dbraw/zinc/97/30/08/857973008.db2.gz DIOGNJJHSCMGDB-IBGZPJMESA-N 2 2 407.562 4.226 20 0 HIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000430122497 858041245 /nfs/dbraw/zinc/04/12/45/858041245.db2.gz IBQKRMUWOKFVMV-VOBQZIQPSA-N 2 2 413.375 4.254 20 0 HIADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430974142 858388034 /nfs/dbraw/zinc/38/80/34/858388034.db2.gz XAQGFMFOMXYQNA-LJQANCHMSA-N 2 2 417.985 4.013 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000431739391 858777352 /nfs/dbraw/zinc/77/73/52/858777352.db2.gz ZOAYKPLCJYURBQ-OAQYLSRUSA-N 2 2 416.569 4.165 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000431739391 858777362 /nfs/dbraw/zinc/77/73/62/858777362.db2.gz ZOAYKPLCJYURBQ-OAQYLSRUSA-N 2 2 416.569 4.165 20 0 HIADLP COc1ccc(-c2nc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)no2)cc1 ZINC000433131656 859533595 /nfs/dbraw/zinc/53/35/95/859533595.db2.gz VMLLBMKYQWTYJL-UHFFFAOYSA-N 2 2 418.541 4.233 20 0 HIADLP COc1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)no2)cc1 ZINC000433131656 859533603 /nfs/dbraw/zinc/53/36/03/859533603.db2.gz VMLLBMKYQWTYJL-UHFFFAOYSA-N 2 2 418.541 4.233 20 0 HIADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000433979701 860013570 /nfs/dbraw/zinc/01/35/70/860013570.db2.gz QWJAKSHMDZHKMQ-UHFFFAOYSA-N 2 2 423.605 4.150 20 0 HIADLP CC(C)C[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000434309996 860271231 /nfs/dbraw/zinc/27/12/31/860271231.db2.gz WDMLIINIDMRGPP-XKCSPQBFSA-N 2 2 410.562 4.010 20 0 HIADLP Cc1cn2cc(NC(=O)NCc3ccccc3C[N@H+](C)Cc3ccco3)ccc2[nH+]1 ZINC000438110302 863527746 /nfs/dbraw/zinc/52/77/46/863527746.db2.gz PAXJRRYKPNLWPA-UHFFFAOYSA-N 2 2 403.486 4.189 20 0 HIADLP Cc1cn2cc(NC(=O)NCc3ccccc3C[N@@H+](C)Cc3ccco3)ccc2[nH+]1 ZINC000438110302 863527771 /nfs/dbraw/zinc/52/77/71/863527771.db2.gz PAXJRRYKPNLWPA-UHFFFAOYSA-N 2 2 403.486 4.189 20 0 HIADLP c1coc([C@H]2C[NH+](Cc3ccc(C[N@@H+]4CCO[C@@H](c5ccco5)C4)cc3)CCO2)c1 ZINC000438542080 863969470 /nfs/dbraw/zinc/96/94/70/863969470.db2.gz ACFBRNBYAPNTJK-DNQXCXABSA-N 2 2 408.498 4.020 20 0 HIADLP c1coc([C@H]2C[NH+](Cc3ccc(C[N@H+]4CCO[C@@H](c5ccco5)C4)cc3)CCO2)c1 ZINC000438542080 863969486 /nfs/dbraw/zinc/96/94/86/863969486.db2.gz ACFBRNBYAPNTJK-DNQXCXABSA-N 2 2 408.498 4.020 20 0 HIADLP CC(C)C[C@@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468003735 881845080 /nfs/dbraw/zinc/84/50/80/881845080.db2.gz ITIVTVNAQOTDHD-REWPJTCUSA-N 2 2 423.605 4.115 20 0 HIADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000441305896 866376483 /nfs/dbraw/zinc/37/64/83/866376483.db2.gz AWSPJVWTWKPIEC-UHFFFAOYSA-N 2 2 415.335 4.292 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441361231 866431144 /nfs/dbraw/zinc/43/11/44/866431144.db2.gz FRJBDPUXVMZUBM-UGKGYDQZSA-N 2 2 406.530 4.257 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N[C@@H](C)c2ccccc2C)c(C)c1 ZINC000441382089 866453991 /nfs/dbraw/zinc/45/39/91/866453991.db2.gz NBMYYVNIGLBBFT-IMSXRSKXSA-N 2 2 404.558 4.405 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000441390650 866463225 /nfs/dbraw/zinc/46/32/25/866463225.db2.gz YAOBHMIVGXAPND-RODAQWKHSA-N 2 2 420.601 4.304 20 0 HIADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401349 866475083 /nfs/dbraw/zinc/47/50/83/866475083.db2.gz MGHCINRITXPMFR-RDGATRHJSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401349 866475097 /nfs/dbraw/zinc/47/50/97/866475097.db2.gz MGHCINRITXPMFR-RDGATRHJSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401349 866475106 /nfs/dbraw/zinc/47/51/06/866475106.db2.gz MGHCINRITXPMFR-RDGATRHJSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401349 866475112 /nfs/dbraw/zinc/47/51/12/866475112.db2.gz MGHCINRITXPMFR-RDGATRHJSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401346 866475745 /nfs/dbraw/zinc/47/57/45/866475745.db2.gz MGHCINRITXPMFR-RCZVLFRGSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401346 866475752 /nfs/dbraw/zinc/47/57/52/866475752.db2.gz MGHCINRITXPMFR-RCZVLFRGSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401346 866475755 /nfs/dbraw/zinc/47/57/55/866475755.db2.gz MGHCINRITXPMFR-RCZVLFRGSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401346 866475761 /nfs/dbraw/zinc/47/57/61/866475761.db2.gz MGHCINRITXPMFR-RCZVLFRGSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416686 866492355 /nfs/dbraw/zinc/49/23/55/866492355.db2.gz DSXCRKXGSRHXDK-QFZRFWILSA-N 2 2 413.581 4.122 20 0 HIADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416686 866492367 /nfs/dbraw/zinc/49/23/67/866492367.db2.gz DSXCRKXGSRHXDK-QFZRFWILSA-N 2 2 413.581 4.122 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416686 866492375 /nfs/dbraw/zinc/49/23/75/866492375.db2.gz DSXCRKXGSRHXDK-QFZRFWILSA-N 2 2 413.581 4.122 20 0 HIADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000441416686 866492387 /nfs/dbraw/zinc/49/23/87/866492387.db2.gz DSXCRKXGSRHXDK-QFZRFWILSA-N 2 2 413.581 4.122 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444216267 868669709 /nfs/dbraw/zinc/66/97/09/868669709.db2.gz UKINJFIUQMFHAG-YADHBBJMSA-N 2 2 405.586 4.089 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444216267 868669711 /nfs/dbraw/zinc/66/97/11/868669711.db2.gz UKINJFIUQMFHAG-YADHBBJMSA-N 2 2 405.586 4.089 20 0 HIADLP CC[N@H+](CCC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1)CC1CC1 ZINC000444615295 868909385 /nfs/dbraw/zinc/90/93/85/868909385.db2.gz GNJJAOSRBHDXJH-UHFFFAOYSA-N 2 2 404.505 4.349 20 0 HIADLP CC[N@@H+](CCC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1)CC1CC1 ZINC000444615295 868909394 /nfs/dbraw/zinc/90/93/94/868909394.db2.gz GNJJAOSRBHDXJH-UHFFFAOYSA-N 2 2 404.505 4.349 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444791347 869007526 /nfs/dbraw/zinc/00/75/26/869007526.db2.gz BAIKZTLOYWRPQJ-RRFJBIMHSA-N 2 2 409.361 4.172 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444791347 869007541 /nfs/dbraw/zinc/00/75/41/869007541.db2.gz BAIKZTLOYWRPQJ-RRFJBIMHSA-N 2 2 409.361 4.172 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444790579 869007686 /nfs/dbraw/zinc/00/76/86/869007686.db2.gz ITEYTMQZPWHYJG-RTBURBONSA-N 2 2 404.514 4.419 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444790579 869007697 /nfs/dbraw/zinc/00/76/97/869007697.db2.gz ITEYTMQZPWHYJG-RTBURBONSA-N 2 2 404.514 4.419 20 0 HIADLP CCC(C)(C)OCc1ccccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000444918515 869103769 /nfs/dbraw/zinc/10/37/69/869103769.db2.gz HHDRBKMJYRAAIM-UHFFFAOYSA-N 2 2 416.610 4.072 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(-c2nc([C@H]3C[NH+]4CCCC[C@@H]4CO3)no2)c1 ZINC000445818025 869840810 /nfs/dbraw/zinc/84/08/10/869840810.db2.gz IZCMJXOPLMHDQR-DHIUTWEWSA-N 2 2 418.541 4.294 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(-c2nc([C@H]3C[NH+]4CCCC[C@@H]4CO3)no2)c1 ZINC000445818025 869840811 /nfs/dbraw/zinc/84/08/11/869840811.db2.gz IZCMJXOPLMHDQR-DHIUTWEWSA-N 2 2 418.541 4.294 20 0 HIADLP C[NH+](Cc1ccccc1)Cc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000445818025 869840816 /nfs/dbraw/zinc/84/08/16/869840816.db2.gz IZCMJXOPLMHDQR-DHIUTWEWSA-N 2 2 418.541 4.294 20 0 HIADLP C[NH+](Cc1ccccc1)Cc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1 ZINC000445818025 869840818 /nfs/dbraw/zinc/84/08/18/869840818.db2.gz IZCMJXOPLMHDQR-DHIUTWEWSA-N 2 2 418.541 4.294 20 0 HIADLP CN(C(=O)N[C@H]1CCCc2sccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000468471939 882428687 /nfs/dbraw/zinc/42/86/87/882428687.db2.gz WMNQERXATQFSBK-HBMCJLEFSA-N 2 2 418.651 4.104 20 0 HIADLP CN(C(=O)N[C@H]1CCCc2sccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468471939 882428713 /nfs/dbraw/zinc/42/87/13/882428713.db2.gz WMNQERXATQFSBK-HBMCJLEFSA-N 2 2 418.651 4.104 20 0 HIADLP Cc1ccccc1Sc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000448246894 872164928 /nfs/dbraw/zinc/16/49/28/872164928.db2.gz GPPHZDMQHKOZFR-UHFFFAOYSA-N 2 2 411.615 4.244 20 0 HIADLP Cc1ccccc1Sc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000448246894 872164938 /nfs/dbraw/zinc/16/49/38/872164938.db2.gz GPPHZDMQHKOZFR-UHFFFAOYSA-N 2 2 411.615 4.244 20 0 HIADLP C[NH+]1CCC(CNC(=O)C2(c3cccs3)CCCCC2)([NH+]2CCCCC2)CC1 ZINC000460483509 873169241 /nfs/dbraw/zinc/16/92/41/873169241.db2.gz QNJGBVTWZHLUAL-UHFFFAOYSA-N 2 2 403.636 4.017 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2ccc(OC3CCCCC3)cc2)([NH+]2CCCCC2)CC1 ZINC000460483861 873169428 /nfs/dbraw/zinc/16/94/28/873169428.db2.gz UAPZXLPGKMVAEQ-UHFFFAOYSA-N 2 2 413.606 4.078 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2ccccc2CCc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000460502737 873188330 /nfs/dbraw/zinc/18/83/30/873188330.db2.gz SCLYCWJTIMQGOW-UHFFFAOYSA-N 2 2 419.613 4.152 20 0 HIADLP CCCC[C@H]([NH2+]C1CC[NH+](CCC)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000462030203 875145681 /nfs/dbraw/zinc/14/56/81/875145681.db2.gz XSRYLFMVKAXSBR-QHCPKHFHSA-N 2 2 400.611 4.248 20 0 HIADLP COCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3C(F)(F)F)nc2)CC1 ZINC000462104034 875211904 /nfs/dbraw/zinc/21/19/04/875211904.db2.gz IWZDDDQCLJNPIH-UHFFFAOYSA-N 2 2 409.452 4.093 20 0 HIADLP Cc1cc(C[NH2+][C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)ccc1-n1cncn1 ZINC000462747334 875815286 /nfs/dbraw/zinc/81/52/86/875815286.db2.gz CZLJUCYGMYZPJF-XMMPIXPASA-N 2 2 403.574 4.138 20 0 HIADLP Cc1cc(C[NH2+][C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)ccc1-n1cncn1 ZINC000462747334 875815290 /nfs/dbraw/zinc/81/52/90/875815290.db2.gz CZLJUCYGMYZPJF-XMMPIXPASA-N 2 2 403.574 4.138 20 0 HIADLP Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(N4CC[NH+](C(C)C)CC4)cc3)cc2)c1C ZINC000462780983 875836218 /nfs/dbraw/zinc/83/62/18/875836218.db2.gz XEWPBXLDZURXRB-UHFFFAOYSA-N 2 2 417.557 4.272 20 0 HIADLP CC1CC[NH+](CCC[C@@H]([NH2+]Cc2nnc3n2CCCCC3)c2ccc(F)cc2)CC1 ZINC000462805005 875853359 /nfs/dbraw/zinc/85/33/59/875853359.db2.gz UBBWHQNVQZLHTJ-JOCHJYFZSA-N 2 2 413.585 4.487 20 0 HIADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463697396 876817031 /nfs/dbraw/zinc/81/70/31/876817031.db2.gz IQTJMOITTMOHDN-JOCHJYFZSA-N 2 2 417.557 4.181 20 0 HIADLP C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)C2)CC1 ZINC000463705957 876825664 /nfs/dbraw/zinc/82/56/64/876825664.db2.gz RBXKPEXPPFPBCE-HXUWFJFHSA-N 2 2 407.562 4.082 20 0 HIADLP CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805126 878050152 /nfs/dbraw/zinc/05/01/52/878050152.db2.gz JZFOWGPWMDOVLI-UHFFFAOYSA-N 2 2 400.954 4.220 20 0 HIADLP CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805126 878050168 /nfs/dbraw/zinc/05/01/68/878050168.db2.gz JZFOWGPWMDOVLI-UHFFFAOYSA-N 2 2 400.954 4.220 20 0 HIADLP CC[N@@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806317 878051780 /nfs/dbraw/zinc/05/17/80/878051780.db2.gz OZQQYOQSALGNBZ-UHFFFAOYSA-N 2 2 420.601 4.120 20 0 HIADLP CC[N@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806317 878051805 /nfs/dbraw/zinc/05/18/05/878051805.db2.gz OZQQYOQSALGNBZ-UHFFFAOYSA-N 2 2 420.601 4.120 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812234 878064238 /nfs/dbraw/zinc/06/42/38/878064238.db2.gz UYXIAJACQGNRDA-UHFFFAOYSA-N 2 2 400.954 4.220 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812234 878064240 /nfs/dbraw/zinc/06/42/40/878064240.db2.gz UYXIAJACQGNRDA-UHFFFAOYSA-N 2 2 400.954 4.220 20 0 HIADLP CCN(C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000464843580 878116112 /nfs/dbraw/zinc/11/61/12/878116112.db2.gz WHJWDHXROCZLCA-RBBKRZOGSA-N 2 2 411.565 4.189 20 0 HIADLP CCN(C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000464843580 878116120 /nfs/dbraw/zinc/11/61/20/878116120.db2.gz WHJWDHXROCZLCA-RBBKRZOGSA-N 2 2 411.565 4.189 20 0 HIADLP CCN(C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000464843580 878116126 /nfs/dbraw/zinc/11/61/26/878116126.db2.gz WHJWDHXROCZLCA-RBBKRZOGSA-N 2 2 411.565 4.189 20 0 HIADLP CCN(C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000464843580 878116132 /nfs/dbraw/zinc/11/61/32/878116132.db2.gz WHJWDHXROCZLCA-RBBKRZOGSA-N 2 2 411.565 4.189 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464848699 878123505 /nfs/dbraw/zinc/12/35/05/878123505.db2.gz XHGZUSRBRPMRQB-FPOVZHCZSA-N 2 2 413.993 4.313 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464848699 878123527 /nfs/dbraw/zinc/12/35/27/878123527.db2.gz XHGZUSRBRPMRQB-FPOVZHCZSA-N 2 2 413.993 4.313 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464848699 878123553 /nfs/dbraw/zinc/12/35/53/878123553.db2.gz XHGZUSRBRPMRQB-FPOVZHCZSA-N 2 2 413.993 4.313 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464848699 878123589 /nfs/dbraw/zinc/12/35/89/878123589.db2.gz XHGZUSRBRPMRQB-FPOVZHCZSA-N 2 2 413.993 4.313 20 0 HIADLP CC1(C)CC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC(C)(C)[NH2+]1 ZINC000503356907 912331426 /nfs/dbraw/zinc/33/14/26/912331426.db2.gz SOSUJCLGJKMPJY-GOSISDBHSA-N 2 2 422.411 4.011 20 0 HIADLP O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503367790 912344635 /nfs/dbraw/zinc/34/46/35/912344635.db2.gz BEHHDKIUDDVYGE-NVXWUHKLSA-N 2 2 424.372 4.146 20 0 HIADLP O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503367790 912344654 /nfs/dbraw/zinc/34/46/54/912344654.db2.gz BEHHDKIUDDVYGE-NVXWUHKLSA-N 2 2 424.372 4.146 20 0 HIADLP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)c1 ZINC000503390836 912374110 /nfs/dbraw/zinc/37/41/10/912374110.db2.gz KCCZSTQMIPWLDP-KRWDZBQOSA-N 2 2 411.937 4.345 20 0 HIADLP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)c1 ZINC000503390836 912374131 /nfs/dbraw/zinc/37/41/31/912374131.db2.gz KCCZSTQMIPWLDP-KRWDZBQOSA-N 2 2 411.937 4.345 20 0 HIADLP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402621 912382869 /nfs/dbraw/zinc/38/28/69/912382869.db2.gz BOLFEUFWIBPKMJ-YJBOKZPZSA-N 2 2 424.372 4.146 20 0 HIADLP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503402621 912382899 /nfs/dbraw/zinc/38/28/99/912382899.db2.gz BOLFEUFWIBPKMJ-YJBOKZPZSA-N 2 2 424.372 4.146 20 0 HIADLP CC[NH+]1CCC(CCNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000465552166 879017126 /nfs/dbraw/zinc/01/71/26/879017126.db2.gz YSPONJWOIOMRDM-FQEVSTJZSA-N 2 2 424.992 4.037 20 0 HIADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000503438374 912450070 /nfs/dbraw/zinc/45/00/70/912450070.db2.gz HDPWNXWTCPOKDZ-GCJKJVERSA-N 2 2 410.537 4.042 20 0 HIADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000503438374 912450096 /nfs/dbraw/zinc/45/00/96/912450096.db2.gz HDPWNXWTCPOKDZ-GCJKJVERSA-N 2 2 410.537 4.042 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437811 912450683 /nfs/dbraw/zinc/45/06/83/912450683.db2.gz YGQKSSYHEZWABN-HBFSDRIKSA-N 2 2 412.603 4.213 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437811 912450706 /nfs/dbraw/zinc/45/07/06/912450706.db2.gz YGQKSSYHEZWABN-HBFSDRIKSA-N 2 2 412.603 4.213 20 0 HIADLP C[NH+]1CCC(CNC(=O)N(Cc2ccccc2)CC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000466153234 879858469 /nfs/dbraw/zinc/85/84/69/879858469.db2.gz IRSPPEKYMOXTCE-UHFFFAOYSA-N 2 2 414.638 4.195 20 0 HIADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[NH+]1CCCCCC1 ZINC000469249228 883346150 /nfs/dbraw/zinc/34/61/50/883346150.db2.gz RAUSEJVMFGYAJL-MRXNPFEDSA-N 2 2 412.405 4.339 20 0 HIADLP CCC(CC)(CNC(=O)c1ccccc1C[NH+]1CCOCC1)[NH2+][C@H](C)c1ccccc1 ZINC000469499024 883743278 /nfs/dbraw/zinc/74/32/78/883743278.db2.gz DYRXBOLHTWMRQE-OAQYLSRUSA-N 2 2 423.601 4.158 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587506 883825638 /nfs/dbraw/zinc/82/56/38/883825638.db2.gz UJDBJZZGJAQWIR-DNVFCKCGSA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587506 883825639 /nfs/dbraw/zinc/82/56/39/883825639.db2.gz UJDBJZZGJAQWIR-DNVFCKCGSA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587506 883825642 /nfs/dbraw/zinc/82/56/42/883825642.db2.gz UJDBJZZGJAQWIR-DNVFCKCGSA-N 2 2 419.560 4.042 20 0 HIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000469587506 883825643 /nfs/dbraw/zinc/82/56/43/883825643.db2.gz UJDBJZZGJAQWIR-DNVFCKCGSA-N 2 2 419.560 4.042 20 0 HIADLP Clc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1Br ZINC000469720683 883885425 /nfs/dbraw/zinc/88/54/25/883885425.db2.gz KDJOCCZVFFUZJP-UHFFFAOYSA-N 2 2 401.776 4.179 20 0 HIADLP C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000469759262 883925405 /nfs/dbraw/zinc/92/54/05/883925405.db2.gz XNFKQOIZVVMVDG-REWPJTCUSA-N 2 2 409.578 4.052 20 0 HIADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000469767116 883937871 /nfs/dbraw/zinc/93/78/71/883937871.db2.gz YJVGQEQWLJLERH-DNVCBOLYSA-N 2 2 414.431 4.347 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc(-c3c(F)cccc3F)cs2)[C@H](C)C1 ZINC000469790064 883964792 /nfs/dbraw/zinc/96/47/92/883964792.db2.gz HPWHYTFDYGONML-QAPCUYQASA-N 2 2 409.546 4.315 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc(-c3c(F)cccc3F)cs2)[C@H](C)C1 ZINC000469790064 883964813 /nfs/dbraw/zinc/96/48/13/883964813.db2.gz HPWHYTFDYGONML-QAPCUYQASA-N 2 2 409.546 4.315 20 0 HIADLP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2cccs2)CC1 ZINC000469863825 884051063 /nfs/dbraw/zinc/05/10/63/884051063.db2.gz SYJYWSBUGMXJME-VAMGGRTRSA-N 2 2 415.607 4.010 20 0 HIADLP C[N@H+](CCOc1ccc(Cl)cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471177855 885742259 /nfs/dbraw/zinc/74/22/59/885742259.db2.gz RXUMTHFUTQUMEU-UHFFFAOYSA-N 2 2 408.373 4.406 20 0 HIADLP C[N@@H+](CCOc1ccc(Cl)cc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471177855 885742283 /nfs/dbraw/zinc/74/22/83/885742283.db2.gz RXUMTHFUTQUMEU-UHFFFAOYSA-N 2 2 408.373 4.406 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471238759 885814920 /nfs/dbraw/zinc/81/49/20/885814920.db2.gz WNWLNJBEEFZHAG-VPHKFGTKSA-N 2 2 411.565 4.036 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471238759 885814926 /nfs/dbraw/zinc/81/49/26/885814926.db2.gz WNWLNJBEEFZHAG-VPHKFGTKSA-N 2 2 411.565 4.036 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471238759 885814930 /nfs/dbraw/zinc/81/49/30/885814930.db2.gz WNWLNJBEEFZHAG-VPHKFGTKSA-N 2 2 411.565 4.036 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471238759 885814935 /nfs/dbraw/zinc/81/49/35/885814935.db2.gz WNWLNJBEEFZHAG-VPHKFGTKSA-N 2 2 411.565 4.036 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000472776173 887622015 /nfs/dbraw/zinc/62/20/15/887622015.db2.gz WKOBKPXWUGEEAQ-LRQRDZAKSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000472776173 887622020 /nfs/dbraw/zinc/62/20/20/887622020.db2.gz WKOBKPXWUGEEAQ-LRQRDZAKSA-N 2 2 408.464 4.119 20 0 HIADLP O=C1[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000473671349 888430891 /nfs/dbraw/zinc/43/08/91/888430891.db2.gz VKBIDMMTFVCINQ-FQEVSTJZSA-N 2 2 418.368 4.353 20 0 HIADLP O=C1[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000473671350 888430963 /nfs/dbraw/zinc/43/09/63/888430963.db2.gz VKBIDMMTFVCINQ-HXUWFJFHSA-N 2 2 418.368 4.353 20 0 HIADLP FC(F)(F)Oc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Br ZINC000474160562 888999327 /nfs/dbraw/zinc/99/93/27/888999327.db2.gz WBJRLMCPIPKNMC-UHFFFAOYSA-N 2 2 404.230 4.450 20 0 HIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000474471683 889333633 /nfs/dbraw/zinc/33/36/33/889333633.db2.gz UIBXSXAXJJGZHB-UHFFFAOYSA-N 2 2 405.011 4.277 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[NH+]3CCC(C)CC3)cc1)C2 ZINC000474688525 889551449 /nfs/dbraw/zinc/55/14/49/889551449.db2.gz LCFJONSYHBCNHN-NRFANRHFSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[NH+]3CCC(C)CC3)cc1)CC2 ZINC000474688525 889551466 /nfs/dbraw/zinc/55/14/66/889551466.db2.gz LCFJONSYHBCNHN-NRFANRHFSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)C2 ZINC000475118384 889972706 /nfs/dbraw/zinc/97/27/06/889972706.db2.gz KDSBBTGJAGNUGT-NFBKMPQASA-N 2 2 408.590 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)CC2 ZINC000475118384 889972721 /nfs/dbraw/zinc/97/27/21/889972721.db2.gz KDSBBTGJAGNUGT-NFBKMPQASA-N 2 2 408.590 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cccc(C[NH+]3CCCCCC3)c1)C2 ZINC000475373850 890303931 /nfs/dbraw/zinc/30/39/31/890303931.db2.gz YHOPBYUTNFJVAV-OAQYLSRUSA-N 2 2 408.590 4.330 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cccc(C[NH+]3CCCCCC3)c1)CC2 ZINC000475373850 890303943 /nfs/dbraw/zinc/30/39/43/890303943.db2.gz YHOPBYUTNFJVAV-OAQYLSRUSA-N 2 2 408.590 4.330 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000475553913 890480154 /nfs/dbraw/zinc/48/01/54/890480154.db2.gz LLMDUOVPUZUQCH-UHFFFAOYSA-N 2 2 408.542 4.159 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1([NH2+][C@H](C)c3ccccc3)CCCC1)C2 ZINC000476040654 890972386 /nfs/dbraw/zinc/97/23/86/890972386.db2.gz JMHORQVWFABAFK-QUCCMNQESA-N 2 2 408.590 4.418 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1([NH2+][C@H](C)c3ccccc3)CCCC1)CC2 ZINC000476040654 890972398 /nfs/dbraw/zinc/97/23/98/890972398.db2.gz JMHORQVWFABAFK-QUCCMNQESA-N 2 2 408.590 4.418 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000476085237 891007675 /nfs/dbraw/zinc/00/76/75/891007675.db2.gz KITLNGKFKHJRIN-HMXCVIKNSA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000476085237 891007694 /nfs/dbraw/zinc/00/76/94/891007694.db2.gz KITLNGKFKHJRIN-HMXCVIKNSA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000476085237 891007714 /nfs/dbraw/zinc/00/77/14/891007714.db2.gz KITLNGKFKHJRIN-HMXCVIKNSA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000476085237 891007733 /nfs/dbraw/zinc/00/77/33/891007733.db2.gz KITLNGKFKHJRIN-HMXCVIKNSA-N 2 2 408.590 4.150 20 0 HIADLP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000478032745 893161088 /nfs/dbraw/zinc/16/10/88/893161088.db2.gz XWFUBBMJEIPBSN-IRXDYDNUSA-N 2 2 415.965 4.263 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000478032743 893162164 /nfs/dbraw/zinc/16/21/64/893162164.db2.gz XWFUBBMJEIPBSN-CALCHBBNSA-N 2 2 415.965 4.263 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000478032743 893162184 /nfs/dbraw/zinc/16/21/84/893162184.db2.gz XWFUBBMJEIPBSN-CALCHBBNSA-N 2 2 415.965 4.263 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000478052984 893203652 /nfs/dbraw/zinc/20/36/52/893203652.db2.gz JEVKGSIYTQNLFE-INIZCTEOSA-N 2 2 402.970 4.465 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000478052984 893203672 /nfs/dbraw/zinc/20/36/72/893203672.db2.gz JEVKGSIYTQNLFE-INIZCTEOSA-N 2 2 402.970 4.465 20 0 HIADLP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccco1 ZINC000479019441 894286252 /nfs/dbraw/zinc/28/62/52/894286252.db2.gz PYFKWNDXAUAZSF-LAUBAEHRSA-N 2 2 419.529 4.446 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000479455563 894777561 /nfs/dbraw/zinc/77/75/61/894777561.db2.gz NZESFFBBIGHBCI-OAQYLSRUSA-N 2 2 423.605 4.118 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000479455563 894777582 /nfs/dbraw/zinc/77/75/82/894777582.db2.gz NZESFFBBIGHBCI-OAQYLSRUSA-N 2 2 423.605 4.118 20 0 HIADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000479476534 894800255 /nfs/dbraw/zinc/80/02/55/894800255.db2.gz CNRBACKJMDPEGQ-XVAXZDLZSA-N 2 2 421.511 4.113 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1Br ZINC000479885237 895230943 /nfs/dbraw/zinc/23/09/43/895230943.db2.gz DWBNYOMLLHPJQI-OAHLLOKOSA-N 2 2 407.327 4.271 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)N2CCCC2)c1 ZINC000480083152 895441499 /nfs/dbraw/zinc/44/14/99/895441499.db2.gz ORJSVFMXUUPDLW-BYXVTNLJSA-N 2 2 407.602 4.332 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)N2CCCC2)c1 ZINC000480083152 895441513 /nfs/dbraw/zinc/44/15/13/895441513.db2.gz ORJSVFMXUUPDLW-BYXVTNLJSA-N 2 2 407.602 4.332 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1)CCC2 ZINC000480181403 895574052 /nfs/dbraw/zinc/57/40/52/895574052.db2.gz NWUVEQJSNRJDOK-QFBILLFUSA-N 2 2 412.335 4.001 20 0 HIADLP C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480265210 895673926 /nfs/dbraw/zinc/67/39/26/895673926.db2.gz MAXXNRMHEPMIBK-MBSDFSHPSA-N 2 2 410.949 4.250 20 0 HIADLP Cc1c([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)nnn1-c1ccc(Cl)cc1 ZINC000480528900 895892092 /nfs/dbraw/zinc/89/20/92/895892092.db2.gz PAYMTJUIKNGSFM-KRWDZBQOSA-N 2 2 420.948 4.367 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccn4)C[C@@H]3C)cc2)C1 ZINC000480603856 895967769 /nfs/dbraw/zinc/96/77/69/895967769.db2.gz CLBIAALPNGHHAI-TVZXLZGTSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccn4)C[C@@H]3C)cc2)C1 ZINC000480603856 895967771 /nfs/dbraw/zinc/96/77/71/895967771.db2.gz CLBIAALPNGHHAI-TVZXLZGTSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)C1 ZINC000480603856 895967775 /nfs/dbraw/zinc/96/77/75/895967775.db2.gz CLBIAALPNGHHAI-TVZXLZGTSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)C1 ZINC000480603856 895967778 /nfs/dbraw/zinc/96/77/78/895967778.db2.gz CLBIAALPNGHHAI-TVZXLZGTSA-N 3 2 406.618 4.314 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCSc4ccc(Cl)cc43)cc2)CC1 ZINC000480619027 895986375 /nfs/dbraw/zinc/98/63/75/895986375.db2.gz XAKMHRAMHOSCPZ-HXUWFJFHSA-N 2 2 415.990 4.054 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000480621962 895990103 /nfs/dbraw/zinc/99/01/03/895990103.db2.gz UQNLPBRDFQTAHE-XLGIIRLISA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000480621962 895990109 /nfs/dbraw/zinc/99/01/09/895990109.db2.gz UQNLPBRDFQTAHE-XLGIIRLISA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000480621962 895990112 /nfs/dbraw/zinc/99/01/12/895990112.db2.gz UQNLPBRDFQTAHE-XLGIIRLISA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000480621962 895990116 /nfs/dbraw/zinc/99/01/16/895990116.db2.gz UQNLPBRDFQTAHE-XLGIIRLISA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000480770757 896133377 /nfs/dbraw/zinc/13/33/77/896133377.db2.gz LYYBKFQIIYGYCH-GOSISDBHSA-N 2 2 409.965 4.278 20 0 HIADLP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc(Cl)ccc1OC ZINC000480899639 896254550 /nfs/dbraw/zinc/25/45/50/896254550.db2.gz PYWRESDUQALQPL-JOCHJYFZSA-N 2 2 401.982 4.337 20 0 HIADLP C[C@@H]([NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000481037593 896363715 /nfs/dbraw/zinc/36/37/15/896363715.db2.gz KXDHSALOGCCQER-AUSIDOKSSA-N 2 2 415.603 4.182 20 0 HIADLP CCN(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1nc2ccccc2s1 ZINC000481169859 896505373 /nfs/dbraw/zinc/50/53/73/896505373.db2.gz JEQZYDYZGCTJCW-UYAOXDASSA-N 2 2 422.598 4.149 20 0 HIADLP CCN(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1nc2ccccc2s1 ZINC000481169859 896505383 /nfs/dbraw/zinc/50/53/83/896505383.db2.gz JEQZYDYZGCTJCW-UYAOXDASSA-N 2 2 422.598 4.149 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000481186054 896533244 /nfs/dbraw/zinc/53/32/44/896533244.db2.gz HIKOASCPYRHZPL-KCZVDYSFSA-N 2 2 423.626 4.404 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000481186054 896533251 /nfs/dbraw/zinc/53/32/51/896533251.db2.gz HIKOASCPYRHZPL-KCZVDYSFSA-N 2 2 423.626 4.404 20 0 HIADLP COc1ccc2oc([C@H](C)[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)c(C)c2c1 ZINC000481195920 896548224 /nfs/dbraw/zinc/54/82/24/896548224.db2.gz YRHGZDYNPFHLOF-IBGZPJMESA-N 2 2 424.541 4.312 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1nc2ccccc2s1 ZINC000481193955 896548794 /nfs/dbraw/zinc/54/87/94/896548794.db2.gz VQZBDNDFIAJXAV-ZIFCJYIRSA-N 2 2 408.571 4.124 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1nc2ccccc2s1 ZINC000481193955 896548805 /nfs/dbraw/zinc/54/88/05/896548805.db2.gz VQZBDNDFIAJXAV-ZIFCJYIRSA-N 2 2 408.571 4.124 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000481198897 896552772 /nfs/dbraw/zinc/55/27/72/896552772.db2.gz DGUBOCHGKNRVQM-KRWDZBQOSA-N 2 2 424.463 4.147 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000481341348 896706603 /nfs/dbraw/zinc/70/66/03/896706603.db2.gz SOCAHUSYIDBOFN-MBSDFSHPSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000481341348 896706617 /nfs/dbraw/zinc/70/66/17/896706617.db2.gz SOCAHUSYIDBOFN-MBSDFSHPSA-N 2 2 406.505 4.408 20 0 HIADLP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)CCOCC2)cc1 ZINC000481542068 896902280 /nfs/dbraw/zinc/90/22/80/896902280.db2.gz JGEOFUKYAYSJGG-OFVILXPXSA-N 2 2 423.601 4.029 20 0 HIADLP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)CCOCC2)cc1 ZINC000481542068 896902294 /nfs/dbraw/zinc/90/22/94/896902294.db2.gz JGEOFUKYAYSJGG-OFVILXPXSA-N 2 2 423.601 4.029 20 0 HIADLP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)CCOCC2)cc1 ZINC000481542065 896902571 /nfs/dbraw/zinc/90/25/71/896902571.db2.gz JGEOFUKYAYSJGG-BWKNWUBXSA-N 2 2 423.601 4.029 20 0 HIADLP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)CCOCC2)cc1 ZINC000481542065 896902593 /nfs/dbraw/zinc/90/25/93/896902593.db2.gz JGEOFUKYAYSJGG-BWKNWUBXSA-N 2 2 423.601 4.029 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481572870 896952219 /nfs/dbraw/zinc/95/22/19/896952219.db2.gz NFTNCMDTGYIQKF-GOSISDBHSA-N 2 2 409.555 4.439 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2-c2ccccc2)[C@@H](C)C1 ZINC000482147726 897610974 /nfs/dbraw/zinc/61/09/74/897610974.db2.gz RKOABYMGUJZYPM-REWPJTCUSA-N 2 2 409.574 4.019 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2-c2ccccc2)[C@@H](C)C1 ZINC000482147726 897610982 /nfs/dbraw/zinc/61/09/82/897610982.db2.gz RKOABYMGUJZYPM-REWPJTCUSA-N 2 2 409.574 4.019 20 0 HIADLP CCC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)N1CCc2sccc2C1 ZINC000482253632 897735124 /nfs/dbraw/zinc/73/51/24/897735124.db2.gz RFFUYMAYLFFBGD-DYESRHJHSA-N 2 2 408.571 4.338 20 0 HIADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC1CCCC1 ZINC000482439171 897999862 /nfs/dbraw/zinc/99/98/62/897999862.db2.gz OAEWZJHQPMTGOH-CVDCTZTESA-N 2 2 409.574 4.412 20 0 HIADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC1CCCC1 ZINC000482439171 897999871 /nfs/dbraw/zinc/99/98/71/897999871.db2.gz OAEWZJHQPMTGOH-CVDCTZTESA-N 2 2 409.574 4.412 20 0 HIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000482462208 898036831 /nfs/dbraw/zinc/03/68/31/898036831.db2.gz VONHPOPHMCYODB-PGRDOPGGSA-N 2 2 409.574 4.277 20 0 HIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000482462208 898036839 /nfs/dbraw/zinc/03/68/39/898036839.db2.gz VONHPOPHMCYODB-PGRDOPGGSA-N 2 2 409.574 4.277 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482956093 898585829 /nfs/dbraw/zinc/58/58/29/898585829.db2.gz ZVEOTVMIIWZKJN-GJZUVCINSA-N 3 2 406.618 4.458 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000482956093 898585838 /nfs/dbraw/zinc/58/58/38/898585838.db2.gz ZVEOTVMIIWZKJN-GJZUVCINSA-N 3 2 406.618 4.458 20 0 HIADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000483481708 899127965 /nfs/dbraw/zinc/12/79/65/899127965.db2.gz IQHOXHKUCSBPGP-IEBWSBKVSA-N 2 2 401.576 4.134 20 0 HIADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cs2)cc1OC ZINC000483481708 899127974 /nfs/dbraw/zinc/12/79/74/899127974.db2.gz IQHOXHKUCSBPGP-IEBWSBKVSA-N 2 2 401.576 4.134 20 0 HIADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cs2)cc1OC ZINC000483481708 899127984 /nfs/dbraw/zinc/12/79/84/899127984.db2.gz IQHOXHKUCSBPGP-IEBWSBKVSA-N 2 2 401.576 4.134 20 0 HIADLP CCOc1ccc(-c2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cs2)cc1OC ZINC000483481708 899127994 /nfs/dbraw/zinc/12/79/94/899127994.db2.gz IQHOXHKUCSBPGP-IEBWSBKVSA-N 2 2 401.576 4.134 20 0 HIADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000483483025 899133250 /nfs/dbraw/zinc/13/32/50/899133250.db2.gz UFODCQOUKPUOSU-NSISKUIASA-N 2 2 410.389 4.073 20 0 HIADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000483483025 899133265 /nfs/dbraw/zinc/13/32/65/899133265.db2.gz UFODCQOUKPUOSU-NSISKUIASA-N 2 2 410.389 4.073 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000483483025 899133273 /nfs/dbraw/zinc/13/32/73/899133273.db2.gz UFODCQOUKPUOSU-NSISKUIASA-N 2 2 410.389 4.073 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000483483025 899133285 /nfs/dbraw/zinc/13/32/85/899133285.db2.gz UFODCQOUKPUOSU-NSISKUIASA-N 2 2 410.389 4.073 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000484150593 899771593 /nfs/dbraw/zinc/77/15/93/899771593.db2.gz YJXTVVQKEPAXPN-DZFGPLHGSA-N 2 2 402.991 4.350 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000484150593 899771604 /nfs/dbraw/zinc/77/16/04/899771604.db2.gz YJXTVVQKEPAXPN-DZFGPLHGSA-N 2 2 402.991 4.350 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000484156111 899777244 /nfs/dbraw/zinc/77/72/44/899777244.db2.gz BYQXYGMPWZTAIN-DZFGPLHGSA-N 2 2 402.991 4.350 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000484156111 899777252 /nfs/dbraw/zinc/77/72/52/899777252.db2.gz BYQXYGMPWZTAIN-DZFGPLHGSA-N 2 2 402.991 4.350 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000484171741 899790135 /nfs/dbraw/zinc/79/01/35/899790135.db2.gz GXZDFJOBVCLRBZ-LDQXTDLNSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000484171741 899790145 /nfs/dbraw/zinc/79/01/45/899790145.db2.gz GXZDFJOBVCLRBZ-LDQXTDLNSA-N 2 2 408.464 4.119 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000484172590 899791849 /nfs/dbraw/zinc/79/18/49/899791849.db2.gz ICUNSRQAINTKEQ-BWAGFHJFSA-N 2 2 420.475 4.045 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000484172590 899791856 /nfs/dbraw/zinc/79/18/56/899791856.db2.gz ICUNSRQAINTKEQ-BWAGFHJFSA-N 2 2 420.475 4.045 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000484172593 899792037 /nfs/dbraw/zinc/79/20/37/899792037.db2.gz ICUNSRQAINTKEQ-YUXAGFNASA-N 2 2 420.475 4.045 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000484172593 899792048 /nfs/dbraw/zinc/79/20/48/899792048.db2.gz ICUNSRQAINTKEQ-YUXAGFNASA-N 2 2 420.475 4.045 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000484172592 899792700 /nfs/dbraw/zinc/79/27/00/899792700.db2.gz ICUNSRQAINTKEQ-VLCRHTCISA-N 2 2 420.475 4.045 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000484172592 899792712 /nfs/dbraw/zinc/79/27/12/899792712.db2.gz ICUNSRQAINTKEQ-VLCRHTCISA-N 2 2 420.475 4.045 20 0 HIADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC2CCCC2)c1 ZINC000484472753 899966556 /nfs/dbraw/zinc/96/65/56/899966556.db2.gz HJJZLSGTLUUSHP-DVECYGJZSA-N 2 2 409.574 4.412 20 0 HIADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC2CCCC2)c1 ZINC000484472753 899966563 /nfs/dbraw/zinc/96/65/63/899966563.db2.gz HJJZLSGTLUUSHP-DVECYGJZSA-N 2 2 409.574 4.412 20 0 HIADLP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCCC1)c1ccccc1 ZINC000485771237 901027773 /nfs/dbraw/zinc/02/77/73/901027773.db2.gz CEJFBNDXRLGENW-RTWAWAEBSA-N 2 2 423.605 4.048 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1 ZINC000486181552 901366756 /nfs/dbraw/zinc/36/67/56/901366756.db2.gz DIWDOGYBJYUQAS-AWEZNQCLSA-N 2 2 422.439 4.190 20 0 HIADLP c1cn(-c2ccc(C[N@@H+]3C[C@H]4CCC[C@@]4(c4nc(-c5ccccc5)no4)C3)cc2)c[nH+]1 ZINC000486460927 901620389 /nfs/dbraw/zinc/62/03/89/901620389.db2.gz BRKKOPPEHCTRIA-PXDATVDWSA-N 2 2 411.509 4.476 20 0 HIADLP c1cn(-c2ccc(C[N@H+]3C[C@H]4CCC[C@@]4(c4nc(-c5ccccc5)no4)C3)cc2)c[nH+]1 ZINC000486460927 901620396 /nfs/dbraw/zinc/62/03/96/901620396.db2.gz BRKKOPPEHCTRIA-PXDATVDWSA-N 2 2 411.509 4.476 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486506689 901657589 /nfs/dbraw/zinc/65/75/89/901657589.db2.gz OKAONBCJPHRNPC-FCHUYYIVSA-N 2 2 404.574 4.189 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486506689 901657594 /nfs/dbraw/zinc/65/75/94/901657594.db2.gz OKAONBCJPHRNPC-FCHUYYIVSA-N 2 2 404.574 4.189 20 0 HIADLP CC[N@@H+](Cc1ccn(-c2ccc(F)cc2F)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000487921379 902454091 /nfs/dbraw/zinc/45/40/91/902454091.db2.gz VUKKOYRIJLEJLC-UHFFFAOYSA-N 2 2 411.500 4.284 20 0 HIADLP CC[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000487921379 902454101 /nfs/dbraw/zinc/45/41/01/902454101.db2.gz VUKKOYRIJLEJLC-UHFFFAOYSA-N 2 2 411.500 4.284 20 0 HIADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000488204742 902687836 /nfs/dbraw/zinc/68/78/36/902687836.db2.gz XXDDMPPEFBBAMV-SIKLNZKXSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000488204742 902687842 /nfs/dbraw/zinc/68/78/42/902687842.db2.gz XXDDMPPEFBBAMV-SIKLNZKXSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@H]1C[C@H]([N@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000488204742 902687848 /nfs/dbraw/zinc/68/78/48/902687848.db2.gz XXDDMPPEFBBAMV-SIKLNZKXSA-N 2 2 408.542 4.016 20 0 HIADLP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1Cc1ccccc1 ZINC000488204742 902687850 /nfs/dbraw/zinc/68/78/50/902687850.db2.gz XXDDMPPEFBBAMV-SIKLNZKXSA-N 2 2 408.542 4.016 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000489354504 903344115 /nfs/dbraw/zinc/34/41/15/903344115.db2.gz AHJQNXOIXGFASJ-LJQANCHMSA-N 2 2 424.614 4.147 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000489354504 903344132 /nfs/dbraw/zinc/34/41/32/903344132.db2.gz AHJQNXOIXGFASJ-LJQANCHMSA-N 2 2 424.614 4.147 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000490595666 904125002 /nfs/dbraw/zinc/12/50/02/904125002.db2.gz URTCMNIRIRQYHF-UHFFFAOYSA-N 2 2 402.542 4.215 20 0 HIADLP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492210017 904815991 /nfs/dbraw/zinc/81/59/91/904815991.db2.gz MPASLYIJDHFROK-UHFFFAOYSA-N 2 2 418.545 4.024 20 0 HIADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000492225081 904818838 /nfs/dbraw/zinc/81/88/38/904818838.db2.gz OQKBUMOZPASHSE-QHCPKHFHSA-N 2 2 417.956 4.101 20 0 HIADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000493989278 905332148 /nfs/dbraw/zinc/33/21/48/905332148.db2.gz KMFBMOBPIGGWOD-GOTSBHOMSA-N 2 2 400.513 4.412 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494163558 905498533 /nfs/dbraw/zinc/49/85/33/905498533.db2.gz KKKZYOGWJFUDFB-CTNGQTDRSA-N 2 2 404.505 4.015 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000494163558 905498537 /nfs/dbraw/zinc/49/85/37/905498537.db2.gz KKKZYOGWJFUDFB-CTNGQTDRSA-N 2 2 404.505 4.015 20 0 HIADLP Clc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1Br ZINC000494296116 905617200 /nfs/dbraw/zinc/61/72/00/905617200.db2.gz QSZWMDDYIPIVAB-UHFFFAOYSA-N 2 2 409.755 4.225 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494482734 905766339 /nfs/dbraw/zinc/76/63/39/905766339.db2.gz LTJRJRNJJOQBCO-PGRDOPGGSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494482734 905766349 /nfs/dbraw/zinc/76/63/49/905766349.db2.gz LTJRJRNJJOQBCO-PGRDOPGGSA-N 2 2 406.505 4.408 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)cn2)cc1 ZINC000494596802 905855236 /nfs/dbraw/zinc/85/52/36/905855236.db2.gz NZYWCOHAQRVUHS-UHFFFAOYSA-N 2 2 411.431 4.426 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184258 906295208 /nfs/dbraw/zinc/29/52/08/906295208.db2.gz OOXUHXXYHPZDPX-NRJQMVOHSA-N 2 2 419.400 4.467 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000495184258 906295230 /nfs/dbraw/zinc/29/52/30/906295230.db2.gz OOXUHXXYHPZDPX-NRJQMVOHSA-N 2 2 419.400 4.467 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1C ZINC000497725579 907225588 /nfs/dbraw/zinc/22/55/88/907225588.db2.gz MVZZXSFPTQZVNO-UHFFFAOYSA-N 2 2 424.589 4.425 20 0 HIADLP COc1cccc([C@H]2CCC[NH+]2CC(O)C[N@H+]2CCC[C@@H]2c2cccc(OC)c2)c1 ZINC000497758087 907248792 /nfs/dbraw/zinc/24/87/92/907248792.db2.gz IWXNHCVXURJAFK-JWQCQUIFSA-N 2 2 410.558 4.039 20 0 HIADLP COc1cccc([C@H]2CCC[NH+]2CC(O)C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)c1 ZINC000497758087 907248812 /nfs/dbraw/zinc/24/88/12/907248812.db2.gz IWXNHCVXURJAFK-JWQCQUIFSA-N 2 2 410.558 4.039 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1cccc2cccc(Cl)c21 ZINC000498433787 907900500 /nfs/dbraw/zinc/90/05/00/907900500.db2.gz GAVKQWVLWXMWFW-UHFFFAOYSA-N 2 2 420.022 4.070 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1cccc2cccc(Cl)c21 ZINC000498433787 907900530 /nfs/dbraw/zinc/90/05/30/907900530.db2.gz GAVKQWVLWXMWFW-UHFFFAOYSA-N 2 2 420.022 4.070 20 0 HIADLP O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499026606 908402670 /nfs/dbraw/zinc/40/26/70/908402670.db2.gz UFKFRZYFUNWIEE-FQEVSTJZSA-N 2 2 401.601 4.073 20 0 HIADLP O=C(C[N@H+]1CCC[C@H]1c1ccsc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499026606 908402680 /nfs/dbraw/zinc/40/26/80/908402680.db2.gz UFKFRZYFUNWIEE-FQEVSTJZSA-N 2 2 401.601 4.073 20 0 HIADLP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1c1ccccc1F ZINC000499178353 908533640 /nfs/dbraw/zinc/53/36/40/908533640.db2.gz TYEVZVOYERRNHW-ADYITMSISA-N 2 2 407.533 4.106 20 0 HIADLP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCN1c1ccccc1F ZINC000499178353 908533647 /nfs/dbraw/zinc/53/36/47/908533647.db2.gz TYEVZVOYERRNHW-ADYITMSISA-N 2 2 407.533 4.106 20 0 HIADLP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000513040921 921500221 /nfs/dbraw/zinc/50/02/21/921500221.db2.gz IZTYIBOTZTVHKA-INIZCTEOSA-N 2 2 403.920 4.481 20 0 HIADLP Brc1cc2c(c(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c1)OCC2 ZINC000502337418 911317517 /nfs/dbraw/zinc/31/75/17/911317517.db2.gz YCRBSPFKXIBXMF-INIZCTEOSA-N 2 2 416.363 4.296 20 0 HIADLP Brc1cc2c(c(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c1)OCC2 ZINC000502337418 911317535 /nfs/dbraw/zinc/31/75/35/911317535.db2.gz YCRBSPFKXIBXMF-INIZCTEOSA-N 2 2 416.363 4.296 20 0 HIADLP CCC(CC)(CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000502923460 911908492 /nfs/dbraw/zinc/90/84/92/911908492.db2.gz CGJMJMJUCUIPFQ-FQEVSTJZSA-N 2 2 423.605 4.259 20 0 HIADLP C[C@@H]([NH2+]C1(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCC1)c1ccccc1 ZINC000502926821 911912621 /nfs/dbraw/zinc/91/26/21/911912621.db2.gz UPOUPXQHMNOYDM-HXUWFJFHSA-N 2 2 421.589 4.013 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503088722 912058000 /nfs/dbraw/zinc/05/80/00/912058000.db2.gz UUCWMCHAEWRNLO-DHLKQENFSA-N 2 2 416.569 4.038 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503088722 912058018 /nfs/dbraw/zinc/05/80/18/912058018.db2.gz UUCWMCHAEWRNLO-DHLKQENFSA-N 2 2 416.569 4.038 20 0 HIADLP O=C(NCc1ccccc1)[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000506277497 914878595 /nfs/dbraw/zinc/87/85/95/914878595.db2.gz PIYGNNYCHCCXIG-AREMUKBSSA-N 2 2 413.565 4.430 20 0 HIADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507198467 915947620 /nfs/dbraw/zinc/94/76/20/915947620.db2.gz WZOACPXSPWDQCM-WOJBJXKFSA-N 2 2 415.626 4.009 20 0 HIADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507198467 915947632 /nfs/dbraw/zinc/94/76/32/915947632.db2.gz WZOACPXSPWDQCM-WOJBJXKFSA-N 2 2 415.626 4.009 20 0 HIADLP O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507664644 916426382 /nfs/dbraw/zinc/42/63/82/916426382.db2.gz MWPOXSSXQBYHQA-JOCHJYFZSA-N 2 2 413.562 4.150 20 0 HIADLP O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507664644 916426394 /nfs/dbraw/zinc/42/63/94/916426394.db2.gz MWPOXSSXQBYHQA-JOCHJYFZSA-N 2 2 413.562 4.150 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000507892536 916745261 /nfs/dbraw/zinc/74/52/61/916745261.db2.gz HADMZIIYLBZZAK-IIYDPXPESA-N 2 2 414.859 4.465 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000507892536 916745286 /nfs/dbraw/zinc/74/52/86/916745286.db2.gz HADMZIIYLBZZAK-IIYDPXPESA-N 2 2 414.859 4.465 20 0 HIADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000508321529 917126129 /nfs/dbraw/zinc/12/61/29/917126129.db2.gz ZRFOCPWPOXRLDO-UHFFFAOYSA-N 2 2 423.605 4.103 20 0 HIADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000508321529 917126138 /nfs/dbraw/zinc/12/61/38/917126138.db2.gz ZRFOCPWPOXRLDO-UHFFFAOYSA-N 2 2 423.605 4.103 20 0 HIADLP CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000508678728 917441721 /nfs/dbraw/zinc/44/17/21/917441721.db2.gz OPCAPQAXFNZJSR-OAHLLOKOSA-N 2 2 422.367 4.045 20 0 HIADLP CCOc1c(Br)cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000508678728 917441727 /nfs/dbraw/zinc/44/17/27/917441727.db2.gz OPCAPQAXFNZJSR-OAHLLOKOSA-N 2 2 422.367 4.045 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000509037187 917791539 /nfs/dbraw/zinc/79/15/39/917791539.db2.gz CRVOVJOXVGASNH-IEBWSBKVSA-N 2 2 403.958 4.035 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000509037187 917791549 /nfs/dbraw/zinc/79/15/49/917791549.db2.gz CRVOVJOXVGASNH-IEBWSBKVSA-N 2 2 403.958 4.035 20 0 HIADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccco1 ZINC000509569493 918219966 /nfs/dbraw/zinc/21/99/66/918219966.db2.gz NEHFWKYBBSQKIO-HWLQVEPHSA-N 2 2 421.545 4.133 20 0 HIADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000509853998 918456065 /nfs/dbraw/zinc/45/60/65/918456065.db2.gz NEZPRRLIQXFNTL-SFTDATJTSA-N 2 2 418.626 4.128 20 0 HIADLP Cc1cccc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2cccc(F)c2)c1 ZINC000510683490 919123141 /nfs/dbraw/zinc/12/31/41/919123141.db2.gz GMECTHKSTGGWQM-RUZDIDTESA-N 2 2 404.533 4.160 20 0 HIADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510947250 919474529 /nfs/dbraw/zinc/47/45/29/919474529.db2.gz QIHQTIAVTZFGBR-WMZHIEFXSA-N 2 2 410.558 4.190 20 0 HIADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510947250 919474537 /nfs/dbraw/zinc/47/45/37/919474537.db2.gz QIHQTIAVTZFGBR-WMZHIEFXSA-N 2 2 410.558 4.190 20 0 HIADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510947252 919475696 /nfs/dbraw/zinc/47/56/96/919475696.db2.gz QIHQTIAVTZFGBR-XXBNENTESA-N 2 2 410.558 4.190 20 0 HIADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510947252 919475711 /nfs/dbraw/zinc/47/57/11/919475711.db2.gz QIHQTIAVTZFGBR-XXBNENTESA-N 2 2 410.558 4.190 20 0 HIADLP Cc1cc(Cl)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000511994576 920763046 /nfs/dbraw/zinc/76/30/46/920763046.db2.gz VNWGSEKKDMXQJA-YADHBBJMSA-N 2 2 406.014 4.366 20 0 HIADLP Cc1cc(Cl)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000511994576 920763062 /nfs/dbraw/zinc/76/30/62/920763062.db2.gz VNWGSEKKDMXQJA-YADHBBJMSA-N 2 2 406.014 4.366 20 0 HIADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)sc1Br ZINC000512004206 920773106 /nfs/dbraw/zinc/77/31/06/920773106.db2.gz COPDZOCFOXAORY-KXBFYZLASA-N 2 2 409.393 4.107 20 0 HIADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)sc1Br ZINC000512004206 920773116 /nfs/dbraw/zinc/77/31/16/920773116.db2.gz COPDZOCFOXAORY-KXBFYZLASA-N 2 2 409.393 4.107 20 0 HIADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000512023835 920800483 /nfs/dbraw/zinc/80/04/83/920800483.db2.gz LDCYNNKVSHRDQL-JKDFXYPNSA-N 2 2 403.876 4.148 20 0 HIADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000512023835 920800489 /nfs/dbraw/zinc/80/04/89/920800489.db2.gz LDCYNNKVSHRDQL-JKDFXYPNSA-N 2 2 403.876 4.148 20 0 HIADLP C[N@H+](Cc1ccccc1OCc1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512350084 921096237 /nfs/dbraw/zinc/09/62/37/921096237.db2.gz GWBIJIBAEKZRPS-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP C[N@@H+](Cc1ccccc1OCc1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512350084 921096251 /nfs/dbraw/zinc/09/62/51/921096251.db2.gz GWBIJIBAEKZRPS-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP Cn1ccnc1COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000513503266 921852440 /nfs/dbraw/zinc/85/24/40/921852440.db2.gz NVCVSHZSWSMFAT-UHFFFAOYSA-N 2 2 404.558 4.096 20 0 HIADLP Cn1ccnc1COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000513503266 921852442 /nfs/dbraw/zinc/85/24/42/921852442.db2.gz NVCVSHZSWSMFAT-UHFFFAOYSA-N 2 2 404.558 4.096 20 0 HIADLP COc1cc(Br)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1O ZINC000514693254 922759397 /nfs/dbraw/zinc/75/93/97/922759397.db2.gz MWYAIOLCAJFNLG-UHFFFAOYSA-N 2 2 408.340 4.052 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817779 922812349 /nfs/dbraw/zinc/81/23/49/922812349.db2.gz IRQPPSTVPITJDU-QZTJIDSGSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817779 922812352 /nfs/dbraw/zinc/81/23/52/922812352.db2.gz IRQPPSTVPITJDU-QZTJIDSGSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817779 922812357 /nfs/dbraw/zinc/81/23/57/922812357.db2.gz IRQPPSTVPITJDU-QZTJIDSGSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817779 922812367 /nfs/dbraw/zinc/81/23/67/922812367.db2.gz IRQPPSTVPITJDU-QZTJIDSGSA-N 2 2 420.022 4.169 20 0 HIADLP CCC[N@H+](C)CC(=O)NC[C@H](c1ccc(SC)cc1)[NH+]1CCc2sccc2C1 ZINC000518575760 927356499 /nfs/dbraw/zinc/35/64/99/927356499.db2.gz OTQCIFFWAMDGIF-HXUWFJFHSA-N 2 2 417.644 4.027 20 0 HIADLP CCC[N@@H+](C)CC(=O)NC[C@H](c1ccc(SC)cc1)[NH+]1CCc2sccc2C1 ZINC000518575760 927356510 /nfs/dbraw/zinc/35/65/10/927356510.db2.gz OTQCIFFWAMDGIF-HXUWFJFHSA-N 2 2 417.644 4.027 20 0 HIADLP CCC[NH+](C)CC(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000518575760 927356518 /nfs/dbraw/zinc/35/65/18/927356518.db2.gz OTQCIFFWAMDGIF-HXUWFJFHSA-N 2 2 417.644 4.027 20 0 HIADLP CCC[NH+](C)CC(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000518575760 927356527 /nfs/dbraw/zinc/35/65/27/927356527.db2.gz OTQCIFFWAMDGIF-HXUWFJFHSA-N 2 2 417.644 4.027 20 0 HIADLP Brc1cccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCOCC2)c1 ZINC000521059897 928966077 /nfs/dbraw/zinc/96/60/77/928966077.db2.gz NUWFHBUYWKXHIR-UHFFFAOYSA-N 2 2 412.331 4.430 20 0 HIADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000524635041 929745528 /nfs/dbraw/zinc/74/55/28/929745528.db2.gz ZLNUUXYCOZVAAJ-UXHICEINSA-N 2 2 424.589 4.331 20 0 HIADLP COc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc(OC)c1OCc1ccccc1 ZINC000525695462 930407199 /nfs/dbraw/zinc/40/71/99/930407199.db2.gz GSRSDOCFYOJSDI-OAQYLSRUSA-N 2 2 421.541 4.455 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000530372101 930696921 /nfs/dbraw/zinc/69/69/21/930696921.db2.gz HESVJLXHJVKIDL-AUUYWEPGSA-N 2 2 405.420 4.464 20 0 HIADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000530870406 930844148 /nfs/dbraw/zinc/84/41/48/930844148.db2.gz HICIMWRLAIUWRP-UHFFFAOYSA-N 2 2 417.981 4.293 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1Br ZINC000530952650 930866809 /nfs/dbraw/zinc/86/68/09/930866809.db2.gz YQRKUOLIEIGKFW-UHFFFAOYSA-N 3 2 408.428 4.077 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1Br ZINC000530952650 930866811 /nfs/dbraw/zinc/86/68/11/930866811.db2.gz YQRKUOLIEIGKFW-UHFFFAOYSA-N 3 2 408.428 4.077 20 0 HIADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000531905934 931243323 /nfs/dbraw/zinc/24/33/23/931243323.db2.gz ZMNYNFOEZZWAHU-HXUWFJFHSA-N 2 2 423.523 4.147 20 0 HIADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000531905934 931243330 /nfs/dbraw/zinc/24/33/30/931243330.db2.gz ZMNYNFOEZZWAHU-HXUWFJFHSA-N 2 2 423.523 4.147 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(I)cc1 ZINC000531941074 931254949 /nfs/dbraw/zinc/25/49/49/931254949.db2.gz JLMUSWSSIXOWBS-OAHLLOKOSA-N 2 2 417.294 4.387 20 0 HIADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000531940177 931255039 /nfs/dbraw/zinc/25/50/39/931255039.db2.gz ORGADIKZLFZOJV-SFHVURJKSA-N 2 2 410.949 4.112 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)cc1 ZINC000531945969 931257580 /nfs/dbraw/zinc/25/75/80/931257580.db2.gz MWMBDZZSRCRCQD-ZDUSSCGKSA-N 2 2 400.408 4.093 20 0 HIADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(F)cc1Br ZINC000531965883 931268291 /nfs/dbraw/zinc/26/82/91/931268291.db2.gz RCDCTZZCKAZMST-HRAATJIYSA-N 2 2 420.370 4.228 20 0 HIADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1Br ZINC000531965888 931268747 /nfs/dbraw/zinc/26/87/47/931268747.db2.gz RKZKSHNUMFFANM-DYESRHJHSA-N 2 2 402.380 4.088 20 0 HIADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000532105486 931313235 /nfs/dbraw/zinc/31/32/35/931313235.db2.gz CXQFWKJOUSLVNS-IBGZPJMESA-N 2 2 407.562 4.486 20 0 HIADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000532196200 931345462 /nfs/dbraw/zinc/34/54/62/931345462.db2.gz MLYPISJTFXJIDM-MRXNPFEDSA-N 2 2 416.447 4.457 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC000532586089 931542317 /nfs/dbraw/zinc/54/23/17/931542317.db2.gz UDGBYEBMNUELKC-HYBUGGRVSA-N 2 2 423.601 4.146 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC000532586089 931542331 /nfs/dbraw/zinc/54/23/31/931542331.db2.gz UDGBYEBMNUELKC-HYBUGGRVSA-N 2 2 423.601 4.146 20 0 HIADLP Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc(C)c1OC(F)F ZINC000532675166 931578604 /nfs/dbraw/zinc/57/86/04/931578604.db2.gz XXSFHQQPSKAJLS-UHFFFAOYSA-N 2 2 404.505 4.442 20 0 HIADLP Fc1cccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)n2)c1 ZINC000533046805 931751732 /nfs/dbraw/zinc/75/17/32/931751732.db2.gz CEZZJBWNGYTBHO-LJQANCHMSA-N 2 2 403.461 4.441 20 0 HIADLP Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)n2)c1 ZINC000533046805 931751736 /nfs/dbraw/zinc/75/17/36/931751736.db2.gz CEZZJBWNGYTBHO-LJQANCHMSA-N 2 2 403.461 4.441 20 0 HIADLP O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000533401714 931858759 /nfs/dbraw/zinc/85/87/59/931858759.db2.gz PJOSPCXXAQGZGR-QFIPXVFZSA-N 2 2 406.917 4.474 20 0 HIADLP CC[N@H+](Cc1nc2ccccc2n1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533387 931896011 /nfs/dbraw/zinc/89/60/11/931896011.db2.gz QVJGTHHFSGTATJ-UHFFFAOYSA-N 2 2 406.578 4.286 20 0 HIADLP CC[N@@H+](Cc1nc2ccccc2n1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533387 931896013 /nfs/dbraw/zinc/89/60/13/931896013.db2.gz QVJGTHHFSGTATJ-UHFFFAOYSA-N 2 2 406.578 4.286 20 0 HIADLP CN(C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648614 931944943 /nfs/dbraw/zinc/94/49/43/931944943.db2.gz LQRXERGWMWJCIC-WOJBJXKFSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648614 931944959 /nfs/dbraw/zinc/94/49/59/931944959.db2.gz LQRXERGWMWJCIC-WOJBJXKFSA-N 2 2 412.405 4.403 20 0 HIADLP Cc1cc(C)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534213724 932336114 /nfs/dbraw/zinc/33/61/14/932336114.db2.gz SZGKFQVRYATCHP-VXKWHMMOSA-N 2 2 400.611 4.413 20 0 HIADLP Cc1cc(C)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534213724 932336121 /nfs/dbraw/zinc/33/61/21/932336121.db2.gz SZGKFQVRYATCHP-VXKWHMMOSA-N 2 2 400.611 4.413 20 0 HIADLP Cc1ccc2c(CCC(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC000534357975 932392136 /nfs/dbraw/zinc/39/21/36/932392136.db2.gz DSKPWUFUFHAYDE-JWQCQUIFSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1ccc2c(CCC(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC000534357975 932392142 /nfs/dbraw/zinc/39/21/42/932392142.db2.gz DSKPWUFUFHAYDE-JWQCQUIFSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1ccc2c(CCC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC000534357976 932392359 /nfs/dbraw/zinc/39/23/59/932392359.db2.gz DSKPWUFUFHAYDE-LOSJGSFVSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1ccc2c(CCC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC000534357976 932392365 /nfs/dbraw/zinc/39/23/65/932392365.db2.gz DSKPWUFUFHAYDE-LOSJGSFVSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1nc(C(C)(C)C)sc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093781 932907586 /nfs/dbraw/zinc/90/75/86/932907586.db2.gz DXLYHCZDQZPTQN-RTBURBONSA-N 2 2 420.667 4.158 20 0 HIADLP Cc1nc(C(C)(C)C)sc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093781 932907593 /nfs/dbraw/zinc/90/75/93/932907593.db2.gz DXLYHCZDQZPTQN-RTBURBONSA-N 2 2 420.667 4.158 20 0 HIADLP C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535094642 932909075 /nfs/dbraw/zinc/90/90/75/932909075.db2.gz KJNAYCZEPJHDCK-CTUHWIOQSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535094642 932909091 /nfs/dbraw/zinc/90/90/91/932909091.db2.gz KJNAYCZEPJHDCK-CTUHWIOQSA-N 2 2 417.613 4.190 20 0 HIADLP CCSc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096027 932911607 /nfs/dbraw/zinc/91/16/07/932911607.db2.gz NIYPGFBKSFIRCZ-XZOQPEGZSA-N 2 2 417.663 4.137 20 0 HIADLP CCSc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096027 932911609 /nfs/dbraw/zinc/91/16/09/932911609.db2.gz NIYPGFBKSFIRCZ-XZOQPEGZSA-N 2 2 417.663 4.137 20 0 HIADLP CC(C)OCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535099594 932916222 /nfs/dbraw/zinc/91/62/22/932916222.db2.gz JRJPJWVJFUPWHI-DNQXCXABSA-N 2 2 415.622 4.021 20 0 HIADLP CC(C)OCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535099594 932916228 /nfs/dbraw/zinc/91/62/28/932916228.db2.gz JRJPJWVJFUPWHI-DNQXCXABSA-N 2 2 415.622 4.021 20 0 HIADLP CC(C)OCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535099599 932916383 /nfs/dbraw/zinc/91/63/83/932916383.db2.gz JRJPJWVJFUPWHI-ZEQRLZLVSA-N 2 2 415.622 4.021 20 0 HIADLP CC(C)OCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535099599 932916390 /nfs/dbraw/zinc/91/63/90/932916390.db2.gz JRJPJWVJFUPWHI-ZEQRLZLVSA-N 2 2 415.622 4.021 20 0 HIADLP CN(C(=O)N[C@@H](c1cccs1)C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535110449 932928316 /nfs/dbraw/zinc/92/83/16/932928316.db2.gz HZHININIEAJEKU-KCZVDYSFSA-N 2 2 418.651 4.178 20 0 HIADLP CN(C(=O)N[C@@H](c1cccs1)C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535110449 932928340 /nfs/dbraw/zinc/92/83/40/932928340.db2.gz HZHININIEAJEKU-KCZVDYSFSA-N 2 2 418.651 4.178 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000535115276 932932680 /nfs/dbraw/zinc/93/26/80/932932680.db2.gz FORKFZGQMXMUFJ-ZLGUVYLKSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000535115276 932932690 /nfs/dbraw/zinc/93/26/90/932932690.db2.gz FORKFZGQMXMUFJ-ZLGUVYLKSA-N 2 2 422.564 4.004 20 0 HIADLP CC[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000535119311 932937101 /nfs/dbraw/zinc/93/71/01/932937101.db2.gz AHBJHHHBYAXNBE-FGCOXFRFSA-N 2 2 414.638 4.159 20 0 HIADLP CC[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000535119311 932937112 /nfs/dbraw/zinc/93/71/12/932937112.db2.gz AHBJHHHBYAXNBE-FGCOXFRFSA-N 2 2 414.638 4.159 20 0 HIADLP C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535203546 933011902 /nfs/dbraw/zinc/01/19/02/933011902.db2.gz XOZZUFKVDDUFPS-SXSPYAJSSA-N 2 2 420.041 4.314 20 0 HIADLP C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535203546 933011908 /nfs/dbraw/zinc/01/19/08/933011908.db2.gz XOZZUFKVDDUFPS-SXSPYAJSSA-N 2 2 420.041 4.314 20 0 HIADLP CN(C(=O)CCCc1cc(F)ccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535635986 933278334 /nfs/dbraw/zinc/27/83/34/933278334.db2.gz GXXMXAQZSBUTCI-DHIUTWEWSA-N 2 2 421.576 4.083 20 0 HIADLP CN(C(=O)CCCc1cc(F)ccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535635986 933278341 /nfs/dbraw/zinc/27/83/41/933278341.db2.gz GXXMXAQZSBUTCI-DHIUTWEWSA-N 2 2 421.576 4.083 20 0 HIADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(Cl)c(F)c1 ZINC000535676375 933326382 /nfs/dbraw/zinc/32/63/82/933326382.db2.gz QJJOANMUFXPZFB-UHFFFAOYSA-N 2 2 421.969 4.098 20 0 HIADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(Cl)c(F)c1 ZINC000535676375 933326396 /nfs/dbraw/zinc/32/63/96/933326396.db2.gz QJJOANMUFXPZFB-UHFFFAOYSA-N 2 2 421.969 4.098 20 0 HIADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3csc(COc4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000535825462 933417893 /nfs/dbraw/zinc/41/78/93/933417893.db2.gz WRRKPVSXYFKQEQ-KDURUIRLSA-N 2 2 415.603 4.043 20 0 HIADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3csc(COc4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000535825462 933417898 /nfs/dbraw/zinc/41/78/98/933417898.db2.gz WRRKPVSXYFKQEQ-KDURUIRLSA-N 2 2 415.603 4.043 20 0 HIADLP Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849838 933431813 /nfs/dbraw/zinc/43/18/13/933431813.db2.gz USNCILDOMAYSKB-BJKOFHAPSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849838 933431819 /nfs/dbraw/zinc/43/18/19/933431819.db2.gz USNCILDOMAYSKB-BJKOFHAPSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849839 933432955 /nfs/dbraw/zinc/43/29/55/933432955.db2.gz USNCILDOMAYSKB-DNQXCXABSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849839 933432958 /nfs/dbraw/zinc/43/29/58/933432958.db2.gz USNCILDOMAYSKB-DNQXCXABSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1c2cccc(C)c2oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850965 933433875 /nfs/dbraw/zinc/43/38/75/933433875.db2.gz YETZNCMUJKDUCY-FGZHOGPDSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1c2cccc(C)c2oc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850965 933433880 /nfs/dbraw/zinc/43/38/80/933433880.db2.gz YETZNCMUJKDUCY-FGZHOGPDSA-N 2 2 411.590 4.459 20 0 HIADLP CN(C(=O)C/C=C\c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851450 933434534 /nfs/dbraw/zinc/43/45/34/933434534.db2.gz AFAADWMHXRNPQP-ZHKLZULHSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)C/C=C\c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851450 933434542 /nfs/dbraw/zinc/43/45/42/933434542.db2.gz AFAADWMHXRNPQP-ZHKLZULHSA-N 2 2 401.570 4.025 20 0 HIADLP Cc1ccc2c(CC(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)coc2c1 ZINC000535853690 933436761 /nfs/dbraw/zinc/43/67/61/933436761.db2.gz DBNMLAIIMSIFAC-GOTSBHOMSA-N 2 2 411.590 4.079 20 0 HIADLP Cc1ccc2c(CC(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)coc2c1 ZINC000535853690 933436768 /nfs/dbraw/zinc/43/67/68/933436768.db2.gz DBNMLAIIMSIFAC-GOTSBHOMSA-N 2 2 411.590 4.079 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ncc(Br)s1 ZINC000535987402 933547899 /nfs/dbraw/zinc/54/78/99/933547899.db2.gz NFGQSKLABIDHRJ-QLFBSQMISA-N 2 2 424.408 4.366 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ncc(Br)s1 ZINC000535987402 933547912 /nfs/dbraw/zinc/54/79/12/933547912.db2.gz NFGQSKLABIDHRJ-QLFBSQMISA-N 2 2 424.408 4.366 20 0 HIADLP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000536081641 933631366 /nfs/dbraw/zinc/63/13/66/933631366.db2.gz ANHXPNJCTVNUBL-UHFFFAOYSA-N 2 2 407.562 4.186 20 0 HIADLP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000536081641 933631374 /nfs/dbraw/zinc/63/13/74/933631374.db2.gz ANHXPNJCTVNUBL-UHFFFAOYSA-N 2 2 407.562 4.186 20 0 HIADLP CC1CC[NH+](CCCCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000536081365 933631409 /nfs/dbraw/zinc/63/14/09/933631409.db2.gz LZWGVAAIHGXPJE-UHFFFAOYSA-N 2 2 407.562 4.235 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000537617201 938335020 /nfs/dbraw/zinc/33/50/20/938335020.db2.gz VSDWOEOUATYZDZ-AUUYWEPGSA-N 2 2 405.384 4.166 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000537617201 938335022 /nfs/dbraw/zinc/33/50/22/938335022.db2.gz VSDWOEOUATYZDZ-AUUYWEPGSA-N 2 2 405.384 4.166 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000537617201 938335025 /nfs/dbraw/zinc/33/50/25/938335025.db2.gz VSDWOEOUATYZDZ-AUUYWEPGSA-N 2 2 405.384 4.166 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000537617201 938335026 /nfs/dbraw/zinc/33/50/26/938335026.db2.gz VSDWOEOUATYZDZ-AUUYWEPGSA-N 2 2 405.384 4.166 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccnc2OC2CCCC2)CC1 ZINC000537746518 938368278 /nfs/dbraw/zinc/36/82/78/938368278.db2.gz HDOQZDPJHSRVRU-UHFFFAOYSA-N 2 2 414.981 4.098 20 0 HIADLP CC(C)(C)C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000538179105 938540004 /nfs/dbraw/zinc/54/00/04/938540004.db2.gz KHWLTEJBMYYIQB-HSZRJFAPSA-N 2 2 409.574 4.224 20 0 HIADLP CN(C(=O)Nc1cc(F)cc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538353292 938601200 /nfs/dbraw/zinc/60/12/00/938601200.db2.gz AEYDEILQGRFWDA-VQTJNVASSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cc(F)cc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538353292 938601205 /nfs/dbraw/zinc/60/12/05/938601205.db2.gz AEYDEILQGRFWDA-VQTJNVASSA-N 2 2 410.965 4.280 20 0 HIADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)ccc1F ZINC000538400863 938611668 /nfs/dbraw/zinc/61/16/68/938611668.db2.gz MBKYHCWWAMDYOJ-UHFFFAOYSA-N 2 2 408.308 4.065 20 0 HIADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000538418820 938616414 /nfs/dbraw/zinc/61/64/14/938616414.db2.gz VEGOPPWSPBTSPI-KXBFYZLASA-N 2 2 410.436 4.258 20 0 HIADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000538418820 938616417 /nfs/dbraw/zinc/61/64/17/938616417.db2.gz VEGOPPWSPBTSPI-KXBFYZLASA-N 2 2 410.436 4.258 20 0 HIADLP O=C1[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538468050 938628829 /nfs/dbraw/zinc/62/88/29/938628829.db2.gz RULASWFDRQQHPS-PZJWPPBQSA-N 2 2 423.523 4.004 20 0 HIADLP O=C1[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538468050 938628832 /nfs/dbraw/zinc/62/88/32/938628832.db2.gz RULASWFDRQQHPS-PZJWPPBQSA-N 2 2 423.523 4.004 20 0 HIADLP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538502878 938637072 /nfs/dbraw/zinc/63/70/72/938637072.db2.gz OONNVZFRHHJEGQ-GMAHTHKFSA-N 2 2 415.940 4.005 20 0 HIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1Br ZINC000538557310 938648431 /nfs/dbraw/zinc/64/84/31/938648431.db2.gz JRYJAFHWGVLGCJ-BBRMVZONSA-N 2 2 407.331 4.297 20 0 HIADLP COc1cc(OC)c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1Cl ZINC000538587790 938656076 /nfs/dbraw/zinc/65/60/76/938656076.db2.gz JDRZAZDPBLJOLV-HNNXBMFYSA-N 2 2 418.969 4.456 20 0 HIADLP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720368 938690175 /nfs/dbraw/zinc/69/01/75/938690175.db2.gz VUBLNRDFLXNOGJ-JSGCOSHPSA-N 2 2 421.326 4.364 20 0 HIADLP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720368 938690176 /nfs/dbraw/zinc/69/01/76/938690176.db2.gz VUBLNRDFLXNOGJ-JSGCOSHPSA-N 2 2 421.326 4.364 20 0 HIADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720368 938690178 /nfs/dbraw/zinc/69/01/78/938690178.db2.gz VUBLNRDFLXNOGJ-JSGCOSHPSA-N 2 2 421.326 4.364 20 0 HIADLP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720368 938690179 /nfs/dbraw/zinc/69/01/79/938690179.db2.gz VUBLNRDFLXNOGJ-JSGCOSHPSA-N 2 2 421.326 4.364 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000539046357 938782048 /nfs/dbraw/zinc/78/20/48/938782048.db2.gz KIDKZGGYXOSYOH-NBGIEHNGSA-N 2 2 414.553 4.334 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000539046357 938782049 /nfs/dbraw/zinc/78/20/49/938782049.db2.gz KIDKZGGYXOSYOH-NBGIEHNGSA-N 2 2 414.553 4.334 20 0 HIADLP OC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000539055122 938785568 /nfs/dbraw/zinc/78/55/68/938785568.db2.gz PYIXFAJJTKMJTL-NRFANRHFSA-N 2 2 410.455 4.175 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000539085286 938799468 /nfs/dbraw/zinc/79/94/68/938799468.db2.gz WKXRXXZCZLBQGC-NQIIRXRSSA-N 2 2 407.587 4.033 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000539085286 938799469 /nfs/dbraw/zinc/79/94/69/938799469.db2.gz WKXRXXZCZLBQGC-NQIIRXRSSA-N 2 2 407.587 4.033 20 0 HIADLP Cc1cc2cccnc2c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539428774 938859484 /nfs/dbraw/zinc/85/94/84/938859484.db2.gz JPDLGYKTGWTKSE-XZOQPEGZSA-N 2 2 423.605 4.344 20 0 HIADLP Cc1cc2cccnc2c(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539428774 938859485 /nfs/dbraw/zinc/85/94/85/938859485.db2.gz JPDLGYKTGWTKSE-XZOQPEGZSA-N 2 2 423.605 4.344 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4ccc(OC(F)(F)F)cc43)[nH+]c2)C1 ZINC000539661611 938896405 /nfs/dbraw/zinc/89/64/05/938896405.db2.gz YYSVQQMSAACUHJ-APWZRJJASA-N 2 2 406.452 4.220 20 0 HIADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCCn2cc[nH+]c2)c2ccc(Cl)cc2)c1 ZINC000539809393 938939190 /nfs/dbraw/zinc/93/91/90/938939190.db2.gz NDIURIWHWJBHHM-NRFANRHFSA-N 2 2 417.962 4.099 20 0 HIADLP CC[C@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539889111 938967147 /nfs/dbraw/zinc/96/71/47/938967147.db2.gz UFDBJRJXWCIJPK-FGZHOGPDSA-N 2 2 414.981 4.071 20 0 HIADLP CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539889111 938967148 /nfs/dbraw/zinc/96/71/48/938967148.db2.gz UFDBJRJXWCIJPK-FGZHOGPDSA-N 2 2 414.981 4.071 20 0 HIADLP CC1CC[NH+](Cc2cccc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)c2)CC1 ZINC000539932491 938979080 /nfs/dbraw/zinc/97/90/80/938979080.db2.gz QYHADCVKTFJFQD-UHFFFAOYSA-N 2 2 402.542 4.093 20 0 HIADLP CC(C)[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000540261367 939176105 /nfs/dbraw/zinc/17/61/05/939176105.db2.gz ZXPRUMVBQJJRHH-QHCPKHFHSA-N 2 2 408.546 4.032 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000540597119 939315437 /nfs/dbraw/zinc/31/54/37/939315437.db2.gz JGMXURBGSWSLNY-INIZCTEOSA-N 2 2 411.933 4.325 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cc4cccc(OC)c4o3)cc2)CC1 ZINC000540598423 939315728 /nfs/dbraw/zinc/31/57/28/939315728.db2.gz JGMZFYAIOQYECO-IBGZPJMESA-N 2 2 407.558 4.430 20 0 HIADLP CCc1ccc([C@H]([NH2+]CCCCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000540908339 939415432 /nfs/dbraw/zinc/41/54/32/939415432.db2.gz LBBHHZWBHXBGPL-QHCPKHFHSA-N 2 2 411.571 4.008 20 0 HIADLP Cn1cccc1[C@@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@H]2c2cccn2C)COC1 ZINC000541073167 939450746 /nfs/dbraw/zinc/45/07/46/939450746.db2.gz ZRLORXPSSNOMMT-ZEQRLZLVSA-N 2 2 410.606 4.134 20 0 HIADLP Cn1cccc1[C@@H]1CCCC[NH+]1CC1(C[N@@H+]2CCCC[C@H]2c2cccn2C)COC1 ZINC000541073167 939450751 /nfs/dbraw/zinc/45/07/51/939450751.db2.gz ZRLORXPSSNOMMT-ZEQRLZLVSA-N 2 2 410.606 4.134 20 0 HIADLP Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)c2)cs1 ZINC000541202860 939485404 /nfs/dbraw/zinc/48/54/04/939485404.db2.gz OBMXIKXTWXMALC-UHFFFAOYSA-N 2 2 423.586 4.446 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1C ZINC000541244906 939487304 /nfs/dbraw/zinc/48/73/04/939487304.db2.gz CPENPTOJRKYQMZ-NHCUHLMSSA-N 2 2 406.014 4.366 20 0 HIADLP Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1C ZINC000541244906 939487305 /nfs/dbraw/zinc/48/73/05/939487305.db2.gz CPENPTOJRKYQMZ-NHCUHLMSSA-N 2 2 406.014 4.366 20 0 HIADLP CCc1ccc([C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000541406708 939507746 /nfs/dbraw/zinc/50/77/46/939507746.db2.gz PBFSHVHMLZYSEN-LADGPHEKSA-N 2 2 422.617 4.475 20 0 HIADLP C[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599542 939563743 /nfs/dbraw/zinc/56/37/43/939563743.db2.gz JLABKKYYAGKYIK-HUUCEWRRSA-N 2 2 419.418 4.010 20 0 HIADLP C[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599542 939563746 /nfs/dbraw/zinc/56/37/46/939563746.db2.gz JLABKKYYAGKYIK-HUUCEWRRSA-N 2 2 419.418 4.010 20 0 HIADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542112326 939718788 /nfs/dbraw/zinc/71/87/88/939718788.db2.gz XPTZKVIQCSYIQA-UHFFFAOYSA-N 2 2 411.594 4.125 20 0 HIADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542112326 939718798 /nfs/dbraw/zinc/71/87/98/939718798.db2.gz XPTZKVIQCSYIQA-UHFFFAOYSA-N 2 2 411.594 4.125 20 0 HIADLP CCC[N@H+](Cc1ncc(Br)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000542166822 939741430 /nfs/dbraw/zinc/74/14/30/939741430.db2.gz CWBYTGZPENZRKA-UHFFFAOYSA-N 2 2 424.412 4.193 20 0 HIADLP CCC[N@@H+](Cc1ncc(Br)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000542166822 939741440 /nfs/dbraw/zinc/74/14/40/939741440.db2.gz CWBYTGZPENZRKA-UHFFFAOYSA-N 2 2 424.412 4.193 20 0 HIADLP COc1ccc(Cl)cc1C1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCOCC1 ZINC000542315869 939797828 /nfs/dbraw/zinc/79/78/28/939797828.db2.gz MNZKVBMODIWEIZ-UHFFFAOYSA-N 2 2 417.962 4.434 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)c2)cc[nH+]1 ZINC000542653497 939851736 /nfs/dbraw/zinc/85/17/36/939851736.db2.gz AEOUSUGPUNSETN-UHFFFAOYSA-N 2 2 417.557 4.167 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)c2)cc[nH+]1 ZINC000542653497 939851737 /nfs/dbraw/zinc/85/17/37/939851737.db2.gz AEOUSUGPUNSETN-UHFFFAOYSA-N 2 2 417.557 4.167 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)co2)cc1 ZINC000542969626 939888522 /nfs/dbraw/zinc/88/85/22/939888522.db2.gz XPOQAZLQSXBPBZ-MRXNPFEDSA-N 2 2 416.481 4.473 20 0 HIADLP C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543767533 940180361 /nfs/dbraw/zinc/18/03/61/940180361.db2.gz KNAPAMNSBYSJBB-RBUKOAKNSA-N 2 2 419.573 4.376 20 0 HIADLP C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543767533 940180365 /nfs/dbraw/zinc/18/03/65/940180365.db2.gz KNAPAMNSBYSJBB-RBUKOAKNSA-N 2 2 419.573 4.376 20 0 HIADLP COc1ccc([C@@H](C)[NH2+]CC2(C[NH2+][C@@H](C)c3ccc(OC)c(F)c3)COC2)cc1F ZINC000543904277 940235129 /nfs/dbraw/zinc/23/51/29/940235129.db2.gz KPHPXWWHYLPKNJ-IYBDPMFKSA-N 2 2 420.500 4.000 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543987777 940284133 /nfs/dbraw/zinc/28/41/33/940284133.db2.gz INFUPFXDJIZPDD-QUCCMNQESA-N 2 2 400.592 4.189 20 0 HIADLP CN(C(=O)c1ccc(SC2CC2)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544031961 940305364 /nfs/dbraw/zinc/30/53/64/940305364.db2.gz OHRVBXVJOAZMAW-GOTSBHOMSA-N 2 2 415.647 4.350 20 0 HIADLP CN(C(=O)c1ccc(SC2CC2)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544031961 940305365 /nfs/dbraw/zinc/30/53/65/940305365.db2.gz OHRVBXVJOAZMAW-GOTSBHOMSA-N 2 2 415.647 4.350 20 0 HIADLP CC1CCC([NH+]2CCN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)CC2)CC1 ZINC000544225711 940360132 /nfs/dbraw/zinc/36/01/32/940360132.db2.gz ZCXBOONDOYHCDX-IRQNMHNUSA-N 2 2 412.622 4.216 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)cc1 ZINC000544424830 940423051 /nfs/dbraw/zinc/42/30/51/940423051.db2.gz LIWCDHZBHGKKAQ-QFBILLFUSA-N 2 2 413.587 4.339 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)cc1 ZINC000544424830 940423054 /nfs/dbraw/zinc/42/30/54/940423054.db2.gz LIWCDHZBHGKKAQ-QFBILLFUSA-N 2 2 413.587 4.339 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)cc1 ZINC000544424832 940423352 /nfs/dbraw/zinc/42/33/52/940423352.db2.gz LIWCDHZBHGKKAQ-VQIMIIECSA-N 2 2 413.587 4.339 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)cc1 ZINC000544424832 940423357 /nfs/dbraw/zinc/42/33/57/940423357.db2.gz LIWCDHZBHGKKAQ-VQIMIIECSA-N 2 2 413.587 4.339 20 0 HIADLP C[C@H]([NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000545157708 940552200 /nfs/dbraw/zinc/55/22/00/940552200.db2.gz LZOBMAOUHSMWRB-GAJHUEQPSA-N 2 2 412.965 4.454 20 0 HIADLP CN(C(=O)c1scnc1C1CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545344288 940563518 /nfs/dbraw/zinc/56/35/18/940563518.db2.gz ZMRIGUVNWMJQNJ-WOJBJXKFSA-N 2 2 418.651 4.210 20 0 HIADLP CN(C(=O)c1scnc1C1CCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545344288 940563519 /nfs/dbraw/zinc/56/35/19/940563519.db2.gz ZMRIGUVNWMJQNJ-WOJBJXKFSA-N 2 2 418.651 4.210 20 0 HIADLP CN(C(=O)c1scnc1C1CCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545344287 940563628 /nfs/dbraw/zinc/56/36/28/940563628.db2.gz ZMRIGUVNWMJQNJ-VQTJNVASSA-N 2 2 418.651 4.210 20 0 HIADLP CN(C(=O)c1scnc1C1CCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545344287 940563629 /nfs/dbraw/zinc/56/36/29/940563629.db2.gz ZMRIGUVNWMJQNJ-VQTJNVASSA-N 2 2 418.651 4.210 20 0 HIADLP Cc1cc(C)n(-c2ccc(C[NH2+]Cc3c[nH+]ccc3N(C)C)c(C(F)(F)F)c2)n1 ZINC000545368960 940566257 /nfs/dbraw/zinc/56/62/57/940566257.db2.gz OYJYQCWPMIQKBU-UHFFFAOYSA-N 2 2 403.452 4.259 20 0 HIADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)c1O ZINC000545465912 940571129 /nfs/dbraw/zinc/57/11/29/940571129.db2.gz XKPRTQIPHTYDDS-QAPCUYQASA-N 2 2 419.363 4.164 20 0 HIADLP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)c1O ZINC000545465912 940571130 /nfs/dbraw/zinc/57/11/30/940571130.db2.gz XKPRTQIPHTYDDS-QAPCUYQASA-N 2 2 419.363 4.164 20 0 HIADLP C[C@H]([NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000545866977 940643922 /nfs/dbraw/zinc/64/39/22/940643922.db2.gz IXQGZGIWHCWGCJ-SBUREZEXSA-N 2 2 412.965 4.454 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)CC1 ZINC000546619748 940861428 /nfs/dbraw/zinc/86/14/28/940861428.db2.gz PEGURGXGQKDNQG-UHFFFAOYSA-N 2 2 422.569 4.186 20 0 HIADLP CN(C(=O)c1coc(C2CCCCC2)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000547945451 941080073 /nfs/dbraw/zinc/08/00/73/941080073.db2.gz TVVHVUKSNUBEHW-FGZHOGPDSA-N 2 2 416.610 4.132 20 0 HIADLP CN(C(=O)c1coc(C2CCCCC2)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000547945451 941080074 /nfs/dbraw/zinc/08/00/74/941080074.db2.gz TVVHVUKSNUBEHW-FGZHOGPDSA-N 2 2 416.610 4.132 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000549446487 941190817 /nfs/dbraw/zinc/19/08/17/941190817.db2.gz SUUJZZNNECMEFL-UGTOYMOASA-N 2 2 401.570 4.074 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000549446487 941190818 /nfs/dbraw/zinc/19/08/18/941190818.db2.gz SUUJZZNNECMEFL-UGTOYMOASA-N 2 2 401.570 4.074 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1=O ZINC000549446487 941190820 /nfs/dbraw/zinc/19/08/20/941190820.db2.gz SUUJZZNNECMEFL-UGTOYMOASA-N 2 2 401.570 4.074 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1=O ZINC000549446487 941190824 /nfs/dbraw/zinc/19/08/24/941190824.db2.gz SUUJZZNNECMEFL-UGTOYMOASA-N 2 2 401.570 4.074 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000549806875 941207975 /nfs/dbraw/zinc/20/79/75/941207975.db2.gz XZKAALFEKMOUHH-TXTKFYIRSA-N 2 2 401.570 4.076 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000549806875 941207976 /nfs/dbraw/zinc/20/79/76/941207976.db2.gz XZKAALFEKMOUHH-TXTKFYIRSA-N 2 2 401.570 4.076 20 0 HIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000550175435 941293628 /nfs/dbraw/zinc/29/36/28/941293628.db2.gz UJSSLVMAXPCVMY-SFTDATJTSA-N 2 2 416.569 4.339 20 0 HIADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551704587 941529849 /nfs/dbraw/zinc/52/98/49/941529849.db2.gz AURZEKIDZGCUAE-BJKOFHAPSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551704587 941529858 /nfs/dbraw/zinc/52/98/58/941529858.db2.gz AURZEKIDZGCUAE-BJKOFHAPSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551704587 941529861 /nfs/dbraw/zinc/52/98/61/941529861.db2.gz AURZEKIDZGCUAE-BJKOFHAPSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551704587 941529869 /nfs/dbraw/zinc/52/98/69/941529869.db2.gz AURZEKIDZGCUAE-BJKOFHAPSA-N 2 2 418.585 4.100 20 0 HIADLP COc1ccc([C@H](Cc2ccncc2)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000552067140 941578319 /nfs/dbraw/zinc/57/83/19/941578319.db2.gz AAAHYABIYQFZJM-UPVQGACJSA-N 2 2 417.557 4.021 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553143239 941840021 /nfs/dbraw/zinc/84/00/21/941840021.db2.gz DFLLRTJGWWBSOH-NZQKXSOJSA-N 2 2 402.542 4.055 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553143239 941840023 /nfs/dbraw/zinc/84/00/23/941840023.db2.gz DFLLRTJGWWBSOH-NZQKXSOJSA-N 2 2 402.542 4.055 20 0 HIADLP Cc1ccc2cccc(NC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000553614980 941921324 /nfs/dbraw/zinc/92/13/24/941921324.db2.gz DCUIWWKIWIWZBL-XZOQPEGZSA-N 2 2 423.605 4.344 20 0 HIADLP Cc1ccc2cccc(NC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000553614980 941921327 /nfs/dbraw/zinc/92/13/27/941921327.db2.gz DCUIWWKIWIWZBL-XZOQPEGZSA-N 2 2 423.605 4.344 20 0 HIADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(Br)c1 ZINC000553737361 941955434 /nfs/dbraw/zinc/95/54/34/941955434.db2.gz BQSJJPNCZTYUSV-MRXNPFEDSA-N 2 2 419.363 4.141 20 0 HIADLP CCc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+](CC)CC)cc1 ZINC000554452709 942149265 /nfs/dbraw/zinc/14/92/65/942149265.db2.gz FRBOREVAOWNXKT-REWPJTCUSA-N 2 2 410.606 4.400 20 0 HIADLP CCc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+](CC)CC)cc1 ZINC000554452709 942149267 /nfs/dbraw/zinc/14/92/67/942149267.db2.gz FRBOREVAOWNXKT-REWPJTCUSA-N 2 2 410.606 4.400 20 0 HIADLP CCCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OCC ZINC000554889091 942308681 /nfs/dbraw/zinc/30/86/81/942308681.db2.gz FZVPSNLSPAHGKH-CRAIPNDOSA-N 2 2 413.400 4.409 20 0 HIADLP CCCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OCC ZINC000554889091 942308693 /nfs/dbraw/zinc/30/86/93/942308693.db2.gz FZVPSNLSPAHGKH-CRAIPNDOSA-N 2 2 413.400 4.409 20 0 HIADLP CCCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OCC ZINC000554889091 942308699 /nfs/dbraw/zinc/30/86/99/942308699.db2.gz FZVPSNLSPAHGKH-CRAIPNDOSA-N 2 2 413.400 4.409 20 0 HIADLP CCCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OCC ZINC000554889091 942308707 /nfs/dbraw/zinc/30/87/07/942308707.db2.gz FZVPSNLSPAHGKH-CRAIPNDOSA-N 2 2 413.400 4.409 20 0 HIADLP C[C@H]([NH2+][C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000556241192 942825245 /nfs/dbraw/zinc/82/52/45/942825245.db2.gz QVGOZMAHYQEPQR-IUKKYPGJSA-N 2 2 406.505 4.414 20 0 HIADLP CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)ccc21 ZINC000556374176 942851411 /nfs/dbraw/zinc/85/14/11/942851411.db2.gz YSOLNISORKQBCR-UHFFFAOYSA-N 2 2 415.541 4.480 20 0 HIADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000556601672 942910917 /nfs/dbraw/zinc/91/09/17/942910917.db2.gz RSGLILFVYBAIGT-IBGZPJMESA-N 2 2 405.011 4.065 20 0 HIADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000556601672 942910928 /nfs/dbraw/zinc/91/09/28/942910928.db2.gz RSGLILFVYBAIGT-IBGZPJMESA-N 2 2 405.011 4.065 20 0 HIADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000556925027 942968035 /nfs/dbraw/zinc/96/80/35/942968035.db2.gz XJCXUJUVSGQLIX-LQCXBHPOSA-N 2 2 411.615 4.014 20 0 HIADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000556925027 942968039 /nfs/dbraw/zinc/96/80/39/942968039.db2.gz XJCXUJUVSGQLIX-LQCXBHPOSA-N 2 2 411.615 4.014 20 0 HIADLP Brc1cccc2c1C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CC2 ZINC000559244704 943885214 /nfs/dbraw/zinc/88/52/14/943885214.db2.gz UBLQLXBWCOXXBL-LJQANCHMSA-N 2 2 410.359 4.384 20 0 HIADLP Fc1ccc([C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)c2cnn[nH]2)cc1 ZINC000559896261 944079204 /nfs/dbraw/zinc/07/92/04/944079204.db2.gz XPMCTUWBSPVVAI-RUZDIDTESA-N 2 2 421.564 4.358 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561155229 944485620 /nfs/dbraw/zinc/48/56/20/944485620.db2.gz GUQODTSWVOJLDT-YKSBVNFPSA-N 2 2 416.569 4.480 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561155229 944485632 /nfs/dbraw/zinc/48/56/32/944485632.db2.gz GUQODTSWVOJLDT-YKSBVNFPSA-N 2 2 416.569 4.480 20 0 HIADLP CC[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(F)cc1F ZINC000561159540 944488660 /nfs/dbraw/zinc/48/86/60/944488660.db2.gz DCUXIEFEBAHNBN-OAQYLSRUSA-N 2 2 419.541 4.193 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC000562061420 944917652 /nfs/dbraw/zinc/91/76/52/944917652.db2.gz MCEOSROYHMXWGU-XWGVYQGASA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC000562061420 944917662 /nfs/dbraw/zinc/91/76/62/944917662.db2.gz MCEOSROYHMXWGU-XWGVYQGASA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC000562061420 944917673 /nfs/dbraw/zinc/91/76/73/944917673.db2.gz MCEOSROYHMXWGU-XWGVYQGASA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC000562061420 944917685 /nfs/dbraw/zinc/91/76/85/944917685.db2.gz MCEOSROYHMXWGU-XWGVYQGASA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c2nccc(C)c2c1 ZINC000564672781 945723355 /nfs/dbraw/zinc/72/33/55/945723355.db2.gz DJKKTCUFTDHRSX-RPWUZVMVSA-N 2 2 422.617 4.261 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2nccc(C)c2c1 ZINC000564672781 945723363 /nfs/dbraw/zinc/72/33/63/945723363.db2.gz DJKKTCUFTDHRSX-RPWUZVMVSA-N 2 2 422.617 4.261 20 0 HIADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccco1 ZINC000564678464 945725464 /nfs/dbraw/zinc/72/54/64/945725464.db2.gz BMEZKXZRNIZRGN-CUWPLCDZSA-N 2 2 412.578 4.332 20 0 HIADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[C@H](C)O1 ZINC000564733119 945742656 /nfs/dbraw/zinc/74/26/56/945742656.db2.gz LVGNPRMYOFYJAZ-HOTGVXAUSA-N 2 2 401.378 4.084 20 0 HIADLP FC(F)(F)Cc1noc(-c2cccc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)c2)n1 ZINC000564759870 945751900 /nfs/dbraw/zinc/75/19/00/945751900.db2.gz IKDZABKNVHHYOH-UHFFFAOYSA-N 2 2 419.432 4.378 20 0 HIADLP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000567189627 946265211 /nfs/dbraw/zinc/26/52/11/946265211.db2.gz MJLXKHZXCYAMFY-NHCUHLMSSA-N 2 2 416.610 4.026 20 0 HIADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474078 946344630 /nfs/dbraw/zinc/34/46/30/946344630.db2.gz BJTLXQUTHPBQCD-FPOVZHCZSA-N 2 2 410.389 4.075 20 0 HIADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474078 946344645 /nfs/dbraw/zinc/34/46/45/946344645.db2.gz BJTLXQUTHPBQCD-FPOVZHCZSA-N 2 2 410.389 4.075 20 0 HIADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474078 946344660 /nfs/dbraw/zinc/34/46/60/946344660.db2.gz BJTLXQUTHPBQCD-FPOVZHCZSA-N 2 2 410.389 4.075 20 0 HIADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000567474078 946344671 /nfs/dbraw/zinc/34/46/71/946344671.db2.gz BJTLXQUTHPBQCD-FPOVZHCZSA-N 2 2 410.389 4.075 20 0 HIADLP CC(C)[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(Cl)cc1F ZINC000569880009 947030126 /nfs/dbraw/zinc/03/01/26/947030126.db2.gz PIHYLGARGIPCBK-LJQANCHMSA-N 2 2 424.973 4.457 20 0 HIADLP CC1CC[NH+](Cc2ccccc2CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000570543851 947285143 /nfs/dbraw/zinc/28/51/43/947285143.db2.gz BCULMLPXGBVRNS-UHFFFAOYSA-N 2 2 417.557 4.104 20 0 HIADLP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(Br)c1 ZINC000571447605 947653647 /nfs/dbraw/zinc/65/36/47/947653647.db2.gz FWPIDQAOGJGANX-UHFFFAOYSA-N 2 2 404.352 4.370 20 0 HIADLP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000571866995 947805749 /nfs/dbraw/zinc/80/57/49/947805749.db2.gz XGKYPTCHNNUSGF-XMMPIXPASA-N 2 2 409.549 4.167 20 0 HIADLP c1nc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n(-c2ccccc2)n1 ZINC000572144430 947850459 /nfs/dbraw/zinc/85/04/59/947850459.db2.gz QNPPEFBTIJZEOK-OEMFJLHTSA-N 2 2 401.558 4.048 20 0 HIADLP c1nc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n(-c2ccccc2)n1 ZINC000572144430 947850460 /nfs/dbraw/zinc/85/04/60/947850460.db2.gz QNPPEFBTIJZEOK-OEMFJLHTSA-N 2 2 401.558 4.048 20 0 HIADLP CN(C(=O)Nc1cccc2cccnc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000572665019 947973067 /nfs/dbraw/zinc/97/30/67/947973067.db2.gz BMADXICRZSGCHU-FCHUYYIVSA-N 2 2 409.578 4.036 20 0 HIADLP CN(C(=O)Nc1cccc2cccnc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000572665019 947973083 /nfs/dbraw/zinc/97/30/83/947973083.db2.gz BMADXICRZSGCHU-FCHUYYIVSA-N 2 2 409.578 4.036 20 0 HIADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)c2ccccc2)CC1 ZINC000573656200 948269766 /nfs/dbraw/zinc/26/97/66/948269766.db2.gz QKIZRNXAYAVJKN-QFIPXVFZSA-N 2 2 411.496 4.303 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000575030657 948578201 /nfs/dbraw/zinc/57/82/01/948578201.db2.gz PBXOKUWKEPZRLW-AWEZNQCLSA-N 2 2 410.319 4.442 20 0 HIADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164712605 720099884 /nfs/dbraw/zinc/09/98/84/720099884.db2.gz XHIMYWXDKDPSAN-QFIPXVFZSA-N 2 2 402.542 4.137 20 0 HIADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164712605 720099892 /nfs/dbraw/zinc/09/98/92/720099892.db2.gz XHIMYWXDKDPSAN-QFIPXVFZSA-N 2 2 402.542 4.137 20 0 HIADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001164835225 720590992 /nfs/dbraw/zinc/59/09/92/720590992.db2.gz AQIMCIDJQAEXJO-AOHZBQACSA-N 2 2 422.621 4.407 20 0 HIADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001164835225 720590995 /nfs/dbraw/zinc/59/09/95/720590995.db2.gz AQIMCIDJQAEXJO-AOHZBQACSA-N 2 2 422.621 4.407 20 0 HIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000041651949 848238175 /nfs/dbraw/zinc/23/81/75/848238175.db2.gz HPJBSGAKWICOQK-NWDGAFQWSA-N 2 2 402.174 4.347 20 0 HIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000041651949 848238183 /nfs/dbraw/zinc/23/81/83/848238183.db2.gz HPJBSGAKWICOQK-NWDGAFQWSA-N 2 2 402.174 4.347 20 0 HIADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000048535265 849239394 /nfs/dbraw/zinc/23/93/94/849239394.db2.gz VAJAJBWLJNBHPP-FQEVSTJZSA-N 2 2 417.557 4.034 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)CC2)CC1 ZINC000051760656 849513308 /nfs/dbraw/zinc/51/33/08/849513308.db2.gz IQGOTHLDKAPZNE-JOCHJYFZSA-N 2 2 418.601 4.161 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1C ZINC000058635182 850874317 /nfs/dbraw/zinc/87/43/17/850874317.db2.gz WUWYCSAGEIMTJK-UHFFFAOYSA-N 2 2 410.562 4.399 20 0 HIADLP CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)CC1 ZINC000059951666 851027376 /nfs/dbraw/zinc/02/73/76/851027376.db2.gz OLVBREHLUMFRHJ-FQEVSTJZSA-N 2 2 412.603 4.226 20 0 HIADLP CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000059951666 851027385 /nfs/dbraw/zinc/02/73/85/851027385.db2.gz OLVBREHLUMFRHJ-FQEVSTJZSA-N 2 2 412.603 4.226 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000110732686 853146345 /nfs/dbraw/zinc/14/63/45/853146345.db2.gz AXHHBXZKPLADSM-OTWHNJEPSA-N 2 2 422.013 4.105 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000110732686 853146350 /nfs/dbraw/zinc/14/63/50/853146350.db2.gz AXHHBXZKPLADSM-OTWHNJEPSA-N 2 2 422.013 4.105 20 0 HIADLP C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000138398232 853385184 /nfs/dbraw/zinc/38/51/84/853385184.db2.gz HWFFRNZWNKMBMK-UHFFFAOYSA-N 2 2 404.514 4.079 20 0 HIADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000143294790 853511822 /nfs/dbraw/zinc/51/18/22/853511822.db2.gz KSHGEHGVVUXFOK-UHFFFAOYSA-N 2 2 402.542 4.237 20 0 HIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(I)cc1 ZINC000195616218 853716467 /nfs/dbraw/zinc/71/64/67/853716467.db2.gz QDUXCYYTUFCNIW-AWEZNQCLSA-N 2 2 407.299 4.006 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(SC4CCCC4)cc3)CC2)CC1 ZINC000215994619 853841235 /nfs/dbraw/zinc/84/12/35/853841235.db2.gz BUADOVNSFOCUOC-UHFFFAOYSA-N 2 2 416.635 4.401 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3Oc3ccccc3)CC2)CC1 ZINC000215979127 853841516 /nfs/dbraw/zinc/84/15/16/853841516.db2.gz UPZDQOOHLJTGKC-UHFFFAOYSA-N 2 2 408.546 4.159 20 0 HIADLP CC(C)(C)c1nc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000236723069 853916439 /nfs/dbraw/zinc/91/64/39/853916439.db2.gz WEUDMOMKDMNKBC-UHFFFAOYSA-N 2 2 400.636 4.128 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2Br)[C@@H](C)C1 ZINC000236864221 853930031 /nfs/dbraw/zinc/93/00/31/853930031.db2.gz ARJILFMZDQLFDK-KSSFIOAISA-N 2 2 403.792 4.329 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2Br)[C@@H](C)C1 ZINC000236864221 853930037 /nfs/dbraw/zinc/93/00/37/853930037.db2.gz ARJILFMZDQLFDK-KSSFIOAISA-N 2 2 403.792 4.329 20 0 HIADLP CCOc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc(Br)c1OC(F)F ZINC000236949931 853941610 /nfs/dbraw/zinc/94/16/10/853941610.db2.gz GLGYFXXGSIVGED-LBPRGKRZSA-N 2 2 418.282 4.072 20 0 HIADLP CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1)c1ccccc1 ZINC000237080357 853962072 /nfs/dbraw/zinc/96/20/72/853962072.db2.gz WJNDYKUFDWNGBQ-DEOSSOPVSA-N 2 2 402.542 4.147 20 0 HIADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000237178311 853976694 /nfs/dbraw/zinc/97/66/94/853976694.db2.gz MFDPPGLSJVNUPB-UHFFFAOYSA-N 2 2 403.574 4.314 20 0 HIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccccc3OCc3cccnc3)CC2)cc1 ZINC000237177813 853976808 /nfs/dbraw/zinc/97/68/08/853976808.db2.gz WSJPWMMCXJZFON-UHFFFAOYSA-N 2 2 416.569 4.485 20 0 HIADLP COc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OCc1ccccc1 ZINC000237364458 854015670 /nfs/dbraw/zinc/01/56/70/854015670.db2.gz KCMNCNIWKKGFPS-UHFFFAOYSA-N 2 2 403.526 4.428 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000237653099 854068561 /nfs/dbraw/zinc/06/85/61/854068561.db2.gz QWWYCQYPLBQPGV-UHFFFAOYSA-N 2 2 409.493 4.316 20 0 HIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)o1 ZINC000237656433 854069773 /nfs/dbraw/zinc/06/97/73/854069773.db2.gz HWSFBVKPQUMRLE-UHFFFAOYSA-N 2 2 424.516 4.395 20 0 HIADLP COc1ccc(Br)c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000381350729 855430324 /nfs/dbraw/zinc/43/03/24/855430324.db2.gz MPKRXXPMHJBNJC-SJLPKXTDSA-N 2 2 403.364 4.458 20 0 HIADLP COc1ccc(Br)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000381350729 855430325 /nfs/dbraw/zinc/43/03/25/855430325.db2.gz MPKRXXPMHJBNJC-SJLPKXTDSA-N 2 2 403.364 4.458 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410253592 855882779 /nfs/dbraw/zinc/88/27/79/855882779.db2.gz CWEUAJHGXYGSNX-QGZVFWFLSA-N 2 2 406.530 4.047 20 0 HIADLP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410288412 855905943 /nfs/dbraw/zinc/90/59/43/855905943.db2.gz ACDMGFYFVRUSPJ-NFBKMPQASA-N 2 2 424.564 4.119 20 0 HIADLP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410288412 855905946 /nfs/dbraw/zinc/90/59/46/855905946.db2.gz ACDMGFYFVRUSPJ-NFBKMPQASA-N 2 2 424.564 4.119 20 0 HIADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(Cl)c1 ZINC000426789990 856479057 /nfs/dbraw/zinc/47/90/57/856479057.db2.gz ZJYMYRPGNQZVDD-QRVBRYPASA-N 2 2 422.013 4.187 20 0 HIADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ncc(Br)cc1F ZINC000427716801 856921439 /nfs/dbraw/zinc/92/14/39/856921439.db2.gz BKSMNKRVHCAPFN-DOTOQJQBSA-N 2 2 406.343 4.198 20 0 HIADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ncc(Br)cc1F ZINC000427716801 856921444 /nfs/dbraw/zinc/92/14/44/856921444.db2.gz BKSMNKRVHCAPFN-DOTOQJQBSA-N 2 2 406.343 4.198 20 0 HIADLP CC(C)Sc1cccc(Cl)c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000428276441 857137106 /nfs/dbraw/zinc/13/71/06/857137106.db2.gz JKIGLZKQNQEROZ-UHFFFAOYSA-N 2 2 424.054 4.217 20 0 HIADLP Cc1cccc(Oc2ccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC000437549008 862879774 /nfs/dbraw/zinc/87/97/74/862879774.db2.gz RFPQCCGEQSYJBO-UHFFFAOYSA-N 2 2 410.562 4.277 20 0 HIADLP Cc1cccc(Oc2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2)c1 ZINC000437549008 862879775 /nfs/dbraw/zinc/87/97/75/862879775.db2.gz RFPQCCGEQSYJBO-UHFFFAOYSA-N 2 2 410.562 4.277 20 0 HIADLP Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000428553997 857264486 /nfs/dbraw/zinc/26/44/86/857264486.db2.gz ZECNEVJWGPXWES-QFIPXVFZSA-N 2 2 410.949 4.111 20 0 HIADLP Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000428553997 857264488 /nfs/dbraw/zinc/26/44/88/857264488.db2.gz ZECNEVJWGPXWES-QFIPXVFZSA-N 2 2 410.949 4.111 20 0 HIADLP CCC(CC)(CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000428570624 857269282 /nfs/dbraw/zinc/26/92/82/857269282.db2.gz IWGPUYKKRRQHAL-LJQANCHMSA-N 2 2 411.594 4.270 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429412393 857651952 /nfs/dbraw/zinc/65/19/52/857651952.db2.gz MPKQOJIAVLKKPE-AEFFLSMTSA-N 2 2 414.347 4.137 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429456064 857679545 /nfs/dbraw/zinc/67/95/45/857679545.db2.gz RVUVVWMYGBVQFY-AVRDEDQJSA-N 2 2 422.598 4.455 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429456064 857679549 /nfs/dbraw/zinc/67/95/49/857679549.db2.gz RVUVVWMYGBVQFY-AVRDEDQJSA-N 2 2 422.598 4.455 20 0 HIADLP CCOC(=O)c1csc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)n1 ZINC000429566763 857753238 /nfs/dbraw/zinc/75/32/38/857753238.db2.gz LNELFQSMFMQIEQ-UHFFFAOYSA-N 2 2 410.543 4.194 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c2cccs2)cc1 ZINC000429797930 857888589 /nfs/dbraw/zinc/88/85/89/857888589.db2.gz DYDGNGKBNKSJIE-ZHRMCQFGSA-N 2 2 413.631 4.178 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)c2cccs2)cc1 ZINC000429797930 857888595 /nfs/dbraw/zinc/88/85/95/857888595.db2.gz DYDGNGKBNKSJIE-ZHRMCQFGSA-N 2 2 413.631 4.178 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c2cccs2)cc1 ZINC000429797930 857888597 /nfs/dbraw/zinc/88/85/97/857888597.db2.gz DYDGNGKBNKSJIE-ZHRMCQFGSA-N 2 2 413.631 4.178 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c2cccs2)cc1 ZINC000429797930 857888601 /nfs/dbraw/zinc/88/86/01/857888601.db2.gz DYDGNGKBNKSJIE-ZHRMCQFGSA-N 2 2 413.631 4.178 20 0 HIADLP Cc1ccc(SC2(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCCC2)cc1 ZINC000430772782 858299651 /nfs/dbraw/zinc/29/96/51/858299651.db2.gz NGWDIOQWNQCECP-UHFFFAOYSA-N 2 2 415.647 4.075 20 0 HIADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000431396476 858593270 /nfs/dbraw/zinc/59/32/70/858593270.db2.gz NDXPKGVBLHTDNF-MAUKXSAKSA-N 2 2 406.393 4.489 20 0 HIADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000431396476 858593276 /nfs/dbraw/zinc/59/32/76/858593276.db2.gz NDXPKGVBLHTDNF-MAUKXSAKSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000431396476 858593282 /nfs/dbraw/zinc/59/32/82/858593282.db2.gz NDXPKGVBLHTDNF-MAUKXSAKSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000431396476 858593288 /nfs/dbraw/zinc/59/32/88/858593288.db2.gz NDXPKGVBLHTDNF-MAUKXSAKSA-N 2 2 406.393 4.489 20 0 HIADLP Brc1cccc2c(N3CC[NH+](C[C@H]4CCOC4)CC3)cc(C3CC3)[nH+]c12 ZINC000432835985 859380684 /nfs/dbraw/zinc/38/06/84/859380684.db2.gz RCQFNWUDHOOEBR-OAHLLOKOSA-N 2 2 416.363 4.033 20 0 HIADLP Cc1cccc(Cl)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000467678403 881470884 /nfs/dbraw/zinc/47/08/84/881470884.db2.gz WLHVEHDQRVWRQX-VQTJNVASSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cccc(Cl)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467678403 881470903 /nfs/dbraw/zinc/47/09/03/881470903.db2.gz WLHVEHDQRVWRQX-VQTJNVASSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@@H](C)c3nc(Cc4ccc(F)cc4)no3)C1)CCCC2 ZINC000434501923 860376770 /nfs/dbraw/zinc/37/67/70/860376770.db2.gz IFTRSKJTGMAVTH-KXBFYZLASA-N 2 2 409.509 4.191 20 0 HIADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H](C)c3nc(Cc4ccc(F)cc4)no3)C1)CCCC2 ZINC000434501923 860376780 /nfs/dbraw/zinc/37/67/80/860376780.db2.gz IFTRSKJTGMAVTH-KXBFYZLASA-N 2 2 409.509 4.191 20 0 HIADLP C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000467730349 881531230 /nfs/dbraw/zinc/53/12/30/881531230.db2.gz AZFIDJPUHIXZHF-OLZOCXBDSA-N 2 2 416.488 4.465 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cc2ccccc2o1 ZINC000434685069 860459696 /nfs/dbraw/zinc/45/96/96/860459696.db2.gz MGCYMKRDZUKIEF-MSOLQXFVSA-N 2 2 420.557 4.411 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467748309 881552447 /nfs/dbraw/zinc/55/24/47/881552447.db2.gz XXQDCUQTHTYVSI-HNNXBMFYSA-N 2 2 412.525 4.150 20 0 HIADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000435768593 861044398 /nfs/dbraw/zinc/04/43/98/861044398.db2.gz FCKMBPNUYVKPMI-IBGZPJMESA-N 2 2 405.612 4.048 20 0 HIADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000435768593 861044407 /nfs/dbraw/zinc/04/44/07/861044407.db2.gz FCKMBPNUYVKPMI-IBGZPJMESA-N 2 2 405.612 4.048 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000437953757 863325851 /nfs/dbraw/zinc/32/58/51/863325851.db2.gz LNISNKMTKPPYBL-UHFFFAOYSA-N 2 2 416.516 4.122 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000437953757 863325861 /nfs/dbraw/zinc/32/58/61/863325861.db2.gz LNISNKMTKPPYBL-UHFFFAOYSA-N 2 2 416.516 4.122 20 0 HIADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000439648444 864975267 /nfs/dbraw/zinc/97/52/67/864975267.db2.gz AAFUHPKVPKTMJE-SFHVURJKSA-N 2 2 412.603 4.163 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000440787636 865912355 /nfs/dbraw/zinc/91/23/55/865912355.db2.gz WMLIGHWQTFSXFG-DVECYGJZSA-N 2 2 400.526 4.230 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000440787636 865912371 /nfs/dbraw/zinc/91/23/71/865912371.db2.gz WMLIGHWQTFSXFG-DVECYGJZSA-N 2 2 400.526 4.230 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N2CCCc3ccccc32)c(C)c1 ZINC000441361270 866431312 /nfs/dbraw/zinc/43/13/12/866431312.db2.gz FSCYTOQTWWSLEJ-NZQKXSOJSA-N 2 2 402.542 4.199 20 0 HIADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441387664 866459618 /nfs/dbraw/zinc/45/96/18/866459618.db2.gz QORJAKOPZWSDBM-MZKRTTBSSA-N 2 2 420.557 4.105 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1Br ZINC000441414094 866487805 /nfs/dbraw/zinc/48/78/05/866487805.db2.gz RWVFCIBDGFCPAH-RZQQEMMASA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1Br ZINC000441414094 866487816 /nfs/dbraw/zinc/48/78/16/866487816.db2.gz RWVFCIBDGFCPAH-RZQQEMMASA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1Br ZINC000441414094 866487829 /nfs/dbraw/zinc/48/78/29/866487829.db2.gz RWVFCIBDGFCPAH-RZQQEMMASA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1Br ZINC000441414094 866487837 /nfs/dbraw/zinc/48/78/37/866487837.db2.gz RWVFCIBDGFCPAH-RZQQEMMASA-N 2 2 420.395 4.033 20 0 HIADLP C[NH+](C)CC1CCC(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000441519532 866594370 /nfs/dbraw/zinc/59/43/70/866594370.db2.gz DDPBKCSWUMCVNK-LBXVMSDZSA-N 2 2 424.992 4.036 20 0 HIADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000443610059 868174679 /nfs/dbraw/zinc/17/46/79/868174679.db2.gz NOWUCCYBJNAOAW-MRXNPFEDSA-N 2 2 412.405 4.321 20 0 HIADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000443610058 868175716 /nfs/dbraw/zinc/17/57/16/868175716.db2.gz NOWUCCYBJNAOAW-INIZCTEOSA-N 2 2 412.405 4.321 20 0 HIADLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(OCc2cccnc2)c1 ZINC000443985885 868510642 /nfs/dbraw/zinc/51/06/42/868510642.db2.gz FGJIJCNLCISFBA-UHFFFAOYSA-N 2 2 417.553 4.423 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000444341704 868770794 /nfs/dbraw/zinc/77/07/94/868770794.db2.gz KDDBCOKVWMJJEJ-GCJKJVERSA-N 2 2 421.545 4.361 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1ccco1 ZINC000444569679 868886196 /nfs/dbraw/zinc/88/61/96/868886196.db2.gz FZMKIGMICILDSC-DYESRHJHSA-N 2 2 409.534 4.217 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000444790722 869008332 /nfs/dbraw/zinc/00/83/32/869008332.db2.gz JHFGXTAZBXLTRP-RBBKRZOGSA-N 2 2 408.590 4.261 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000444790722 869008351 /nfs/dbraw/zinc/00/83/51/869008351.db2.gz JHFGXTAZBXLTRP-RBBKRZOGSA-N 2 2 408.590 4.261 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000444808133 869022242 /nfs/dbraw/zinc/02/22/42/869022242.db2.gz ZEYHZMYDSQFJOO-OAHLLOKOSA-N 2 2 401.308 4.217 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000444808133 869022258 /nfs/dbraw/zinc/02/22/58/869022258.db2.gz ZEYHZMYDSQFJOO-OAHLLOKOSA-N 2 2 401.308 4.217 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc4c(c3)C(C)(C)CC4(C)C)CC2)CC1 ZINC000444881368 869074607 /nfs/dbraw/zinc/07/46/07/869074607.db2.gz UHXKLWLPQONMRE-UHFFFAOYSA-N 2 2 412.622 4.326 20 0 HIADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000446837642 870754676 /nfs/dbraw/zinc/75/46/76/870754676.db2.gz YVZKGCGYLCFEKG-JOCHJYFZSA-N 2 2 413.635 4.059 20 0 HIADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)CCC2 ZINC000447578105 871477857 /nfs/dbraw/zinc/47/78/57/871477857.db2.gz CWHRAWDNTBQJAL-XLIONFOSSA-N 2 2 411.546 4.352 20 0 HIADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1CC[NH+]([C@@H](C)c3ccncc3)CC1)CCC2 ZINC000447578098 871478517 /nfs/dbraw/zinc/47/85/17/871478517.db2.gz CWHRAWDNTBQJAL-FXAWDEMLSA-N 2 2 411.546 4.352 20 0 HIADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1CC[NH+]([C@H](C)c3ccncc3)CC1)CCC2 ZINC000447578107 871479469 /nfs/dbraw/zinc/47/94/69/871479469.db2.gz CWHRAWDNTBQJAL-YLJYHZDGSA-N 2 2 411.546 4.352 20 0 HIADLP CC1(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000447678088 871610192 /nfs/dbraw/zinc/61/01/92/871610192.db2.gz IZMOXWSBDKFCGK-UHFFFAOYSA-N 2 2 420.601 4.228 20 0 HIADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000448027324 871866308 /nfs/dbraw/zinc/86/63/08/871866308.db2.gz MNEMQFFYRKPKHM-CPJSRVTESA-N 2 2 417.601 4.392 20 0 HIADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000448027324 871866311 /nfs/dbraw/zinc/86/63/11/871866311.db2.gz MNEMQFFYRKPKHM-CPJSRVTESA-N 2 2 417.601 4.392 20 0 HIADLP CC[C@H](Oc1ccccc1C(C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460487509 873174203 /nfs/dbraw/zinc/17/42/03/873174203.db2.gz GMBUOYYTAMIARX-QFIPXVFZSA-N 2 2 415.622 4.034 20 0 HIADLP CCSc1cc(Cl)ccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000461006062 873881480 /nfs/dbraw/zinc/88/14/80/873881480.db2.gz HAENQROGUKEHRD-UHFFFAOYSA-N 2 2 410.027 4.132 20 0 HIADLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)n1C1CCCCC1 ZINC000461280432 874287751 /nfs/dbraw/zinc/28/77/51/874287751.db2.gz AKICTPIUCFDHHQ-UHFFFAOYSA-N 2 2 414.638 4.290 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H](C)O1 ZINC000461875335 875028427 /nfs/dbraw/zinc/02/84/27/875028427.db2.gz GJYSWMWCXNGYKR-RTBURBONSA-N 2 2 416.525 4.109 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1csc(-c2ccccc2F)n1 ZINC000462800883 875850372 /nfs/dbraw/zinc/85/03/72/875850372.db2.gz GMMWRWGVIJETLN-VQIMIIECSA-N 2 2 411.546 4.367 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1csc(-c2ccccc2F)n1 ZINC000462800883 875850379 /nfs/dbraw/zinc/85/03/79/875850379.db2.gz GMMWRWGVIJETLN-VQIMIIECSA-N 2 2 411.546 4.367 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)c2)CCO1 ZINC000463080980 876113283 /nfs/dbraw/zinc/11/32/83/876113283.db2.gz HFPYIMOXPUJOEL-XLGIIRLISA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)c2)CCO1 ZINC000463080980 876113295 /nfs/dbraw/zinc/11/32/95/876113295.db2.gz HFPYIMOXPUJOEL-XLGIIRLISA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c2)CCO1 ZINC000463080980 876113308 /nfs/dbraw/zinc/11/33/08/876113308.db2.gz HFPYIMOXPUJOEL-XLGIIRLISA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)c2)CCO1 ZINC000463080980 876113324 /nfs/dbraw/zinc/11/33/24/876113324.db2.gz HFPYIMOXPUJOEL-XLGIIRLISA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)c2)CCO1 ZINC000463080980 876113336 /nfs/dbraw/zinc/11/33/36/876113336.db2.gz HFPYIMOXPUJOEL-XLGIIRLISA-N 2 2 407.602 4.050 20 0 HIADLP C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)c2)CCO1 ZINC000463080980 876113345 /nfs/dbraw/zinc/11/33/45/876113345.db2.gz HFPYIMOXPUJOEL-XLGIIRLISA-N 2 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000463136583 876184604 /nfs/dbraw/zinc/18/46/04/876184604.db2.gz FIXYGEMIWDDTQE-ZRZAMGCNSA-N 3 2 421.629 4.093 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000463136583 876184618 /nfs/dbraw/zinc/18/46/18/876184618.db2.gz FIXYGEMIWDDTQE-ZRZAMGCNSA-N 3 2 421.629 4.093 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3CCCC[NH+]3Cc3ccccc3)c2)C[C@H](C)O1 ZINC000468961935 883029148 /nfs/dbraw/zinc/02/91/48/883029148.db2.gz MXPFEQZJTYFGJW-TYBLODHISA-N 2 2 421.585 4.289 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3CCCC[NH+]3Cc3ccccc3)c2)C[C@H](C)O1 ZINC000468961935 883029174 /nfs/dbraw/zinc/02/91/74/883029174.db2.gz MXPFEQZJTYFGJW-TYBLODHISA-N 2 2 421.585 4.289 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)c2)C[C@H](C)O1 ZINC000468961935 883029196 /nfs/dbraw/zinc/02/91/96/883029196.db2.gz MXPFEQZJTYFGJW-TYBLODHISA-N 2 2 421.585 4.289 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)c2)C[C@H](C)O1 ZINC000468961935 883029217 /nfs/dbraw/zinc/02/92/17/883029217.db2.gz MXPFEQZJTYFGJW-TYBLODHISA-N 2 2 421.585 4.289 20 0 HIADLP C[NH+](C)CCc1ccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000463697144 876817042 /nfs/dbraw/zinc/81/70/42/876817042.db2.gz QBRAKJQOZGFTCB-UHFFFAOYSA-N 2 2 417.557 4.312 20 0 HIADLP C[N@H+](CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)Cc1ccccc1 ZINC000463713954 876833258 /nfs/dbraw/zinc/83/32/58/876833258.db2.gz JHNATGVLVLKQTA-UHFFFAOYSA-N 2 2 403.530 4.140 20 0 HIADLP C[N@@H+](CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)Cc1ccccc1 ZINC000463713954 876833265 /nfs/dbraw/zinc/83/32/65/876833265.db2.gz JHNATGVLVLKQTA-UHFFFAOYSA-N 2 2 403.530 4.140 20 0 HIADLP CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806526 878053201 /nfs/dbraw/zinc/05/32/01/878053201.db2.gz DIBKSTJVQNOXGA-SFHVURJKSA-N 2 2 414.981 4.151 20 0 HIADLP CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806526 878053219 /nfs/dbraw/zinc/05/32/19/878053219.db2.gz DIBKSTJVQNOXGA-SFHVURJKSA-N 2 2 414.981 4.151 20 0 HIADLP CC[N@H+](CCCc1nc(-c2cccs2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808553 878055801 /nfs/dbraw/zinc/05/58/01/878055801.db2.gz XSDBLJSKZYEWBR-UHFFFAOYSA-N 2 2 411.575 4.364 20 0 HIADLP CC[N@@H+](CCCc1nc(-c2cccs2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464808553 878055821 /nfs/dbraw/zinc/05/58/21/878055821.db2.gz XSDBLJSKZYEWBR-UHFFFAOYSA-N 2 2 411.575 4.364 20 0 HIADLP CCc1ccc([C@@H](C)NC(=O)C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464808202 878056974 /nfs/dbraw/zinc/05/69/74/878056974.db2.gz JXGKZWYMVRQBJO-HXUWFJFHSA-N 2 2 408.590 4.060 20 0 HIADLP CCc1ccc([C@@H](C)NC(=O)C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000464808202 878056995 /nfs/dbraw/zinc/05/69/95/878056995.db2.gz JXGKZWYMVRQBJO-HXUWFJFHSA-N 2 2 408.590 4.060 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464848703 878122599 /nfs/dbraw/zinc/12/25/99/878122599.db2.gz XHGZUSRBRPMRQB-TZIWHRDSSA-N 2 2 413.993 4.313 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464848703 878122602 /nfs/dbraw/zinc/12/26/02/878122602.db2.gz XHGZUSRBRPMRQB-TZIWHRDSSA-N 2 2 413.993 4.313 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464848703 878122607 /nfs/dbraw/zinc/12/26/07/878122607.db2.gz XHGZUSRBRPMRQB-TZIWHRDSSA-N 2 2 413.993 4.313 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464848703 878122612 /nfs/dbraw/zinc/12/26/12/878122612.db2.gz XHGZUSRBRPMRQB-TZIWHRDSSA-N 2 2 413.993 4.313 20 0 HIADLP CC(C)C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000465464802 878898043 /nfs/dbraw/zinc/89/80/43/878898043.db2.gz FWANPPKFHNDHGX-JOCHJYFZSA-N 2 2 400.611 4.023 20 0 HIADLP CC(C)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000465490862 878932523 /nfs/dbraw/zinc/93/25/23/878932523.db2.gz ICBITZIUYTXHEY-OAQYLSRUSA-N 2 2 421.029 4.287 20 0 HIADLP CC[C@@H](C)[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465803168 879415414 /nfs/dbraw/zinc/41/54/14/879415414.db2.gz CEGBBFKXFYEIGC-VGOFRKELSA-N 2 2 421.029 4.285 20 0 HIADLP CC(C)C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465821029 879448750 /nfs/dbraw/zinc/44/87/50/879448750.db2.gz XYGBOSJPSJYPQD-JOCHJYFZSA-N 2 2 421.029 4.285 20 0 HIADLP Cc1oc2ccccc2c1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466278205 880016849 /nfs/dbraw/zinc/01/68/49/880016849.db2.gz OWNBURPKWXPXRT-PKTZIBPZSA-N 2 2 411.590 4.079 20 0 HIADLP Cc1oc2ccccc2c1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466278205 880016866 /nfs/dbraw/zinc/01/68/66/880016866.db2.gz OWNBURPKWXPXRT-PKTZIBPZSA-N 2 2 411.590 4.079 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000467155718 880890116 /nfs/dbraw/zinc/89/01/16/880890116.db2.gz RZTFHHNDGLJFGA-SFHVURJKSA-N 2 2 407.345 4.260 20 0 HIADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000467181924 880908795 /nfs/dbraw/zinc/90/87/95/880908795.db2.gz PYWJMEKYQASGLK-OAHLLOKOSA-N 2 2 416.393 4.143 20 0 HIADLP Brc1cccc([C@H]([NH2+]CCCNc2cccc[nH+]2)C2CCOCC2)c1 ZINC000467420676 881209624 /nfs/dbraw/zinc/20/96/24/881209624.db2.gz SCCOROQUCGCGAH-HXUWFJFHSA-N 2 2 404.352 4.404 20 0 HIADLP CC(C)C[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000469775270 883951968 /nfs/dbraw/zinc/95/19/68/883951968.db2.gz KALQNWQIOWRFTH-JFJDKTSWSA-N 2 2 411.594 4.241 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[C@H](C)C1 ZINC000469787526 883962472 /nfs/dbraw/zinc/96/24/72/883962472.db2.gz UPHGNOKJFAEJRZ-GGPKGHCWSA-N 2 2 410.002 4.010 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)[C@H](C)C1 ZINC000469787526 883962497 /nfs/dbraw/zinc/96/24/97/883962497.db2.gz UPHGNOKJFAEJRZ-GGPKGHCWSA-N 2 2 410.002 4.010 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C[C@H]1n1cc[nH+]c1 ZINC000469862892 884052458 /nfs/dbraw/zinc/05/24/58/884052458.db2.gz NYSUEHYQLFSTHW-TXTKFYIRSA-N 2 2 409.578 4.050 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@H]1n1cc[nH+]c1 ZINC000469862892 884052477 /nfs/dbraw/zinc/05/24/77/884052477.db2.gz NYSUEHYQLFSTHW-TXTKFYIRSA-N 2 2 409.578 4.050 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471175332 885737138 /nfs/dbraw/zinc/73/71/38/885737138.db2.gz CPCWNBUBNHVIKF-SIKLNZKXSA-N 2 2 404.514 4.286 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471175332 885737146 /nfs/dbraw/zinc/73/71/46/885737146.db2.gz CPCWNBUBNHVIKF-SIKLNZKXSA-N 2 2 404.514 4.286 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471183843 885749734 /nfs/dbraw/zinc/74/97/34/885749734.db2.gz UYMPPXGRCVAOSQ-ICSRJNTNSA-N 2 2 404.514 4.195 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471183843 885749742 /nfs/dbraw/zinc/74/97/42/885749742.db2.gz UYMPPXGRCVAOSQ-ICSRJNTNSA-N 2 2 404.514 4.195 20 0 HIADLP Cc1nc2[nH]ccc2c(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)[nH+]1 ZINC000471247254 885824864 /nfs/dbraw/zinc/82/48/64/885824864.db2.gz OTNQVDXSEHAJHF-UHFFFAOYSA-N 2 2 412.541 4.201 20 0 HIADLP CC[NH+](CC)[C@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)c1ccccc1 ZINC000504222545 913095241 /nfs/dbraw/zinc/09/52/41/913095241.db2.gz GEINVSPVCUTYPZ-QFIPXVFZSA-N 2 2 406.530 4.000 20 0 HIADLP CCC[N@H+](Cc1noc(-c2ccccc2C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000472752215 887597326 /nfs/dbraw/zinc/59/73/26/887597326.db2.gz NPDZPWIJERASBH-UHFFFAOYSA-N 2 2 420.561 4.333 20 0 HIADLP CCC[N@@H+](Cc1noc(-c2ccccc2C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000472752215 887597337 /nfs/dbraw/zinc/59/73/37/887597337.db2.gz NPDZPWIJERASBH-UHFFFAOYSA-N 2 2 420.561 4.333 20 0 HIADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473873967 888736971 /nfs/dbraw/zinc/73/69/71/888736971.db2.gz HTQFHCUPTVFMJS-NZQKXSOJSA-N 2 2 421.589 4.049 20 0 HIADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473873967 888736980 /nfs/dbraw/zinc/73/69/80/888736980.db2.gz HTQFHCUPTVFMJS-NZQKXSOJSA-N 2 2 421.589 4.049 20 0 HIADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473873969 888737491 /nfs/dbraw/zinc/73/74/91/888737491.db2.gz HTQFHCUPTVFMJS-REWPJTCUSA-N 2 2 421.589 4.049 20 0 HIADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473873969 888737503 /nfs/dbraw/zinc/73/75/03/888737503.db2.gz HTQFHCUPTVFMJS-REWPJTCUSA-N 2 2 421.589 4.049 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)C2 ZINC000474203507 889040466 /nfs/dbraw/zinc/04/04/66/889040466.db2.gz IOWGQRFHDWNZFQ-YLJYHZDGSA-N 2 2 414.619 4.289 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)CC2 ZINC000474203507 889040477 /nfs/dbraw/zinc/04/04/77/889040477.db2.gz IOWGQRFHDWNZFQ-YLJYHZDGSA-N 2 2 414.619 4.289 20 0 HIADLP COc1ccc2nc(C[NH2+]Cc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000474353202 889230900 /nfs/dbraw/zinc/23/09/00/889230900.db2.gz NMRFJRSKWIJUBR-CALCHBBNSA-N 2 2 411.571 4.204 20 0 HIADLP COc1ccc2nc(C[NH2+]Cc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000474353202 889230921 /nfs/dbraw/zinc/23/09/21/889230921.db2.gz NMRFJRSKWIJUBR-CALCHBBNSA-N 2 2 411.571 4.204 20 0 HIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000474628860 889491352 /nfs/dbraw/zinc/49/13/52/889491352.db2.gz UVSMNDKQGPOYLF-UHFFFAOYSA-N 2 2 405.011 4.277 20 0 HIADLP COc1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1OC(F)F ZINC000475352131 890276042 /nfs/dbraw/zinc/27/60/42/890276042.db2.gz IKGKTSSSNPCCKU-UHFFFAOYSA-N 2 2 408.411 4.192 20 0 HIADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)CC3 ZINC000475353477 890278142 /nfs/dbraw/zinc/27/81/42/890278142.db2.gz WDIDXRLIRYFYRS-KLAILNCOSA-N 2 2 421.507 4.429 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)C2 ZINC000476461179 891374137 /nfs/dbraw/zinc/37/41/37/891374137.db2.gz RUPUEXRXDLQSIO-CEWLAPEOSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)C2 ZINC000476461179 891374151 /nfs/dbraw/zinc/37/41/51/891374151.db2.gz RUPUEXRXDLQSIO-CEWLAPEOSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC000476461179 891374165 /nfs/dbraw/zinc/37/41/65/891374165.db2.gz RUPUEXRXDLQSIO-CEWLAPEOSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)CC2 ZINC000476461179 891374179 /nfs/dbraw/zinc/37/41/79/891374179.db2.gz RUPUEXRXDLQSIO-CEWLAPEOSA-N 2 2 408.590 4.055 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cn(C)c2ccccc12 ZINC000477697206 892814344 /nfs/dbraw/zinc/81/43/44/892814344.db2.gz CTAWBIOUBQAWOD-OWAUWMPXSA-N 2 2 424.633 4.077 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cn(C)c2ccccc12 ZINC000477697206 892814347 /nfs/dbraw/zinc/81/43/47/892814347.db2.gz CTAWBIOUBQAWOD-OWAUWMPXSA-N 2 2 424.633 4.077 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000478052985 893201861 /nfs/dbraw/zinc/20/18/61/893201861.db2.gz JEVKGSIYTQNLFE-MRXNPFEDSA-N 2 2 402.970 4.465 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000478052985 893201885 /nfs/dbraw/zinc/20/18/85/893201885.db2.gz JEVKGSIYTQNLFE-MRXNPFEDSA-N 2 2 402.970 4.465 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2nc3ccc(Cl)cc3n2C)C[C@@H](C)O1 ZINC000478312976 893536606 /nfs/dbraw/zinc/53/66/06/893536606.db2.gz LEBBBFXLPGOFOC-IAGOWNOFSA-N 2 2 412.965 4.126 20 0 HIADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000479252861 894519254 /nfs/dbraw/zinc/51/92/54/894519254.db2.gz LDQGVEDAWSCLPZ-GFCCVEGCSA-N 2 2 409.290 4.229 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)N2CCCC2)c1 ZINC000480083155 895441767 /nfs/dbraw/zinc/44/17/67/895441767.db2.gz ORJSVFMXUUPDLW-QGDZQMKYSA-N 2 2 407.602 4.332 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)N2CCCC2)c1 ZINC000480083155 895441771 /nfs/dbraw/zinc/44/17/71/895441771.db2.gz ORJSVFMXUUPDLW-QGDZQMKYSA-N 2 2 407.602 4.332 20 0 HIADLP COc1cc2c(cc1F)[nH+]ccc2N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000480114380 895486516 /nfs/dbraw/zinc/48/65/16/895486516.db2.gz VTMSXNXSGWZELM-UHFFFAOYSA-N 2 2 402.473 4.384 20 0 HIADLP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)nnn1-c1ccccc1 ZINC000480241300 895652474 /nfs/dbraw/zinc/65/24/74/895652474.db2.gz OHNSMGHBILRVGL-UFYCRDLUSA-N 2 2 419.573 4.036 20 0 HIADLP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000480256288 895666315 /nfs/dbraw/zinc/66/63/15/895666315.db2.gz ACENQHLYTYGUPE-BKMJKUGQSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000480256288 895666324 /nfs/dbraw/zinc/66/63/24/895666324.db2.gz ACENQHLYTYGUPE-BKMJKUGQSA-N 3 2 406.618 4.314 20 0 HIADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480366743 895773004 /nfs/dbraw/zinc/77/30/04/895773004.db2.gz ZPCGJLXMAAQXLO-GCJKJVERSA-N 2 2 412.480 4.197 20 0 HIADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480366743 895773026 /nfs/dbraw/zinc/77/30/26/895773026.db2.gz ZPCGJLXMAAQXLO-GCJKJVERSA-N 2 2 412.480 4.197 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000480385718 895792112 /nfs/dbraw/zinc/79/21/12/895792112.db2.gz RETTXKYAEOGSAS-IBGZPJMESA-N 2 2 407.537 4.004 20 0 HIADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000480529284 895892227 /nfs/dbraw/zinc/89/22/27/895892227.db2.gz QQIBUJXDYAZQAG-QGZVFWFLSA-N 2 2 406.921 4.059 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000480601293 895963970 /nfs/dbraw/zinc/96/39/70/895963970.db2.gz MTOYVHHUUITPKV-TVZXLZGTSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000480601293 895963979 /nfs/dbraw/zinc/96/39/79/895963979.db2.gz MTOYVHHUUITPKV-TVZXLZGTSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000480601293 895963986 /nfs/dbraw/zinc/96/39/86/895963986.db2.gz MTOYVHHUUITPKV-TVZXLZGTSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000480601293 895963994 /nfs/dbraw/zinc/96/39/94/895963994.db2.gz MTOYVHHUUITPKV-TVZXLZGTSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000480612354 895979144 /nfs/dbraw/zinc/97/91/44/895979144.db2.gz LQCYVTJIFXSIQP-DRLORSAXSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000480612354 895979155 /nfs/dbraw/zinc/97/91/55/895979155.db2.gz LQCYVTJIFXSIQP-DRLORSAXSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000480612354 895979164 /nfs/dbraw/zinc/97/91/64/895979164.db2.gz LQCYVTJIFXSIQP-DRLORSAXSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000480612354 895979174 /nfs/dbraw/zinc/97/91/74/895979174.db2.gz LQCYVTJIFXSIQP-DRLORSAXSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000480621959 895989861 /nfs/dbraw/zinc/98/98/61/895989861.db2.gz UQNLPBRDFQTAHE-DRLORSAXSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000480621959 895989873 /nfs/dbraw/zinc/98/98/73/895989873.db2.gz UQNLPBRDFQTAHE-DRLORSAXSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000480621959 895989884 /nfs/dbraw/zinc/98/98/84/895989884.db2.gz UQNLPBRDFQTAHE-DRLORSAXSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000480621959 895989892 /nfs/dbraw/zinc/98/98/92/895989892.db2.gz UQNLPBRDFQTAHE-DRLORSAXSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480622509 895990917 /nfs/dbraw/zinc/99/09/17/895990917.db2.gz YSZRAPORWJYLBF-GOSISDBHSA-N 2 2 413.587 4.118 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1Cl ZINC000480631640 896001513 /nfs/dbraw/zinc/00/15/13/896001513.db2.gz RRELOOVXOCHKKO-OAHLLOKOSA-N 2 2 406.357 4.232 20 0 HIADLP Cn1cc([C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2ccc(F)cc2)cn1 ZINC000480657484 896025728 /nfs/dbraw/zinc/02/57/28/896025728.db2.gz HTGDKHWDFDEIHS-MNPDLOSFSA-N 2 2 404.533 4.149 20 0 HIADLP Cn1cc([C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2ccc(F)cc2)cn1 ZINC000480657484 896025745 /nfs/dbraw/zinc/02/57/45/896025745.db2.gz HTGDKHWDFDEIHS-MNPDLOSFSA-N 2 2 404.533 4.149 20 0 HIADLP Fc1ccc([C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2ccccc2)cc1 ZINC000480756398 896117549 /nfs/dbraw/zinc/11/75/49/896117549.db2.gz HPDJRGZIQJXIMP-SANMLTNESA-N 2 2 420.528 4.416 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000480781193 896147144 /nfs/dbraw/zinc/14/71/44/896147144.db2.gz UHTLMFOEMYLYAU-WZONZLPQSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000480781193 896147153 /nfs/dbraw/zinc/14/71/53/896147153.db2.gz UHTLMFOEMYLYAU-WZONZLPQSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000480886096 896241975 /nfs/dbraw/zinc/24/19/75/896241975.db2.gz XHBFMQULRZQXFV-YADARESESA-N 2 2 406.574 4.211 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000480886096 896241989 /nfs/dbraw/zinc/24/19/89/896241989.db2.gz XHBFMQULRZQXFV-YADARESESA-N 2 2 406.574 4.211 20 0 HIADLP COc1ccccc1[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000481181392 896520591 /nfs/dbraw/zinc/52/05/91/896520591.db2.gz ZJWDSWRHGFXZJO-ZODMCCGTSA-N 2 2 422.617 4.117 20 0 HIADLP COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[NH+]1CCCCC1 ZINC000481181392 896520608 /nfs/dbraw/zinc/52/06/08/896520608.db2.gz ZJWDSWRHGFXZJO-ZODMCCGTSA-N 2 2 422.617 4.117 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000481186057 896533925 /nfs/dbraw/zinc/53/39/25/896533925.db2.gz HIKOASCPYRHZPL-TUNNFDKTSA-N 2 2 423.626 4.404 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000481186057 896533937 /nfs/dbraw/zinc/53/39/37/896533937.db2.gz HIKOASCPYRHZPL-TUNNFDKTSA-N 2 2 423.626 4.404 20 0 HIADLP C[N@H+](CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000505410729 914075311 /nfs/dbraw/zinc/07/53/11/914075311.db2.gz UAXBCTXTMHXFBF-UHFFFAOYSA-N 2 2 424.548 4.347 20 0 HIADLP C[N@@H+](CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000505410729 914075333 /nfs/dbraw/zinc/07/53/33/914075333.db2.gz UAXBCTXTMHXFBF-UHFFFAOYSA-N 2 2 424.548 4.347 20 0 HIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCCO2 ZINC000481192429 896544263 /nfs/dbraw/zinc/54/42/63/896544263.db2.gz POMSFKQTJHGDSD-OAQYLSRUSA-N 2 2 416.949 4.055 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1Br ZINC000481327276 896683551 /nfs/dbraw/zinc/68/35/51/896683551.db2.gz GCVSFFINHWWRON-HNNXBMFYSA-N 2 2 407.327 4.271 20 0 HIADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000481732350 897124970 /nfs/dbraw/zinc/12/49/70/897124970.db2.gz GSNGRBVPHNZQKB-MRXNPFEDSA-N 2 2 413.953 4.020 20 0 HIADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1OC1CCCC1 ZINC000482439169 897999538 /nfs/dbraw/zinc/99/95/38/897999538.db2.gz OAEWZJHQPMTGOH-AUSIDOKSSA-N 2 2 409.574 4.412 20 0 HIADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1OC1CCCC1 ZINC000482439169 897999549 /nfs/dbraw/zinc/99/95/49/897999549.db2.gz OAEWZJHQPMTGOH-AUSIDOKSSA-N 2 2 409.574 4.412 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1)C1CC1 ZINC000505528142 914221206 /nfs/dbraw/zinc/22/12/06/914221206.db2.gz YVXHECXTKUXZRL-HXUWFJFHSA-N 2 2 421.585 4.199 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1)C1CC1 ZINC000505528142 914221224 /nfs/dbraw/zinc/22/12/24/914221224.db2.gz YVXHECXTKUXZRL-HXUWFJFHSA-N 2 2 421.585 4.199 20 0 HIADLP COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1OC ZINC000482558430 898150495 /nfs/dbraw/zinc/15/04/95/898150495.db2.gz SVXAZGXSORINRS-CVEARBPZSA-N 2 2 419.516 4.146 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)oc1C ZINC000482883103 898497237 /nfs/dbraw/zinc/49/72/37/898497237.db2.gz CJXZTCDSYLKUJF-CYFREDJKSA-N 3 2 410.606 4.004 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)oc1C ZINC000482883103 898497242 /nfs/dbraw/zinc/49/72/42/898497242.db2.gz CJXZTCDSYLKUJF-CYFREDJKSA-N 3 2 410.606 4.004 20 0 HIADLP Cc1nc(CN2CCC(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)oc1C ZINC000482883103 898497253 /nfs/dbraw/zinc/49/72/53/898497253.db2.gz CJXZTCDSYLKUJF-CYFREDJKSA-N 2 2 410.606 4.004 20 0 HIADLP Cc1nc(CN2CCC(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)oc1C ZINC000482883103 898497261 /nfs/dbraw/zinc/49/72/61/898497261.db2.gz CJXZTCDSYLKUJF-CYFREDJKSA-N 2 2 410.606 4.004 20 0 HIADLP CC[C@@H](CN(CC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000483094301 898783442 /nfs/dbraw/zinc/78/34/42/898783442.db2.gz DENKYWDFECPWRX-QFIPXVFZSA-N 2 2 414.638 4.162 20 0 HIADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)nnn1-c1cccc(Cl)c1 ZINC000483117537 898807111 /nfs/dbraw/zinc/80/71/11/898807111.db2.gz JDJTXKTUZDSQTQ-CQSZACIVSA-N 2 2 401.917 4.281 20 0 HIADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-c2ccccc2Cl)s1 ZINC000483143470 898822734 /nfs/dbraw/zinc/82/27/34/898822734.db2.gz LDDFJCKMIXXCAH-GOSISDBHSA-N 2 2 422.038 4.109 20 0 HIADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)nnn1-c1ccc(Cl)cc1 ZINC000483153166 898827888 /nfs/dbraw/zinc/82/78/88/898827888.db2.gz ZJBUULXZCXVKMV-CQSZACIVSA-N 2 2 401.917 4.281 20 0 HIADLP Cc1c2ccccc2oc1[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000483816211 899493327 /nfs/dbraw/zinc/49/33/27/899493327.db2.gz LLLPLZCCXXYZGA-JOCHJYFZSA-N 2 2 414.594 4.106 20 0 HIADLP Cc1c2ccccc2oc1[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000483816211 899493340 /nfs/dbraw/zinc/49/33/40/899493340.db2.gz LLLPLZCCXXYZGA-JOCHJYFZSA-N 2 2 414.594 4.106 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000483967232 899613749 /nfs/dbraw/zinc/61/37/49/899613749.db2.gz RUXGKXSOSGMTTG-UHFFFAOYSA-N 2 2 407.493 4.106 20 0 HIADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000484130476 899751484 /nfs/dbraw/zinc/75/14/84/899751484.db2.gz MSLUFDZYQLPHFY-MOPGFXCFSA-N 2 2 415.603 4.372 20 0 HIADLP CCC(CC)(C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000484133601 899754234 /nfs/dbraw/zinc/75/42/34/899754234.db2.gz AILLXRRLWFQFOK-RTBURBONSA-N 2 2 417.619 4.155 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000484140965 899761222 /nfs/dbraw/zinc/76/12/22/899761222.db2.gz GTUUGRSGYSSBRA-HSQYWUDLSA-N 2 2 422.598 4.047 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000484140965 899761234 /nfs/dbraw/zinc/76/12/34/899761234.db2.gz GTUUGRSGYSSBRA-HSQYWUDLSA-N 2 2 422.598 4.047 20 0 HIADLP Cc1c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000484149017 899769931 /nfs/dbraw/zinc/76/99/31/899769931.db2.gz SNNXDGKHOVKRPE-UUOWRZLLSA-N 2 2 424.976 4.122 20 0 HIADLP Cc1c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000484149017 899769933 /nfs/dbraw/zinc/76/99/33/899769933.db2.gz SNNXDGKHOVKRPE-UUOWRZLLSA-N 2 2 424.976 4.122 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000484150598 899771017 /nfs/dbraw/zinc/77/10/17/899771017.db2.gz YJXTVVQKEPAXPN-IOMROCGXSA-N 2 2 402.991 4.350 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000484150598 899771025 /nfs/dbraw/zinc/77/10/25/899771025.db2.gz YJXTVVQKEPAXPN-IOMROCGXSA-N 2 2 402.991 4.350 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000484171746 899790335 /nfs/dbraw/zinc/79/03/35/899790335.db2.gz GXZDFJOBVCLRBZ-NBHGPNQESA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000484171746 899790345 /nfs/dbraw/zinc/79/03/45/899790345.db2.gz GXZDFJOBVCLRBZ-NBHGPNQESA-N 2 2 408.464 4.119 20 0 HIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CCOCC1)c1ccccc1 ZINC000484182540 899799433 /nfs/dbraw/zinc/79/94/33/899799433.db2.gz WKGSUWPHYIOVBF-LEWJYISDSA-N 2 2 404.558 4.423 20 0 HIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1Br ZINC000484489778 899981124 /nfs/dbraw/zinc/98/11/24/899981124.db2.gz PEGIOSWFHHMMGZ-QKLQHJQFSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Oc1ccccc1Br ZINC000484489778 899981135 /nfs/dbraw/zinc/98/11/35/899981135.db2.gz PEGIOSWFHHMMGZ-QKLQHJQFSA-N 2 2 418.379 4.112 20 0 HIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OCC(F)(F)F)c1 ZINC000484646400 900091394 /nfs/dbraw/zinc/09/13/94/900091394.db2.gz XSYOHWZEURKNKE-PXNSSMCTSA-N 2 2 407.480 4.331 20 0 HIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OCC(F)(F)F)c1 ZINC000484646400 900091404 /nfs/dbraw/zinc/09/14/04/900091404.db2.gz XSYOHWZEURKNKE-PXNSSMCTSA-N 2 2 407.480 4.331 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000485350004 900643126 /nfs/dbraw/zinc/64/31/26/900643126.db2.gz SEOOLMWUALTBPE-ZILOHOTNSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000485350004 900643132 /nfs/dbraw/zinc/64/31/32/900643132.db2.gz SEOOLMWUALTBPE-ZILOHOTNSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000485350004 900643138 /nfs/dbraw/zinc/64/31/38/900643138.db2.gz SEOOLMWUALTBPE-ZILOHOTNSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000485350004 900643144 /nfs/dbraw/zinc/64/31/44/900643144.db2.gz SEOOLMWUALTBPE-ZILOHOTNSA-N 2 2 407.558 4.009 20 0 HIADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486158369 901346349 /nfs/dbraw/zinc/34/63/49/901346349.db2.gz NEOVLHLTZKTAMY-MKXGPGLRSA-N 2 2 424.054 4.301 20 0 HIADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486158369 901346359 /nfs/dbraw/zinc/34/63/59/901346359.db2.gz NEOVLHLTZKTAMY-MKXGPGLRSA-N 2 2 424.054 4.301 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486821217 901875086 /nfs/dbraw/zinc/87/50/86/901875086.db2.gz LUEGHYLKWCTXKK-ROUUACIJSA-N 2 2 423.026 4.292 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486821217 901875088 /nfs/dbraw/zinc/87/50/88/901875088.db2.gz LUEGHYLKWCTXKK-ROUUACIJSA-N 2 2 423.026 4.292 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000488261982 902732722 /nfs/dbraw/zinc/73/27/22/902732722.db2.gz JDOMWRBJWZMPCT-WTNAPCKOSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000488261982 902732733 /nfs/dbraw/zinc/73/27/33/902732733.db2.gz JDOMWRBJWZMPCT-WTNAPCKOSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000488261984 902733143 /nfs/dbraw/zinc/73/31/43/902733143.db2.gz JDOMWRBJWZMPCT-YHYVQYDKSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000488261984 902733150 /nfs/dbraw/zinc/73/31/50/902733150.db2.gz JDOMWRBJWZMPCT-YHYVQYDKSA-N 2 2 421.029 4.380 20 0 HIADLP CN(C(=O)c1cc(F)c2ccccc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489146052 903230707 /nfs/dbraw/zinc/23/07/07/903230707.db2.gz FFZCHAAEHJDYQN-DNQXCXABSA-N 2 2 411.565 4.388 20 0 HIADLP CN(C(=O)c1cc(F)c2ccccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489146052 903230721 /nfs/dbraw/zinc/23/07/21/903230721.db2.gz FFZCHAAEHJDYQN-DNQXCXABSA-N 2 2 411.565 4.388 20 0 HIADLP Cc1ccc2snc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000489146430 903230859 /nfs/dbraw/zinc/23/08/59/903230859.db2.gz GGHYUEPLSXQRPB-WOJBJXKFSA-N 2 2 414.619 4.014 20 0 HIADLP Cc1ccc2snc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000489146430 903230874 /nfs/dbraw/zinc/23/08/74/903230874.db2.gz GGHYUEPLSXQRPB-WOJBJXKFSA-N 2 2 414.619 4.014 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2cccc(C[NH+](C)[C@@H]3CC[N@@H+](CC)[C@H](C)C3)c2)C[C@H]1C ZINC000489251739 903288163 /nfs/dbraw/zinc/28/81/63/903288163.db2.gz FXKOIGBOQHTJQZ-QMWXCIFZSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2cccc(C[NH+](C)[C@@H]3CC[N@H+](CC)[C@H](C)C3)c2)C[C@H]1C ZINC000489251739 903288181 /nfs/dbraw/zinc/28/81/81/903288181.db2.gz FXKOIGBOQHTJQZ-QMWXCIFZSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C[NH+](C)[C@H]3CC[NH+](CC)[C@H](C)C3)c2)C[C@H]1C ZINC000489251739 903288190 /nfs/dbraw/zinc/28/81/90/903288190.db2.gz FXKOIGBOQHTJQZ-QMWXCIFZSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C[NH+](C)[C@H]3CC[NH+](CC)[C@H](C)C3)c2)C[C@H]1C ZINC000489251739 903288205 /nfs/dbraw/zinc/28/82/05/903288205.db2.gz FXKOIGBOQHTJQZ-QMWXCIFZSA-N 4 2 414.682 4.296 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)C[C@H](C)O1 ZINC000490121037 903777391 /nfs/dbraw/zinc/77/73/91/903777391.db2.gz XXOUGMNEHWKOIH-HHJKRLRDSA-N 2 2 422.548 4.048 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)C[C@H](C)O1 ZINC000490121037 903777406 /nfs/dbraw/zinc/77/74/06/903777406.db2.gz XXOUGMNEHWKOIH-HHJKRLRDSA-N 2 2 422.548 4.048 20 0 HIADLP Brc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000490341974 903934071 /nfs/dbraw/zinc/93/40/71/903934071.db2.gz RNXMJOOUMYFHSP-YWZLYKJASA-N 2 2 400.364 4.446 20 0 HIADLP Brc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000490341974 903934086 /nfs/dbraw/zinc/93/40/86/903934086.db2.gz RNXMJOOUMYFHSP-YWZLYKJASA-N 2 2 400.364 4.446 20 0 HIADLP Brc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000490341974 903934110 /nfs/dbraw/zinc/93/41/10/903934110.db2.gz RNXMJOOUMYFHSP-YWZLYKJASA-N 2 2 400.364 4.446 20 0 HIADLP Brc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000490341974 903934127 /nfs/dbraw/zinc/93/41/27/903934127.db2.gz RNXMJOOUMYFHSP-YWZLYKJASA-N 2 2 400.364 4.446 20 0 HIADLP C[C@H]1C[N@H+](CCSc2cc(Cl)ccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490957110 904336564 /nfs/dbraw/zinc/33/65/64/904336564.db2.gz CMAPYXIRHXLSRY-MAUKXSAKSA-N 2 2 402.435 4.043 20 0 HIADLP C[C@H]1C[N@@H+](CCSc2cc(Cl)ccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490957110 904336578 /nfs/dbraw/zinc/33/65/78/904336578.db2.gz CMAPYXIRHXLSRY-MAUKXSAKSA-N 2 2 402.435 4.043 20 0 HIADLP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000491002492 904361219 /nfs/dbraw/zinc/36/12/19/904361219.db2.gz CATHZBDONLIQDE-QFIPXVFZSA-N 2 2 407.936 4.325 20 0 HIADLP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000491002492 904361232 /nfs/dbraw/zinc/36/12/32/904361232.db2.gz CATHZBDONLIQDE-QFIPXVFZSA-N 2 2 407.936 4.325 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000491224790 904490163 /nfs/dbraw/zinc/49/01/63/904490163.db2.gz SMZYTKRVKFBTQE-HSZRJFAPSA-N 2 2 413.525 4.497 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H](c3cnn(C)c3)c3cccc(F)c3)cc2)C[C@H](C)O1 ZINC000491316109 904532566 /nfs/dbraw/zinc/53/25/66/904532566.db2.gz KDAHGVXUKIFEAX-CEYNDMKZSA-N 2 2 422.548 4.048 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H](c3cnn(C)c3)c3cccc(F)c3)cc2)C[C@H](C)O1 ZINC000491316109 904532577 /nfs/dbraw/zinc/53/25/77/904532577.db2.gz KDAHGVXUKIFEAX-CEYNDMKZSA-N 2 2 422.548 4.048 20 0 HIADLP COc1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000491421550 904586324 /nfs/dbraw/zinc/58/63/24/904586324.db2.gz FKTATNXNWVOALU-AREMUKBSSA-N 2 2 402.538 4.407 20 0 HIADLP Cn1cc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2cccc(F)c2)cn1 ZINC000492100265 904799362 /nfs/dbraw/zinc/79/93/62/904799362.db2.gz JGIFKBISVFFJIH-WQYPUDFKSA-N 2 2 404.533 4.434 20 0 HIADLP Cn1cc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2cccc(F)c2)cn1 ZINC000492100265 904799380 /nfs/dbraw/zinc/79/93/80/904799380.db2.gz JGIFKBISVFFJIH-WQYPUDFKSA-N 2 2 404.533 4.434 20 0 HIADLP C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492401378 904844387 /nfs/dbraw/zinc/84/43/87/904844387.db2.gz OTHNIGZSGBSMPS-WMZOPIPTSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492401378 904844389 /nfs/dbraw/zinc/84/43/89/904844389.db2.gz OTHNIGZSGBSMPS-WMZOPIPTSA-N 2 2 413.363 4.097 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1)CCC2 ZINC000493306745 905081692 /nfs/dbraw/zinc/08/16/92/905081692.db2.gz UDYNAHKAULCMPK-GGAORHGYSA-N 2 2 423.582 4.160 20 0 HIADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000493989277 905330883 /nfs/dbraw/zinc/33/08/83/905330883.db2.gz KMFBMOBPIGGWOD-DHIUTWEWSA-N 2 2 400.513 4.412 20 0 HIADLP Brc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1OCc1ccccc1 ZINC000494411109 905700035 /nfs/dbraw/zinc/70/00/35/905700035.db2.gz IFTZMTWQGZBHCH-GOSISDBHSA-N 2 2 412.331 4.329 20 0 HIADLP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494414636 905704123 /nfs/dbraw/zinc/70/41/23/905704123.db2.gz WPEMHTQGOOXFNU-LJQANCHMSA-N 2 2 417.488 4.413 20 0 HIADLP Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494459653 905741510 /nfs/dbraw/zinc/74/15/10/905741510.db2.gz VSQQFMSHKIUKLA-HXUWFJFHSA-N 2 2 403.917 4.494 20 0 HIADLP Cc1nc(COc2ccc(C[NH2+]C[C@]3(C)CCC[N@@H+]3Cc3ccccc3)cc2)no1 ZINC000494485530 905767935 /nfs/dbraw/zinc/76/79/35/905767935.db2.gz SFEAFBUXNOWFAS-DEOSSOPVSA-N 2 2 406.530 4.101 20 0 HIADLP Cc1nc(COc2ccc(C[NH2+]C[C@]3(C)CCC[N@H+]3Cc3ccccc3)cc2)no1 ZINC000494485530 905767944 /nfs/dbraw/zinc/76/79/44/905767944.db2.gz SFEAFBUXNOWFAS-DEOSSOPVSA-N 2 2 406.530 4.101 20 0 HIADLP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494568239 905841160 /nfs/dbraw/zinc/84/11/60/905841160.db2.gz XDTKFKOPLOBERL-XZOQPEGZSA-N 2 2 409.578 4.067 20 0 HIADLP CC(C)c1cnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000494915049 906088887 /nfs/dbraw/zinc/08/88/87/906088887.db2.gz ALJMSJDZYJZLBO-QZTJIDSGSA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)c1cnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000494915049 906088897 /nfs/dbraw/zinc/08/88/97/906088897.db2.gz ALJMSJDZYJZLBO-QZTJIDSGSA-N 2 2 407.628 4.067 20 0 HIADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000494996703 906158554 /nfs/dbraw/zinc/15/85/54/906158554.db2.gz NWIIUYOURGOHDJ-SDUSCBPUSA-N 2 2 412.549 4.174 20 0 HIADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000494996703 906158566 /nfs/dbraw/zinc/15/85/66/906158566.db2.gz NWIIUYOURGOHDJ-SDUSCBPUSA-N 2 2 412.549 4.174 20 0 HIADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000494996705 906159150 /nfs/dbraw/zinc/15/91/50/906159150.db2.gz NWIIUYOURGOHDJ-ZODMCCGTSA-N 2 2 412.549 4.174 20 0 HIADLP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000494996705 906159161 /nfs/dbraw/zinc/15/91/61/906159161.db2.gz NWIIUYOURGOHDJ-ZODMCCGTSA-N 2 2 412.549 4.174 20 0 HIADLP Fc1ccc2oc(C[N@@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2c1 ZINC000512692866 921289682 /nfs/dbraw/zinc/28/96/82/921289682.db2.gz IKGNJTWPHQQEPG-LJQANCHMSA-N 2 2 408.521 4.001 20 0 HIADLP Fc1ccc2oc(C[N@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2c1 ZINC000512692866 921289686 /nfs/dbraw/zinc/28/96/86/921289686.db2.gz IKGNJTWPHQQEPG-LJQANCHMSA-N 2 2 408.521 4.001 20 0 HIADLP COc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+]2CCC[C@H]2c2cccc(OC)c2)c1 ZINC000497758086 907250087 /nfs/dbraw/zinc/25/00/87/907250087.db2.gz IWXNHCVXURJAFK-GCARBXITSA-N 2 2 410.558 4.039 20 0 HIADLP COc1cccc([C@H]2CCC[N@H+]2C[C@H](O)C[NH+]2CCC[C@H]2c2cccc(OC)c2)c1 ZINC000497758086 907250110 /nfs/dbraw/zinc/25/01/10/907250110.db2.gz IWXNHCVXURJAFK-GCARBXITSA-N 2 2 410.558 4.039 20 0 HIADLP COc1cccc([C@H]2CCC[NH+]2C[C@H](O)C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)c1 ZINC000497758086 907250136 /nfs/dbraw/zinc/25/01/36/907250136.db2.gz IWXNHCVXURJAFK-GCARBXITSA-N 2 2 410.558 4.039 20 0 HIADLP COc1cccc([C@H]2CCC[NH+]2C[C@H](O)C[N@H+]2CCC[C@H]2c2cccc(OC)c2)c1 ZINC000497758086 907250151 /nfs/dbraw/zinc/25/01/51/907250151.db2.gz IWXNHCVXURJAFK-GCARBXITSA-N 2 2 410.558 4.039 20 0 HIADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000498600922 908050739 /nfs/dbraw/zinc/05/07/39/908050739.db2.gz XPQPEOGSCWPQFL-UHFFFAOYSA-N 2 2 405.586 4.364 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000498780381 908197288 /nfs/dbraw/zinc/19/72/88/908197288.db2.gz OXQNVLBKABZDRJ-UHFFFAOYSA-N 2 2 419.613 4.065 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000498780381 908197297 /nfs/dbraw/zinc/19/72/97/908197297.db2.gz OXQNVLBKABZDRJ-UHFFFAOYSA-N 2 2 419.613 4.065 20 0 HIADLP FC(F)(F)c1ccc2nnc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n2c1 ZINC000499182292 908535038 /nfs/dbraw/zinc/53/50/38/908535038.db2.gz VJYMFPVLOQJDQD-LDLYASANSA-N 2 2 415.463 4.033 20 0 HIADLP FC(F)(F)c1ccc2nnc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2c1 ZINC000499182292 908535059 /nfs/dbraw/zinc/53/50/59/908535059.db2.gz VJYMFPVLOQJDQD-LDLYASANSA-N 2 2 415.463 4.033 20 0 HIADLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1Br ZINC000500099103 909577885 /nfs/dbraw/zinc/57/78/85/909577885.db2.gz RTCOGEVLIKOZEY-UHFFFAOYSA-N 2 2 402.380 4.291 20 0 HIADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1Br ZINC000500099103 909577902 /nfs/dbraw/zinc/57/79/02/909577902.db2.gz RTCOGEVLIKOZEY-UHFFFAOYSA-N 2 2 402.380 4.291 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000500099600 909579013 /nfs/dbraw/zinc/57/90/13/909579013.db2.gz BNHIZAIWXPHWPV-OYDLWJJNSA-N 2 2 419.573 4.232 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000501337359 910476288 /nfs/dbraw/zinc/47/62/88/910476288.db2.gz ZYSKSQYMWAJLSI-ZLGUVYLKSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000501337359 910476304 /nfs/dbraw/zinc/47/63/04/910476304.db2.gz ZYSKSQYMWAJLSI-ZLGUVYLKSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000501337353 910476332 /nfs/dbraw/zinc/47/63/32/910476332.db2.gz ZYSKSQYMWAJLSI-DQLDELGASA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000501337353 910476337 /nfs/dbraw/zinc/47/63/37/910476337.db2.gz ZYSKSQYMWAJLSI-DQLDELGASA-N 2 2 422.564 4.004 20 0 HIADLP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1[nH]cc[nH+]1)[NH+](C)C ZINC000502095639 911033137 /nfs/dbraw/zinc/03/31/37/911033137.db2.gz HSSPPSQKECBSQH-GOSISDBHSA-N 2 2 411.377 4.264 20 0 HIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000513223886 921638710 /nfs/dbraw/zinc/63/87/10/921638710.db2.gz OQYMXSNTESXNEW-GOSISDBHSA-N 2 2 401.514 4.049 20 0 HIADLP Fc1ccc(CN2CCC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)c(Cl)c1 ZINC000513233960 921646488 /nfs/dbraw/zinc/64/64/88/921646488.db2.gz QFFDAJMKOJXAME-FQEVSTJZSA-N 2 2 402.945 4.097 20 0 HIADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502345096 911324730 /nfs/dbraw/zinc/32/47/30/911324730.db2.gz KFGBWOMOIGGUNE-HNNXBMFYSA-N 2 2 404.352 4.370 20 0 HIADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502345096 911324741 /nfs/dbraw/zinc/32/47/41/911324741.db2.gz KFGBWOMOIGGUNE-HNNXBMFYSA-N 2 2 404.352 4.370 20 0 HIADLP CC1CC[NH+](C2CCC(NC(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CC2)CC1 ZINC000502876772 911878438 /nfs/dbraw/zinc/87/84/38/911878438.db2.gz RLJDVPUWFHWRIP-UHFFFAOYSA-N 2 2 419.639 4.294 20 0 HIADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c2cccs2)cc1 ZINC000503053301 912016797 /nfs/dbraw/zinc/01/67/97/912016797.db2.gz OKFXBKFEZMOGMF-NOXFTYBFSA-N 2 2 408.571 4.042 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503070809 912037756 /nfs/dbraw/zinc/03/77/56/912037756.db2.gz DNSOAUXKKGRAMO-WBMJQRKESA-N 2 2 400.832 4.077 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503070809 912037773 /nfs/dbraw/zinc/03/77/73/912037773.db2.gz DNSOAUXKKGRAMO-WBMJQRKESA-N 2 2 400.832 4.077 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503074877 912042941 /nfs/dbraw/zinc/04/29/41/912042941.db2.gz SXHDYTHSHAKENS-OFVILXPXSA-N 2 2 416.569 4.104 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)NCCC(c2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503074877 912042961 /nfs/dbraw/zinc/04/29/61/912042961.db2.gz SXHDYTHSHAKENS-OFVILXPXSA-N 2 2 416.569 4.104 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000503075858 912045650 /nfs/dbraw/zinc/04/56/50/912045650.db2.gz RLBPUVRWGBHLDT-XMDUPGNXSA-N 2 2 409.361 4.339 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000503075858 912045659 /nfs/dbraw/zinc/04/56/59/912045659.db2.gz RLBPUVRWGBHLDT-XMDUPGNXSA-N 2 2 409.361 4.339 20 0 HIADLP CC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000506645136 915314228 /nfs/dbraw/zinc/31/42/28/915314228.db2.gz HHMQBQRLFYMJFS-UHFFFAOYSA-N 2 2 404.558 4.464 20 0 HIADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000506645136 915314250 /nfs/dbraw/zinc/31/42/50/915314250.db2.gz HHMQBQRLFYMJFS-UHFFFAOYSA-N 2 2 404.558 4.464 20 0 HIADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507086420 915860716 /nfs/dbraw/zinc/86/07/16/915860716.db2.gz HOYZWZCIUYUBHZ-QFIPXVFZSA-N 2 2 423.605 4.149 20 0 HIADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507086420 915860719 /nfs/dbraw/zinc/86/07/19/915860719.db2.gz HOYZWZCIUYUBHZ-QFIPXVFZSA-N 2 2 423.605 4.149 20 0 HIADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000507931224 916805463 /nfs/dbraw/zinc/80/54/63/916805463.db2.gz RICGIUPCJWVVLB-NRFANRHFSA-N 2 2 422.491 4.042 20 0 HIADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000507931224 916805465 /nfs/dbraw/zinc/80/54/65/916805465.db2.gz RICGIUPCJWVVLB-NRFANRHFSA-N 2 2 422.491 4.042 20 0 HIADLP c1cn(-c2ccc(C[NH2+]C3CCN(Cc4coc(-c5ccccc5)n4)CC3)cc2)c[nH+]1 ZINC000508065213 916888809 /nfs/dbraw/zinc/88/88/09/916888809.db2.gz SLPXEMYKBYEOTN-UHFFFAOYSA-N 2 2 413.525 4.282 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000508619990 917387356 /nfs/dbraw/zinc/38/73/56/917387356.db2.gz ICAQITGRNIOWDL-FQEVSTJZSA-N 2 2 412.541 4.123 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000508619990 917387365 /nfs/dbraw/zinc/38/73/65/917387365.db2.gz ICAQITGRNIOWDL-FQEVSTJZSA-N 2 2 412.541 4.123 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000508631534 917395760 /nfs/dbraw/zinc/39/57/60/917395760.db2.gz QOLIMCUYYDHVNV-QGZVFWFLSA-N 2 2 403.452 4.079 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000508631534 917395781 /nfs/dbraw/zinc/39/57/81/917395781.db2.gz QOLIMCUYYDHVNV-QGZVFWFLSA-N 2 2 403.452 4.079 20 0 HIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000508692175 917454737 /nfs/dbraw/zinc/45/47/37/917454737.db2.gz UWBTWCPYMWRZPS-FQEVSTJZSA-N 2 2 411.981 4.390 20 0 HIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000508692175 917454739 /nfs/dbraw/zinc/45/47/39/917454739.db2.gz UWBTWCPYMWRZPS-FQEVSTJZSA-N 2 2 411.981 4.390 20 0 HIADLP Fc1ccc2nc([C@H]3CCC[N@H+](CCC[NH+]4CCN(c5ccccc5)CC4)C3)oc2c1 ZINC000508978594 917731690 /nfs/dbraw/zinc/73/16/90/917731690.db2.gz OOHGMSSYBJJBPB-FQEVSTJZSA-N 2 2 422.548 4.359 20 0 HIADLP Fc1ccc2nc([C@H]3CCC[N@@H+](CCC[NH+]4CCN(c5ccccc5)CC4)C3)oc2c1 ZINC000508978594 917731702 /nfs/dbraw/zinc/73/17/02/917731702.db2.gz OOHGMSSYBJJBPB-FQEVSTJZSA-N 2 2 422.548 4.359 20 0 HIADLP COc1ccc([C@@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+]2CCCCC2)cc1 ZINC000510183565 918734080 /nfs/dbraw/zinc/73/40/80/918734080.db2.gz VGGANPQRZMWNPJ-XMMPIXPASA-N 2 2 418.541 4.146 20 0 HIADLP FC(F)Cn1cc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000510797599 919266910 /nfs/dbraw/zinc/26/69/10/919266910.db2.gz PGYHIGUGDLYAGY-UHFFFAOYSA-N 2 2 407.468 4.350 20 0 HIADLP Fc1cccc(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1F ZINC000510952925 919485770 /nfs/dbraw/zinc/48/57/70/919485770.db2.gz PPXBPXQDFSSPTK-UHFFFAOYSA-N 2 2 410.262 4.262 20 0 HIADLP Fc1cccc(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1F ZINC000510952925 919485793 /nfs/dbraw/zinc/48/57/93/919485793.db2.gz PPXBPXQDFSSPTK-UHFFFAOYSA-N 2 2 410.262 4.262 20 0 HIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000510952585 919486076 /nfs/dbraw/zinc/48/60/76/919486076.db2.gz RPULQPVDFOQOCE-VGSWGCGISA-N 2 2 418.578 4.181 20 0 HIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000510952585 919486097 /nfs/dbraw/zinc/48/60/97/919486097.db2.gz RPULQPVDFOQOCE-VGSWGCGISA-N 2 2 418.578 4.181 20 0 HIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000510952584 919486957 /nfs/dbraw/zinc/48/69/57/919486957.db2.gz RPULQPVDFOQOCE-VGOFRKELSA-N 2 2 418.578 4.181 20 0 HIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000510952584 919486964 /nfs/dbraw/zinc/48/69/64/919486964.db2.gz RPULQPVDFOQOCE-VGOFRKELSA-N 2 2 418.578 4.181 20 0 HIADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000511007355 919567493 /nfs/dbraw/zinc/56/74/93/919567493.db2.gz BCKNETGTEUBLBO-XMSQKQJNSA-N 2 2 400.588 4.041 20 0 HIADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000511007355 919567508 /nfs/dbraw/zinc/56/75/08/919567508.db2.gz BCKNETGTEUBLBO-XMSQKQJNSA-N 2 2 400.588 4.041 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2nc3c(s2)C[NH+](C)CC3)c1 ZINC000511149754 919770955 /nfs/dbraw/zinc/77/09/55/919770955.db2.gz DLHVKXCBYSPWRJ-UHFFFAOYSA-N 2 2 406.555 4.015 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2nc3c(s2)C[NH+](C)CC3)c1 ZINC000511149754 919770962 /nfs/dbraw/zinc/77/09/62/919770962.db2.gz DLHVKXCBYSPWRJ-UHFFFAOYSA-N 2 2 406.555 4.015 20 0 HIADLP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000511149754 919770975 /nfs/dbraw/zinc/77/09/75/919770975.db2.gz DLHVKXCBYSPWRJ-UHFFFAOYSA-N 2 2 406.555 4.015 20 0 HIADLP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000511149754 919770986 /nfs/dbraw/zinc/77/09/86/919770986.db2.gz DLHVKXCBYSPWRJ-UHFFFAOYSA-N 2 2 406.555 4.015 20 0 HIADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)sc1Br ZINC000512004139 920772957 /nfs/dbraw/zinc/77/29/57/920772957.db2.gz COPDZOCFOXAORY-BEFAXECRSA-N 2 2 409.393 4.107 20 0 HIADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)sc1Br ZINC000512004139 920772978 /nfs/dbraw/zinc/77/29/78/920772978.db2.gz COPDZOCFOXAORY-BEFAXECRSA-N 2 2 409.393 4.107 20 0 HIADLP FC(F)(F)c1ccc(-n2cc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)cn2)cc1 ZINC000512128288 920877364 /nfs/dbraw/zinc/87/73/64/920877364.db2.gz GKSCQELOSKNFFV-UHFFFAOYSA-N 2 2 411.431 4.426 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512257781 921016280 /nfs/dbraw/zinc/01/62/80/921016280.db2.gz DAHUZKFTQJEFOT-QFZWGZQFSA-N 2 2 423.626 4.398 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512257781 921016297 /nfs/dbraw/zinc/01/62/97/921016297.db2.gz DAHUZKFTQJEFOT-QFZWGZQFSA-N 2 2 423.626 4.398 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512257781 921016311 /nfs/dbraw/zinc/01/63/11/921016311.db2.gz DAHUZKFTQJEFOT-QFZWGZQFSA-N 2 2 423.626 4.398 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512257781 921016327 /nfs/dbraw/zinc/01/63/27/921016327.db2.gz DAHUZKFTQJEFOT-QFZWGZQFSA-N 2 2 423.626 4.398 20 0 HIADLP Clc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-n2cncn2)c1 ZINC000512284973 921038570 /nfs/dbraw/zinc/03/85/70/921038570.db2.gz FAPYMNMPLCKMBY-HSZRJFAPSA-N 2 2 407.949 4.019 20 0 HIADLP Clc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-n2cncn2)c1 ZINC000512284973 921038573 /nfs/dbraw/zinc/03/85/73/921038573.db2.gz FAPYMNMPLCKMBY-HSZRJFAPSA-N 2 2 407.949 4.019 20 0 HIADLP Clc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(-n2cncn2)c1 ZINC000512284973 921038579 /nfs/dbraw/zinc/03/85/79/921038579.db2.gz FAPYMNMPLCKMBY-HSZRJFAPSA-N 2 2 407.949 4.019 20 0 HIADLP Clc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(-n2cncn2)c1 ZINC000512284973 921038588 /nfs/dbraw/zinc/03/85/88/921038588.db2.gz FAPYMNMPLCKMBY-HSZRJFAPSA-N 2 2 407.949 4.019 20 0 HIADLP O=C(c1cccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1)N1CCCCC1 ZINC000512287743 921042340 /nfs/dbraw/zinc/04/23/40/921042340.db2.gz VXBACUUAIYYRPD-MHZLTWQESA-N 2 2 417.597 4.411 20 0 HIADLP O=C(c1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1)N1CCCCC1 ZINC000512287743 921042360 /nfs/dbraw/zinc/04/23/60/921042360.db2.gz VXBACUUAIYYRPD-MHZLTWQESA-N 2 2 417.597 4.411 20 0 HIADLP O=C(c1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1)N1CCCCC1 ZINC000512287743 921042374 /nfs/dbraw/zinc/04/23/74/921042374.db2.gz VXBACUUAIYYRPD-MHZLTWQESA-N 2 2 417.597 4.411 20 0 HIADLP O=C(c1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1)N1CCCCC1 ZINC000512287743 921042397 /nfs/dbraw/zinc/04/23/97/921042397.db2.gz VXBACUUAIYYRPD-MHZLTWQESA-N 2 2 417.597 4.411 20 0 HIADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000514234026 922572676 /nfs/dbraw/zinc/57/26/76/922572676.db2.gz IRBSMFLSFUVVLG-UXHICEINSA-N 2 2 408.464 4.433 20 0 HIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@H](C)c1cc2c(C)nn(C)c2s1)c1ccccc1 ZINC000515688701 923272090 /nfs/dbraw/zinc/27/20/90/923272090.db2.gz WIUKTWAESKQEEJ-YLJYHZDGSA-N 2 2 400.592 4.303 20 0 HIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H](C)c1cc2c(C)nn(C)c2s1)c1ccccc1 ZINC000515688701 923272112 /nfs/dbraw/zinc/27/21/12/923272112.db2.gz WIUKTWAESKQEEJ-YLJYHZDGSA-N 2 2 400.592 4.303 20 0 HIADLP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000517604655 926713426 /nfs/dbraw/zinc/71/34/26/926713426.db2.gz JQMGTWNSFRMLPT-HSZRJFAPSA-N 2 2 422.960 4.369 20 0 HIADLP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000517604655 926713432 /nfs/dbraw/zinc/71/34/32/926713432.db2.gz JQMGTWNSFRMLPT-HSZRJFAPSA-N 2 2 422.960 4.369 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000517686640 926790043 /nfs/dbraw/zinc/79/00/43/926790043.db2.gz DNYQHNYRYFWGSI-HXUWFJFHSA-N 2 2 417.557 4.246 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000517686640 926790056 /nfs/dbraw/zinc/79/00/56/926790056.db2.gz DNYQHNYRYFWGSI-HXUWFJFHSA-N 2 2 417.557 4.246 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000519198572 927823235 /nfs/dbraw/zinc/82/32/35/927823235.db2.gz MOAVNKFNQCGIMG-VWLOTQADSA-N 2 2 422.617 4.028 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000519198572 927823236 /nfs/dbraw/zinc/82/32/36/927823236.db2.gz MOAVNKFNQCGIMG-VWLOTQADSA-N 2 2 422.617 4.028 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000519205419 927827225 /nfs/dbraw/zinc/82/72/25/927827225.db2.gz YXISTAIWDANOOY-JOCHJYFZSA-N 2 2 421.029 4.239 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000519205419 927827234 /nfs/dbraw/zinc/82/72/34/927827234.db2.gz YXISTAIWDANOOY-JOCHJYFZSA-N 2 2 421.029 4.239 20 0 HIADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000519206021 927827345 /nfs/dbraw/zinc/82/73/45/927827345.db2.gz JNCKESCGVRSEJB-XLIONFOSSA-N 2 2 424.992 4.036 20 0 HIADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000519206021 927827347 /nfs/dbraw/zinc/82/73/47/927827347.db2.gz JNCKESCGVRSEJB-XLIONFOSSA-N 2 2 424.992 4.036 20 0 HIADLP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000520919990 928875046 /nfs/dbraw/zinc/87/50/46/928875046.db2.gz GAPWLXWCGTUMQA-UHFFFAOYSA-N 2 2 420.384 4.449 20 0 HIADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000520956188 928888460 /nfs/dbraw/zinc/88/84/60/928888460.db2.gz FIGVQGZPYKVDDW-NHCUHLMSSA-N 2 2 404.558 4.128 20 0 HIADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 ZINC000520956189 928888792 /nfs/dbraw/zinc/88/87/92/928888792.db2.gz FIGVQGZPYKVDDW-OYRHEFFESA-N 2 2 404.558 4.128 20 0 HIADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 ZINC000520956189 928888800 /nfs/dbraw/zinc/88/88/00/928888800.db2.gz FIGVQGZPYKVDDW-OYRHEFFESA-N 2 2 404.558 4.128 20 0 HIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521197324 929056574 /nfs/dbraw/zinc/05/65/74/929056574.db2.gz GRFWCGJXFRLSFM-INIZCTEOSA-N 2 2 421.372 4.120 20 0 HIADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521197324 929056582 /nfs/dbraw/zinc/05/65/82/929056582.db2.gz GRFWCGJXFRLSFM-INIZCTEOSA-N 2 2 421.372 4.120 20 0 HIADLP COCCC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2Br)C(C)C)CC1 ZINC000521695095 929371464 /nfs/dbraw/zinc/37/14/64/929371464.db2.gz FRKLTYJUDHZNHV-FQEVSTJZSA-N 2 2 413.400 4.245 20 0 HIADLP O[C@]1(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000525461214 930254436 /nfs/dbraw/zinc/25/44/36/930254436.db2.gz JKYKELOIBGFOMB-DEOSSOPVSA-N 2 2 412.480 4.168 20 0 HIADLP O[C@]1(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461214 930254445 /nfs/dbraw/zinc/25/44/45/930254445.db2.gz JKYKELOIBGFOMB-DEOSSOPVSA-N 2 2 412.480 4.168 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000531084386 930914546 /nfs/dbraw/zinc/91/45/46/930914546.db2.gz IRRODCRGAUKMLP-AREMUKBSSA-N 2 2 414.553 4.060 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000531084386 930914553 /nfs/dbraw/zinc/91/45/53/930914553.db2.gz IRRODCRGAUKMLP-AREMUKBSSA-N 2 2 414.553 4.060 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)cc2)CC1 ZINC000531682131 931149537 /nfs/dbraw/zinc/14/95/37/931149537.db2.gz YUQRYTURDRCROU-NRFANRHFSA-N 3 2 417.601 4.169 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3sccc3Br)cc2)CC1 ZINC000531682421 931150709 /nfs/dbraw/zinc/15/07/09/931150709.db2.gz VPXOKZCDFFTROY-INIZCTEOSA-N 2 2 422.436 4.499 20 0 HIADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCOCC1 ZINC000531685754 931151527 /nfs/dbraw/zinc/15/15/27/931151527.db2.gz WJDMGKRRZSMJGZ-NRFANRHFSA-N 2 2 413.528 4.012 20 0 HIADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531686556 931152018 /nfs/dbraw/zinc/15/20/18/931152018.db2.gz ONGWWWCMORFQOW-GOSISDBHSA-N 2 2 410.949 4.112 20 0 HIADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000531711935 931169986 /nfs/dbraw/zinc/16/99/86/931169986.db2.gz SQIOJAWIDWHENH-OAQYLSRUSA-N 2 2 411.977 4.199 20 0 HIADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000531711935 931169989 /nfs/dbraw/zinc/16/99/89/931169989.db2.gz SQIOJAWIDWHENH-OAQYLSRUSA-N 2 2 411.977 4.199 20 0 HIADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000531758890 931185253 /nfs/dbraw/zinc/18/52/53/931185253.db2.gz VXSHLBRCVPDXPM-WOJBJXKFSA-N 2 2 419.363 4.177 20 0 HIADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000532015972 931285629 /nfs/dbraw/zinc/28/56/29/931285629.db2.gz KJGNSGMJKIQFRD-UXHICEINSA-N 2 2 408.464 4.433 20 0 HIADLP Fc1cccc(Cl)c1[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)N1CCCC1 ZINC000532198082 931346487 /nfs/dbraw/zinc/34/64/87/931346487.db2.gz XXRMAPMHKBNGNN-HXUWFJFHSA-N 2 2 402.945 4.270 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC000532461230 931445770 /nfs/dbraw/zinc/44/57/70/931445770.db2.gz BRAGNURPVUJDAB-WTIAFYNJSA-N 2 2 408.030 4.204 20 0 HIADLP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC000532461230 931445773 /nfs/dbraw/zinc/44/57/73/931445773.db2.gz BRAGNURPVUJDAB-WTIAFYNJSA-N 2 2 408.030 4.204 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000532461742 931445798 /nfs/dbraw/zinc/44/57/98/931445798.db2.gz QNXDIZZOTZSHDW-YGOYIFOWSA-N 2 2 413.009 4.372 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000532461742 931445803 /nfs/dbraw/zinc/44/58/03/931445803.db2.gz QNXDIZZOTZSHDW-YGOYIFOWSA-N 2 2 413.009 4.372 20 0 HIADLP COc1cc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OCc1ccncc1 ZINC000532475896 931453641 /nfs/dbraw/zinc/45/36/41/931453641.db2.gz ONWZNCINPAIXBW-IBGZPJMESA-N 2 2 418.541 4.384 20 0 HIADLP Cc1cccc(Cc2cnc(NC(=O)C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)s2)c1 ZINC000532536933 931514309 /nfs/dbraw/zinc/51/43/09/931514309.db2.gz XATDPYZPBIKJSE-UHFFFAOYSA-N 2 2 414.619 4.033 20 0 HIADLP Cc1cccc(Cc2cnc(NC(=O)C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)s2)c1 ZINC000532536933 931514322 /nfs/dbraw/zinc/51/43/22/931514322.db2.gz XATDPYZPBIKJSE-UHFFFAOYSA-N 2 2 414.619 4.033 20 0 HIADLP CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532732602 931616340 /nfs/dbraw/zinc/61/63/40/931616340.db2.gz PDCMWLQPDWIOAQ-FQEVSTJZSA-N 2 2 417.642 4.092 20 0 HIADLP CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532732602 931616342 /nfs/dbraw/zinc/61/63/42/931616342.db2.gz PDCMWLQPDWIOAQ-FQEVSTJZSA-N 2 2 417.642 4.092 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000533478757 931879314 /nfs/dbraw/zinc/87/93/14/931879314.db2.gz ARYICDNUJGHORB-INIZCTEOSA-N 2 2 402.970 4.465 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 ZINC000533478757 931879316 /nfs/dbraw/zinc/87/93/16/931879316.db2.gz ARYICDNUJGHORB-INIZCTEOSA-N 2 2 402.970 4.465 20 0 HIADLP CN(C(=O)Nc1nc2ccccc2s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533640794 931940020 /nfs/dbraw/zinc/94/00/20/931940020.db2.gz ZGYYWBBKCGECQS-MOPGFXCFSA-N 2 2 415.607 4.097 20 0 HIADLP CN(C(=O)Nc1nc2ccccc2s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533640794 931940024 /nfs/dbraw/zinc/94/00/24/931940024.db2.gz ZGYYWBBKCGECQS-MOPGFXCFSA-N 2 2 415.607 4.097 20 0 HIADLP CC(C)COc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647446 931943302 /nfs/dbraw/zinc/94/33/02/931943302.db2.gz ACCHMMFQHFDSOI-BJKOFHAPSA-N 2 2 415.622 4.131 20 0 HIADLP CC(C)COc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647446 931943307 /nfs/dbraw/zinc/94/33/07/931943307.db2.gz ACCHMMFQHFDSOI-BJKOFHAPSA-N 2 2 415.622 4.131 20 0 HIADLP Cc1ccc([C@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[NH+](C)C)cc1 ZINC000533882378 932079490 /nfs/dbraw/zinc/07/94/90/932079490.db2.gz ZUWVWFWKOXVIOM-QHCPKHFHSA-N 2 2 415.541 4.335 20 0 HIADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000534058486 932236945 /nfs/dbraw/zinc/23/69/45/932236945.db2.gz CJWRISIGCRMYOA-FQEVSTJZSA-N 2 2 419.338 4.198 20 0 HIADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534128572 932292827 /nfs/dbraw/zinc/29/28/27/932292827.db2.gz LWHDHNBIYBZGFU-QHCPKHFHSA-N 2 2 422.573 4.110 20 0 HIADLP CCOc1cc(F)ccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534195754 932325886 /nfs/dbraw/zinc/32/58/86/932325886.db2.gz QOGRWYAWKIJIGB-RTWAWAEBSA-N 2 2 420.573 4.025 20 0 HIADLP CCOc1cc(F)ccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534195754 932325896 /nfs/dbraw/zinc/32/58/96/932325896.db2.gz QOGRWYAWKIJIGB-RTWAWAEBSA-N 2 2 420.573 4.025 20 0 HIADLP Cc1c(Cl)cccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213680 932336017 /nfs/dbraw/zinc/33/60/17/932336017.db2.gz WJNCLMIUBZSWEB-NHCUHLMSSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1c(Cl)cccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213680 932336025 /nfs/dbraw/zinc/33/60/25/932336025.db2.gz WJNCLMIUBZSWEB-NHCUHLMSSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1[nH+]ccn1CCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000534243771 932361670 /nfs/dbraw/zinc/36/16/70/932361670.db2.gz FKVUYKKNNOQMJW-CQSZACIVSA-N 2 2 404.971 4.231 20 0 HIADLP Cc1cc2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)oc2cc1C ZINC000534358399 932392376 /nfs/dbraw/zinc/39/23/76/932392376.db2.gz JTHHXSOPHPYOHP-FGZHOGPDSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1cc2cc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)oc2cc1C ZINC000534358399 932392382 /nfs/dbraw/zinc/39/23/82/932392382.db2.gz JTHHXSOPHPYOHP-FGZHOGPDSA-N 2 2 411.590 4.459 20 0 HIADLP CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359919 932394365 /nfs/dbraw/zinc/39/43/65/932394365.db2.gz KIHWIBXXHSCRSL-ACESQOTJSA-N 2 2 418.025 4.239 20 0 HIADLP CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359919 932394372 /nfs/dbraw/zinc/39/43/72/932394372.db2.gz KIHWIBXXHSCRSL-ACESQOTJSA-N 2 2 418.025 4.239 20 0 HIADLP CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361234 932394728 /nfs/dbraw/zinc/39/47/28/932394728.db2.gz WAUIOFDJGDNPQM-PMACEKPBSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361234 932394734 /nfs/dbraw/zinc/39/47/34/932394734.db2.gz WAUIOFDJGDNPQM-PMACEKPBSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361235 932395239 /nfs/dbraw/zinc/39/52/39/932395239.db2.gz WAUIOFDJGDNPQM-UXHICEINSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361235 932395248 /nfs/dbraw/zinc/39/52/48/932395248.db2.gz WAUIOFDJGDNPQM-UXHICEINSA-N 2 2 411.512 4.115 20 0 HIADLP Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534385552 932411362 /nfs/dbraw/zinc/41/13/62/932411362.db2.gz WQLZAAHFUUFBFF-PMOQBDJRSA-N 2 2 400.611 4.035 20 0 HIADLP Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534385552 932411366 /nfs/dbraw/zinc/41/13/66/932411366.db2.gz WQLZAAHFUUFBFF-PMOQBDJRSA-N 2 2 400.611 4.035 20 0 HIADLP C[N@@H+]1CCC[C@@H]1CCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000534605513 932590010 /nfs/dbraw/zinc/59/00/10/932590010.db2.gz QTMBCACUTONKPA-QGZVFWFLSA-N 2 2 405.999 4.093 20 0 HIADLP C[N@H+]1CCC[C@@H]1CCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000534605513 932590016 /nfs/dbraw/zinc/59/00/16/932590016.db2.gz QTMBCACUTONKPA-QGZVFWFLSA-N 2 2 405.999 4.093 20 0 HIADLP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534862454 932812132 /nfs/dbraw/zinc/81/21/32/932812132.db2.gz JFJINUNZCBKCPG-HSZRJFAPSA-N 2 2 403.526 4.065 20 0 HIADLP CN(C(=O)CCc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093585 932905851 /nfs/dbraw/zinc/90/58/51/932905851.db2.gz DIODROCCHRETCN-FCHUYYIVSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093585 932905868 /nfs/dbraw/zinc/90/58/68/932905868.db2.gz DIODROCCHRETCN-FCHUYYIVSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096568 932913183 /nfs/dbraw/zinc/91/31/83/932913183.db2.gz SLAVCJSMMHWYCP-VQTJNVASSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096568 932913191 /nfs/dbraw/zinc/91/31/91/932913191.db2.gz SLAVCJSMMHWYCP-VQTJNVASSA-N 2 2 412.405 4.403 20 0 HIADLP Cc1cccc2c(CCC(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535097657 932914562 /nfs/dbraw/zinc/91/45/62/932914562.db2.gz XXAHMQZCEDVKEB-ZEQRLZLVSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1cccc2c(CCC(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535097657 932914563 /nfs/dbraw/zinc/91/45/63/932914563.db2.gz XXAHMQZCEDVKEB-ZEQRLZLVSA-N 2 2 424.633 4.205 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000535327699 933075756 /nfs/dbraw/zinc/07/57/56/933075756.db2.gz QIAPDLMBCFFYMV-AUSIDOKSSA-N 2 2 417.557 4.082 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000535327699 933075764 /nfs/dbraw/zinc/07/57/64/933075764.db2.gz QIAPDLMBCFFYMV-AUSIDOKSSA-N 2 2 417.557 4.082 20 0 HIADLP CN(C(=O)c1cccc(-c2ccoc2)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535634981 933277257 /nfs/dbraw/zinc/27/72/57/933277257.db2.gz FUJPLNXPDMORPG-BJKOFHAPSA-N 2 2 409.574 4.356 20 0 HIADLP CN(C(=O)c1cccc(-c2ccoc2)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535634981 933277263 /nfs/dbraw/zinc/27/72/63/933277263.db2.gz FUJPLNXPDMORPG-BJKOFHAPSA-N 2 2 409.574 4.356 20 0 HIADLP CO[C@H](C)c1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535653537 933297160 /nfs/dbraw/zinc/29/71/60/933297160.db2.gz BJKNKNRRFXGYHK-YFXJRYMSSA-N 2 2 416.610 4.195 20 0 HIADLP CO[C@H](C)c1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535653537 933297169 /nfs/dbraw/zinc/29/71/69/933297169.db2.gz BJKNKNRRFXGYHK-YFXJRYMSSA-N 2 2 416.610 4.195 20 0 HIADLP Cc1nc(-c2ccccc2)oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849678 933431955 /nfs/dbraw/zinc/43/19/55/933431955.db2.gz MBIVUGPZLIXUHD-YADHBBJMSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1nc(-c2ccccc2)oc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849678 933431960 /nfs/dbraw/zinc/43/19/60/933431960.db2.gz MBIVUGPZLIXUHD-YADHBBJMSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849840 933432278 /nfs/dbraw/zinc/43/22/78/933432278.db2.gz USNCILDOMAYSKB-RPWUZVMVSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849840 933432295 /nfs/dbraw/zinc/43/22/95/933432295.db2.gz USNCILDOMAYSKB-RPWUZVMVSA-N 2 2 410.606 4.194 20 0 HIADLP CN(C(=O)c1cc2cc(F)ccc2s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851821 933435796 /nfs/dbraw/zinc/43/57/96/933435796.db2.gz RONXPPNKOLCKMT-WOJBJXKFSA-N 2 2 417.594 4.450 20 0 HIADLP CN(C(=O)c1cc2cc(F)ccc2s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851821 933435797 /nfs/dbraw/zinc/43/57/97/933435797.db2.gz RONXPPNKOLCKMT-WOJBJXKFSA-N 2 2 417.594 4.450 20 0 HIADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(Br)ccc1F ZINC000537455657 933780863 /nfs/dbraw/zinc/78/08/63/933780863.db2.gz JIYUYMGUNAVMDX-XJKSGUPXSA-N 2 2 407.331 4.297 20 0 HIADLP COC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000537456795 933781529 /nfs/dbraw/zinc/78/15/29/933781529.db2.gz YDRAJKWGPUPKGG-RTBURBONSA-N 2 2 408.468 4.040 20 0 HIADLP COC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000537456794 933782062 /nfs/dbraw/zinc/78/20/62/933782062.db2.gz YDRAJKWGPUPKGG-RBUKOAKNSA-N 2 2 408.468 4.040 20 0 HIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000537457120 933782086 /nfs/dbraw/zinc/78/20/86/933782086.db2.gz GGGGHPUUSCKKGW-QAPCUYQASA-N 2 2 408.468 4.336 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2cccs2)s1 ZINC000537622736 938337430 /nfs/dbraw/zinc/33/74/30/938337430.db2.gz JKAGUSHOSJCYII-UHFFFAOYSA-N 3 2 418.676 4.500 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2cccs2)s1 ZINC000537622736 938337436 /nfs/dbraw/zinc/33/74/36/938337436.db2.gz JKAGUSHOSJCYII-UHFFFAOYSA-N 3 2 418.676 4.500 20 0 HIADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000538044753 938479986 /nfs/dbraw/zinc/47/99/86/938479986.db2.gz HUJPYBGZNHBUQY-IYBDPMFKSA-N 2 2 401.378 4.084 20 0 HIADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000538044753 938479994 /nfs/dbraw/zinc/47/99/94/938479994.db2.gz HUJPYBGZNHBUQY-IYBDPMFKSA-N 2 2 401.378 4.084 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538053804 938486020 /nfs/dbraw/zinc/48/60/20/938486020.db2.gz DSIKQFWOYNEWSJ-LEWJYISDSA-N 2 2 424.992 4.034 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538053804 938486031 /nfs/dbraw/zinc/48/60/31/938486031.db2.gz DSIKQFWOYNEWSJ-LEWJYISDSA-N 2 2 424.992 4.034 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538053807 938486370 /nfs/dbraw/zinc/48/63/70/938486370.db2.gz DSIKQFWOYNEWSJ-SFTDATJTSA-N 2 2 424.992 4.034 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538053807 938486375 /nfs/dbraw/zinc/48/63/75/938486375.db2.gz DSIKQFWOYNEWSJ-SFTDATJTSA-N 2 2 424.992 4.034 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054960 938487530 /nfs/dbraw/zinc/48/75/30/938487530.db2.gz ZHGGZPBMLLSKFV-WOJBJXKFSA-N 2 2 424.992 4.177 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538054960 938487531 /nfs/dbraw/zinc/48/75/31/938487531.db2.gz ZHGGZPBMLLSKFV-WOJBJXKFSA-N 2 2 424.992 4.177 20 0 HIADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)oc21 ZINC000538395056 938609969 /nfs/dbraw/zinc/60/99/69/938609969.db2.gz XHEFIBJENAUTSC-VLCRHTCISA-N 2 2 408.542 4.365 20 0 HIADLP CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)oc21 ZINC000538395056 938609971 /nfs/dbraw/zinc/60/99/71/938609971.db2.gz XHEFIBJENAUTSC-VLCRHTCISA-N 2 2 408.542 4.365 20 0 HIADLP CCN(CC)C(=O)Nc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000538557255 938648387 /nfs/dbraw/zinc/64/83/87/938648387.db2.gz IVGMKQWEFXAZNI-AVRDEDQJSA-N 2 2 424.593 4.269 20 0 HIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1Br ZINC000538557314 938648487 /nfs/dbraw/zinc/64/84/87/938648487.db2.gz JRYJAFHWGVLGCJ-CZUORRHYSA-N 2 2 407.331 4.297 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4c3c(Br)ccc4F)[nH+]c2)C1 ZINC000538556388 938648560 /nfs/dbraw/zinc/64/85/60/938648560.db2.gz AOWUHZNOJVBBLE-KBXCAEBGSA-N 2 2 419.342 4.223 20 0 HIADLP CC[N@H+](CCC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1)CC(C)C ZINC000539179120 938816436 /nfs/dbraw/zinc/81/64/36/938816436.db2.gz VHFFWKWGDVYSHE-UHFFFAOYSA-N 2 2 411.594 4.162 20 0 HIADLP CC[N@@H+](CCC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1)CC(C)C ZINC000539179120 938816437 /nfs/dbraw/zinc/81/64/37/938816437.db2.gz VHFFWKWGDVYSHE-UHFFFAOYSA-N 2 2 411.594 4.162 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1nc2ccc(Cl)cc2n1C ZINC000539203814 938818707 /nfs/dbraw/zinc/81/87/07/938818707.db2.gz ZFRZOIWDMUOKEL-IRXDYDNUSA-N 2 2 412.965 4.298 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1nc2ccc(Cl)cc2n1C ZINC000539203814 938818709 /nfs/dbraw/zinc/81/87/09/938818709.db2.gz ZFRZOIWDMUOKEL-IRXDYDNUSA-N 2 2 412.965 4.298 20 0 HIADLP Cc1ccc2nc(-c3ccc(NC(=O)C[N@H+](C)CCCn4cc[nH+]c4)cc3)sc2c1 ZINC000539221753 938820721 /nfs/dbraw/zinc/82/07/21/938820721.db2.gz CHEACMLMWLNPGT-UHFFFAOYSA-N 2 2 419.554 4.429 20 0 HIADLP Cc1ccc2nc(-c3ccc(NC(=O)C[N@@H+](C)CCCn4cc[nH+]c4)cc3)sc2c1 ZINC000539221753 938820722 /nfs/dbraw/zinc/82/07/22/938820722.db2.gz CHEACMLMWLNPGT-UHFFFAOYSA-N 2 2 419.554 4.429 20 0 HIADLP C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539822788 938945363 /nfs/dbraw/zinc/94/53/63/938945363.db2.gz MNGRYRKYQVFSRH-PGRDOPGGSA-N 2 2 406.014 4.119 20 0 HIADLP C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539822788 938945372 /nfs/dbraw/zinc/94/53/72/938945372.db2.gz MNGRYRKYQVFSRH-PGRDOPGGSA-N 2 2 406.014 4.119 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccccc2)s1 ZINC000539822975 938946269 /nfs/dbraw/zinc/94/62/69/938946269.db2.gz WYYFTTSZLHHFQY-UHFFFAOYSA-N 3 2 412.647 4.438 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(-c2ccccc2)s1 ZINC000539822975 938946272 /nfs/dbraw/zinc/94/62/72/938946272.db2.gz WYYFTTSZLHHFQY-UHFFFAOYSA-N 3 2 412.647 4.438 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)c2)CC1 ZINC000539874258 938963170 /nfs/dbraw/zinc/96/31/70/938963170.db2.gz MICAIEKMEDDWGR-UHFFFAOYSA-N 2 2 421.589 4.147 20 0 HIADLP FC(F)(F)c1cnc(OCCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000540150219 939092802 /nfs/dbraw/zinc/09/28/02/939092802.db2.gz CTKHHTGUCQFEPJ-UHFFFAOYSA-N 2 2 414.859 4.176 20 0 HIADLP CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000540315985 939191454 /nfs/dbraw/zinc/19/14/54/939191454.db2.gz ONQIMBLVOFDARC-MGPUTAFESA-N 2 2 404.352 4.179 20 0 HIADLP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000540315988 939191859 /nfs/dbraw/zinc/19/18/59/939191859.db2.gz ONQIMBLVOFDARC-YWZLYKJASA-N 2 2 404.352 4.179 20 0 HIADLP Cc1cccc([C@H]([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C)c1 ZINC000540435967 939248214 /nfs/dbraw/zinc/24/82/14/939248214.db2.gz YJRYGBSNVORETD-DEOSSOPVSA-N 2 2 409.574 4.143 20 0 HIADLP CN(C(=O)Nc1ncc(C(C)(C)C)s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000540555985 939304379 /nfs/dbraw/zinc/30/43/79/939304379.db2.gz WQBLUWIUMHIHSY-QZTJIDSGSA-N 2 2 421.655 4.242 20 0 HIADLP CN(C(=O)Nc1ncc(C(C)(C)C)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000540555985 939304385 /nfs/dbraw/zinc/30/43/85/939304385.db2.gz WQBLUWIUMHIHSY-QZTJIDSGSA-N 2 2 421.655 4.242 20 0 HIADLP c1cn(-c2csc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccncc3)c2)c[nH+]1 ZINC000541390450 939503646 /nfs/dbraw/zinc/50/36/46/939503646.db2.gz RKCFXYWUDZIFDY-UHFFFAOYSA-N 2 2 412.522 4.471 20 0 HIADLP O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000541394231 939504432 /nfs/dbraw/zinc/50/44/32/939504432.db2.gz UJMQMVQHCUYQPB-UHFFFAOYSA-N 2 2 409.559 4.360 20 0 HIADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541408694 939508150 /nfs/dbraw/zinc/50/81/50/939508150.db2.gz YLOUJOKYEHORNK-QFIPXVFZSA-N 2 2 420.601 4.274 20 0 HIADLP O=C1[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000541555066 939554469 /nfs/dbraw/zinc/55/44/69/939554469.db2.gz JYTNCCYZAFKDCP-QGZVFWFLSA-N 2 2 407.326 4.136 20 0 HIADLP C[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541599541 939563882 /nfs/dbraw/zinc/56/38/82/939563882.db2.gz JLABKKYYAGKYIK-GJZGRUSLSA-N 2 2 419.418 4.010 20 0 HIADLP C[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541599541 939563885 /nfs/dbraw/zinc/56/38/85/939563885.db2.gz JLABKKYYAGKYIK-GJZGRUSLSA-N 2 2 419.418 4.010 20 0 HIADLP COCC[NH+]1CCC([NH2+][C@H]2CCN(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000542067586 939702243 /nfs/dbraw/zinc/70/22/43/939702243.db2.gz SVXJIUPDEMSEBU-SFTDATJTSA-N 2 2 411.993 4.093 20 0 HIADLP CCN(C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1nc2ccccc2s1 ZINC000542131271 939723366 /nfs/dbraw/zinc/72/33/66/939723366.db2.gz AYEWDVPYWKZBDP-UHFFFAOYSA-N 2 2 411.575 4.038 20 0 HIADLP CC(C)[C@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(F)cc1 ZINC000542132748 939724087 /nfs/dbraw/zinc/72/40/87/939724087.db2.gz HPQZAVAHIHWZHC-QHCPKHFHSA-N 2 2 400.542 4.028 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542133725 939724366 /nfs/dbraw/zinc/72/43/66/939724366.db2.gz LXUOAKCWYIVDHN-INIZCTEOSA-N 2 2 419.367 4.165 20 0 HIADLP Brc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)cc1 ZINC000542319150 939798658 /nfs/dbraw/zinc/79/86/58/939798658.db2.gz CTGGVBPJSCHWIJ-HNNXBMFYSA-N 2 2 417.376 4.312 20 0 HIADLP CC1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000542502328 939833442 /nfs/dbraw/zinc/83/34/42/939833442.db2.gz VKPRNMOTBXRZCU-MDWZMJQESA-N 2 2 417.597 4.146 20 0 HIADLP CC1CC[NH+](C2CCC(NC(=O)N3CCC(CCCn4cc[nH+]c4)CC3)CC2)CC1 ZINC000543040941 939904281 /nfs/dbraw/zinc/90/42/81/939904281.db2.gz MVKOTABKNGMSRI-UHFFFAOYSA-N 2 2 415.626 4.128 20 0 HIADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060340 939913267 /nfs/dbraw/zinc/91/32/67/939913267.db2.gz CHUYCZZMIQXGOL-GOSISDBHSA-N 2 2 412.361 4.122 20 0 HIADLP COc1cc(Br)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1OC ZINC000543059807 939914618 /nfs/dbraw/zinc/91/46/18/939914618.db2.gz HGERWVSUAQEYDM-UHFFFAOYSA-N 2 2 422.367 4.355 20 0 HIADLP COc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(Br)c1OC ZINC000543060616 939914759 /nfs/dbraw/zinc/91/47/59/939914759.db2.gz LOTZILWAQVYFCT-UHFFFAOYSA-N 2 2 422.367 4.355 20 0 HIADLP FC(F)(F)c1cnc(OCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c(Cl)c1 ZINC000543233931 940002833 /nfs/dbraw/zinc/00/28/33/940002833.db2.gz RRFUKXXTFPTWSY-UHFFFAOYSA-N 2 2 402.829 4.170 20 0 HIADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458961 940068736 /nfs/dbraw/zinc/06/87/36/940068736.db2.gz LOEOBFHRKAYZFX-BQFCYCMXSA-N 2 2 411.546 4.205 20 0 HIADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458961 940068739 /nfs/dbraw/zinc/06/87/39/940068739.db2.gz LOEOBFHRKAYZFX-BQFCYCMXSA-N 2 2 411.546 4.205 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OCCOc1ccccc1Cl ZINC000543768874 940180900 /nfs/dbraw/zinc/18/09/00/940180900.db2.gz SKSPFPIESPXXAF-IBGZPJMESA-N 2 2 418.965 4.190 20 0 HIADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OCCOc1ccccc1Cl ZINC000543768874 940180906 /nfs/dbraw/zinc/18/09/06/940180906.db2.gz SKSPFPIESPXXAF-IBGZPJMESA-N 2 2 418.965 4.190 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cs2)cc1 ZINC000543988266 940285609 /nfs/dbraw/zinc/28/56/09/940285609.db2.gz IPDKXPZZOVHWRS-UHFFFAOYSA-N 2 2 424.570 4.486 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543990247 940286198 /nfs/dbraw/zinc/28/61/98/940286198.db2.gz XRSUQNWITIADRV-INIZCTEOSA-N 2 2 404.942 4.065 20 0 HIADLP Brc1cccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCOCC2)c1 ZINC000544112126 940329501 /nfs/dbraw/zinc/32/95/01/940329501.db2.gz QDAAWQNJSUWFLZ-UHFFFAOYSA-N 2 2 418.360 4.492 20 0 HIADLP CC(C)c1cnc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)s1 ZINC000544173671 940343916 /nfs/dbraw/zinc/34/39/16/940343916.db2.gz VLDDWATWDTWDLA-UHFFFAOYSA-N 2 2 412.525 4.327 20 0 HIADLP CCN1CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000544174980 940344113 /nfs/dbraw/zinc/34/41/13/940344113.db2.gz PYBOJFBOQYMEKD-UYAOXDASSA-N 2 2 406.477 4.276 20 0 HIADLP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nc(C)cs1 ZINC000544452748 940436904 /nfs/dbraw/zinc/43/69/04/940436904.db2.gz YGNDTCDZCOMPQT-RBUKOAKNSA-N 2 2 421.010 4.099 20 0 HIADLP C[NH+](C)CCCCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000563905500 945321239 /nfs/dbraw/zinc/32/12/39/945321239.db2.gz WILFDUBGGVTLOZ-DEOSSOPVSA-N 2 2 413.993 4.306 20 0 HIADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000544504933 940459204 /nfs/dbraw/zinc/45/92/04/940459204.db2.gz JPVPIAGKNROFSM-YADHBBJMSA-N 2 2 409.578 4.028 20 0 HIADLP C[NH+](C)CCOc1cccc(-c2noc(/C=C/c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000544593375 940486406 /nfs/dbraw/zinc/48/64/06/940486406.db2.gz LFRAYAUXXJTTHR-DHZHZOJOSA-N 2 2 401.470 4.033 20 0 HIADLP C[NH+](C)CCOc1cccc(-c2noc(/C=C\c3ccc(-n4cc[nH+]c4)cc3)n2)c1 ZINC000544593376 940486446 /nfs/dbraw/zinc/48/64/46/940486446.db2.gz LFRAYAUXXJTTHR-FLIBITNWSA-N 2 2 401.470 4.033 20 0 HIADLP CSCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545431086 940569523 /nfs/dbraw/zinc/56/95/23/940569523.db2.gz NFPNVSWQWRWEDT-VXKWHMMOSA-N 2 2 418.651 4.351 20 0 HIADLP CSCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545431086 940569524 /nfs/dbraw/zinc/56/95/24/940569524.db2.gz NFPNVSWQWRWEDT-VXKWHMMOSA-N 2 2 418.651 4.351 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccc(C)cc2)c2ccc(OC)cc2)CC1 ZINC000545913072 940656937 /nfs/dbraw/zinc/65/69/37/940656937.db2.gz PCYACWXVPCLIAY-VWLOTQADSA-N 2 2 410.558 4.100 20 0 HIADLP COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3C)CCN2C2CC2)c1 ZINC000549117554 941161617 /nfs/dbraw/zinc/16/16/17/941161617.db2.gz MZNMRXZAFGTBMJ-DQEYMECFSA-N 2 2 402.542 4.257 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000549166899 941167672 /nfs/dbraw/zinc/16/76/72/941167672.db2.gz USQNFCDMFUUBNB-QHCPKHFHSA-N 2 2 405.586 4.072 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000549166899 941167676 /nfs/dbraw/zinc/16/76/76/941167676.db2.gz USQNFCDMFUUBNB-QHCPKHFHSA-N 2 2 405.586 4.072 20 0 HIADLP Cc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(-c2ccnn2C)c1 ZINC000549246991 941173927 /nfs/dbraw/zinc/17/39/27/941173927.db2.gz BOGPQHLQGLQZDS-UHFFFAOYSA-N 2 2 406.496 4.290 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000549346502 941181724 /nfs/dbraw/zinc/18/17/24/941181724.db2.gz LAAVQDJGSLOPLF-XMMPIXPASA-N 2 2 402.542 4.267 20 0 HIADLP CN(C(=O)Nc1nc(C(C)(C)C)cs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549537475 941198506 /nfs/dbraw/zinc/19/85/06/941198506.db2.gz RVVXFBJQKNEAIV-ROUUACIJSA-N 2 2 421.655 4.242 20 0 HIADLP CN(C(=O)Nc1nc(C(C)(C)C)cs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549537475 941198507 /nfs/dbraw/zinc/19/85/07/941198507.db2.gz RVVXFBJQKNEAIV-ROUUACIJSA-N 2 2 421.655 4.242 20 0 HIADLP CC[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000549750130 941206359 /nfs/dbraw/zinc/20/63/59/941206359.db2.gz WXAGSNNOTCSPMQ-JXALWOEJSA-N 2 2 409.574 4.145 20 0 HIADLP CC[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000549750130 941206360 /nfs/dbraw/zinc/20/63/60/941206360.db2.gz WXAGSNNOTCSPMQ-JXALWOEJSA-N 2 2 409.574 4.145 20 0 HIADLP CC[C@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000549750130 941206361 /nfs/dbraw/zinc/20/63/61/941206361.db2.gz WXAGSNNOTCSPMQ-JXALWOEJSA-N 2 2 409.574 4.145 20 0 HIADLP CC[C@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000549750130 941206362 /nfs/dbraw/zinc/20/63/62/941206362.db2.gz WXAGSNNOTCSPMQ-JXALWOEJSA-N 2 2 409.574 4.145 20 0 HIADLP c1c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000550657558 941350733 /nfs/dbraw/zinc/35/07/33/941350733.db2.gz PZPCZXHVUZPJKN-XMMPIXPASA-N 2 2 416.569 4.226 20 0 HIADLP c1c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000550657558 941350737 /nfs/dbraw/zinc/35/07/37/941350737.db2.gz PZPCZXHVUZPJKN-XMMPIXPASA-N 2 2 416.569 4.226 20 0 HIADLP COc1ccc(C[C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)c1OC ZINC000552063863 941577012 /nfs/dbraw/zinc/57/70/12/941577012.db2.gz PZAZGFIXOAJAJP-YCMKEVRSSA-N 2 2 414.512 4.338 20 0 HIADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000552536438 941701398 /nfs/dbraw/zinc/70/13/98/941701398.db2.gz FLZLAVLZVWJZSL-CJFMBICVSA-N 2 2 403.574 4.009 20 0 HIADLP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000552536438 941701401 /nfs/dbraw/zinc/70/14/01/941701401.db2.gz FLZLAVLZVWJZSL-CJFMBICVSA-N 2 2 403.574 4.009 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000552931504 941805452 /nfs/dbraw/zinc/80/54/52/941805452.db2.gz PKIPXQWQRWCZMD-AEFFLSMTSA-N 2 2 403.448 4.393 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(Cl)cc1 ZINC000553027002 941819701 /nfs/dbraw/zinc/81/97/01/941819701.db2.gz LEYGOZOGBCFQSB-DYESRHJHSA-N 2 2 416.997 4.491 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(Cl)cc1 ZINC000553027002 941819703 /nfs/dbraw/zinc/81/97/03/941819703.db2.gz LEYGOZOGBCFQSB-DYESRHJHSA-N 2 2 416.997 4.491 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(Cl)cc1 ZINC000553027002 941819704 /nfs/dbraw/zinc/81/97/04/941819704.db2.gz LEYGOZOGBCFQSB-DYESRHJHSA-N 2 2 416.997 4.491 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(Cl)cc1 ZINC000553027002 941819706 /nfs/dbraw/zinc/81/97/06/941819706.db2.gz LEYGOZOGBCFQSB-DYESRHJHSA-N 2 2 416.997 4.491 20 0 HIADLP C[C@@H]1C[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000553163136 941843056 /nfs/dbraw/zinc/84/30/56/941843056.db2.gz GNWNBHCUACKMGD-OIBXWCBGSA-N 2 2 402.542 4.101 20 0 HIADLP C[C@@H]1C[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000553163136 941843057 /nfs/dbraw/zinc/84/30/57/941843057.db2.gz GNWNBHCUACKMGD-OIBXWCBGSA-N 2 2 402.542 4.101 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)C2 ZINC000554152668 942051333 /nfs/dbraw/zinc/05/13/33/942051333.db2.gz UUMWLJOQRAANDX-OAQYLSRUSA-N 2 2 420.601 4.153 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)CC2 ZINC000554152668 942051341 /nfs/dbraw/zinc/05/13/41/942051341.db2.gz UUMWLJOQRAANDX-OAQYLSRUSA-N 2 2 420.601 4.153 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC3CCC([N@H+](C)Cc4ccccc4)CC3)[nH+]c2)C1 ZINC000556253017 942826804 /nfs/dbraw/zinc/82/68/04/942826804.db2.gz HQNQKIAZCNRMOS-UBVWURDFSA-N 3 2 407.606 4.077 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC3CCC([N@@H+](C)Cc4ccccc4)CC3)[nH+]c2)C1 ZINC000556253017 942826808 /nfs/dbraw/zinc/82/68/08/942826808.db2.gz HQNQKIAZCNRMOS-UBVWURDFSA-N 3 2 407.606 4.077 20 0 HIADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000556499151 942885676 /nfs/dbraw/zinc/88/56/76/942885676.db2.gz AARMUDJQAQHXAT-SDHSZQHLSA-N 2 2 412.549 4.269 20 0 HIADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000556499151 942885677 /nfs/dbraw/zinc/88/56/77/942885677.db2.gz AARMUDJQAQHXAT-SDHSZQHLSA-N 2 2 412.549 4.269 20 0 HIADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000556499151 942885681 /nfs/dbraw/zinc/88/56/81/942885681.db2.gz AARMUDJQAQHXAT-SDHSZQHLSA-N 2 2 412.549 4.269 20 0 HIADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000556499151 942885684 /nfs/dbraw/zinc/88/56/84/942885684.db2.gz AARMUDJQAQHXAT-SDHSZQHLSA-N 2 2 412.549 4.269 20 0 HIADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)COc1ccc(-c2ccccc2)cc1 ZINC000557221687 943055367 /nfs/dbraw/zinc/05/53/67/943055367.db2.gz UACHIKLUIVNSHS-JOCHJYFZSA-N 2 2 417.484 4.208 20 0 HIADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Br)c1 ZINC000558407760 943551717 /nfs/dbraw/zinc/55/17/17/943551717.db2.gz ZTJRDZIEUJNMOD-MRXNPFEDSA-N 2 2 404.352 4.370 20 0 HIADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(Br)c1 ZINC000558407760 943551724 /nfs/dbraw/zinc/55/17/24/943551724.db2.gz ZTJRDZIEUJNMOD-MRXNPFEDSA-N 2 2 404.352 4.370 20 0 HIADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000558493672 943574635 /nfs/dbraw/zinc/57/46/35/943574635.db2.gz HUYOYQWJEZANOZ-GOSISDBHSA-N 2 2 417.488 4.482 20 0 HIADLP O=C(CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(Br)cc1 ZINC000558657082 943624917 /nfs/dbraw/zinc/62/49/17/943624917.db2.gz LAJUBCFZFWJBSD-FQEVSTJZSA-N 2 2 416.363 4.204 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000558975367 943778836 /nfs/dbraw/zinc/77/88/36/943778836.db2.gz PIRCPLBNAXWPKA-SDUSCBPUSA-N 2 2 422.569 4.049 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000558975367 943778838 /nfs/dbraw/zinc/77/88/38/943778838.db2.gz PIRCPLBNAXWPKA-SDUSCBPUSA-N 2 2 422.569 4.049 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000559068388 943823378 /nfs/dbraw/zinc/82/33/78/943823378.db2.gz QSPNKDKNBYZDEX-WMZHIEFXSA-N 2 2 403.574 4.369 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000559068388 943823380 /nfs/dbraw/zinc/82/33/80/943823380.db2.gz QSPNKDKNBYZDEX-WMZHIEFXSA-N 2 2 403.574 4.369 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000559068388 943823383 /nfs/dbraw/zinc/82/33/83/943823383.db2.gz QSPNKDKNBYZDEX-WMZHIEFXSA-N 2 2 403.574 4.369 20 0 HIADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000559068388 943823388 /nfs/dbraw/zinc/82/33/88/943823388.db2.gz QSPNKDKNBYZDEX-WMZHIEFXSA-N 2 2 403.574 4.369 20 0 HIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C[C@H]1c1ccccc1 ZINC000559738808 944041134 /nfs/dbraw/zinc/04/11/34/944041134.db2.gz FNRPXFKHAHOUTA-VWNXMTODSA-N 2 2 400.526 4.259 20 0 HIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C[C@H]1c1ccccc1 ZINC000559738808 944041146 /nfs/dbraw/zinc/04/11/46/944041146.db2.gz FNRPXFKHAHOUTA-VWNXMTODSA-N 2 2 400.526 4.259 20 0 HIADLP CN(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1nc2ccccc2s1 ZINC000560979050 944384147 /nfs/dbraw/zinc/38/41/47/944384147.db2.gz VDGGOHXEIINXNP-NRFANRHFSA-N 2 2 422.598 4.149 20 0 HIADLP CN(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1nc2ccccc2s1 ZINC000560979050 944384151 /nfs/dbraw/zinc/38/41/51/944384151.db2.gz VDGGOHXEIINXNP-NRFANRHFSA-N 2 2 422.598 4.149 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCOc3c(-c4ccccc4)cccc32)CC1 ZINC000561263508 944532459 /nfs/dbraw/zinc/53/24/59/944532459.db2.gz XDLPVJBXOSZEET-HSZRJFAPSA-N 2 2 408.542 4.184 20 0 HIADLP Cc1ccncc1CCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000561980687 944884548 /nfs/dbraw/zinc/88/45/48/944884548.db2.gz IKRQPGXHNJLIRT-UHFFFAOYSA-N 2 2 403.324 4.077 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c2nccc(C)c2c1 ZINC000564672782 945723173 /nfs/dbraw/zinc/72/31/73/945723173.db2.gz DJKKTCUFTDHRSX-ZEQRLZLVSA-N 2 2 422.617 4.261 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2nccc(C)c2c1 ZINC000564672782 945723185 /nfs/dbraw/zinc/72/31/85/945723185.db2.gz DJKKTCUFTDHRSX-ZEQRLZLVSA-N 2 2 422.617 4.261 20 0 HIADLP COc1cc2cc[nH+]c(N3CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC3)c2cc1F ZINC000564750601 945747875 /nfs/dbraw/zinc/74/78/75/945747875.db2.gz PZQFKJJKYMGIJH-KRWDZBQOSA-N 2 2 417.525 4.015 20 0 HIADLP COc1cc2cc[nH+]c(N3CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC3)c2cc1F ZINC000564750601 945747880 /nfs/dbraw/zinc/74/78/80/945747880.db2.gz PZQFKJJKYMGIJH-KRWDZBQOSA-N 2 2 417.525 4.015 20 0 HIADLP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc(Cl)c1OC ZINC000567408486 946326894 /nfs/dbraw/zinc/32/68/94/946326894.db2.gz QGWBAGHGFXQYCF-VQTJNVASSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc(Cl)c1OC ZINC000567408486 946326910 /nfs/dbraw/zinc/32/69/10/946326910.db2.gz QGWBAGHGFXQYCF-VQTJNVASSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(Cl)c1OC ZINC000567408486 946326926 /nfs/dbraw/zinc/32/69/26/946326926.db2.gz QGWBAGHGFXQYCF-VQTJNVASSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(Cl)c1OC ZINC000567408486 946326946 /nfs/dbraw/zinc/32/69/46/946326946.db2.gz QGWBAGHGFXQYCF-VQTJNVASSA-N 2 2 400.950 4.311 20 0 HIADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000569711680 946950418 /nfs/dbraw/zinc/95/04/18/946950418.db2.gz KGGDURHGKGMCQZ-PXDATVDWSA-N 2 2 419.613 4.211 20 0 HIADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000569711680 946950474 /nfs/dbraw/zinc/95/04/74/946950474.db2.gz KGGDURHGKGMCQZ-PXDATVDWSA-N 2 2 419.613 4.211 20 0 HIADLP c1nnc([C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)c2ccccc2)[nH]1 ZINC000570196695 947134596 /nfs/dbraw/zinc/13/45/96/947134596.db2.gz CMGRLELLHWJRFK-DEOSSOPVSA-N 2 2 403.574 4.219 20 0 HIADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000571070073 947472230 /nfs/dbraw/zinc/47/22/30/947472230.db2.gz DWIBSDSSGLNQIC-UHFFFAOYSA-N 2 2 400.526 4.001 20 0 HIADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH+]c2c1 ZINC001164834681 720567014 /nfs/dbraw/zinc/56/70/14/720567014.db2.gz FRKKJKWSSUPHBZ-MZLICYQSSA-N 2 2 419.573 4.126 20 0 HIADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH+]c2c1 ZINC001164834681 720567018 /nfs/dbraw/zinc/56/70/18/720567018.db2.gz FRKKJKWSSUPHBZ-MZLICYQSSA-N 2 2 419.573 4.126 20 0 HIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4ccc(C)cc43)C2)C1 ZINC001164779801 721349412 /nfs/dbraw/zinc/34/94/12/721349412.db2.gz WUBILIYBVXSQGJ-RUZDIDTESA-N 2 2 420.557 4.267 20 0 HIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4ccc(C)cc43)C2)C1 ZINC001164779801 721349413 /nfs/dbraw/zinc/34/94/13/721349413.db2.gz WUBILIYBVXSQGJ-RUZDIDTESA-N 2 2 420.557 4.267 20 0 HIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4cccc(C)c43)C2)C1 ZINC001164780273 721370647 /nfs/dbraw/zinc/37/06/47/721370647.db2.gz FLSORICIBYADBV-RUZDIDTESA-N 2 2 420.557 4.267 20 0 HIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4cccc(C)c43)C2)C1 ZINC001164780273 721370650 /nfs/dbraw/zinc/37/06/50/721370650.db2.gz FLSORICIBYADBV-RUZDIDTESA-N 2 2 420.557 4.267 20 0 HIADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c3ccccc3[nH+]1)CC2 ZINC001164787844 721459028 /nfs/dbraw/zinc/45/90/28/721459028.db2.gz SPXVLDWJLBCNHJ-QFIPXVFZSA-N 2 2 423.601 4.277 20 0 HIADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)c3ccccc3[nH+]1)CC2 ZINC001164787844 721459031 /nfs/dbraw/zinc/45/90/31/721459031.db2.gz SPXVLDWJLBCNHJ-QFIPXVFZSA-N 2 2 423.601 4.277 20 0 HIADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3ccc(C)cc31)CC2 ZINC001164789879 721459531 /nfs/dbraw/zinc/45/95/31/721459531.db2.gz YBUMERNEWHGNRR-QHCPKHFHSA-N 2 2 423.601 4.277 20 0 HIADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3ccc(C)cc31)CC2 ZINC001164789879 721459534 /nfs/dbraw/zinc/45/95/34/721459534.db2.gz YBUMERNEWHGNRR-QHCPKHFHSA-N 2 2 423.601 4.277 20 0 HIADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2 ZINC001164788809 721473517 /nfs/dbraw/zinc/47/35/17/721473517.db2.gz LHKFXUFSFLOWQW-JOCHJYFZSA-N 2 2 415.622 4.113 20 0 HIADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2 ZINC001164788809 721473519 /nfs/dbraw/zinc/47/35/19/721473519.db2.gz LHKFXUFSFLOWQW-JOCHJYFZSA-N 2 2 415.622 4.113 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc[nH+]1 ZINC001165029627 721818680 /nfs/dbraw/zinc/81/86/80/721818680.db2.gz ZVVZPGDDZGENKB-WWNPGLIZSA-N 2 2 422.621 4.235 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc[nH+]1 ZINC001165029627 721818681 /nfs/dbraw/zinc/81/86/81/721818681.db2.gz ZVVZPGDDZGENKB-WWNPGLIZSA-N 2 2 422.621 4.235 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]cn1 ZINC001165029627 721818683 /nfs/dbraw/zinc/81/86/83/721818683.db2.gz ZVVZPGDDZGENKB-WWNPGLIZSA-N 2 2 422.621 4.235 20 0 HIADLP CCCN(CCC)c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]cn1 ZINC001165029627 721818684 /nfs/dbraw/zinc/81/86/84/721818684.db2.gz ZVVZPGDDZGENKB-WWNPGLIZSA-N 2 2 422.621 4.235 20 0 HIADLP Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)[nH+]c2ccccc12 ZINC001164963861 722055932 /nfs/dbraw/zinc/05/59/32/722055932.db2.gz OQEFBXUVUYVGKD-UHFFFAOYSA-N 2 2 402.542 4.057 20 0 HIADLP Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]c2ccccc12 ZINC001164963861 722055934 /nfs/dbraw/zinc/05/59/34/722055934.db2.gz OQEFBXUVUYVGKD-UHFFFAOYSA-N 2 2 402.542 4.057 20 0 HIADLP CN(C(=O)C1CCC(C(F)(F)F)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436045925 861336199 /nfs/dbraw/zinc/33/61/99/861336199.db2.gz FTBDHTUSFFLMAA-WXDAQCLHSA-N 2 2 417.560 4.151 20 0 HIADLP CN(C(=O)C1CCC(C(F)(F)F)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436045925 861336210 /nfs/dbraw/zinc/33/62/10/861336210.db2.gz FTBDHTUSFFLMAA-WXDAQCLHSA-N 2 2 417.560 4.151 20 0 HIADLP CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C(C)C)cc1 ZINC000007873011 845437253 /nfs/dbraw/zinc/43/72/53/845437253.db2.gz HURSWIZRNKCYKQ-RUZDIDTESA-N 2 2 409.574 4.007 20 0 HIADLP COc1cc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cs2)ccc1O ZINC000436483152 861819743 /nfs/dbraw/zinc/81/97/43/861819743.db2.gz CUUAIIJSCPYNML-KRWDZBQOSA-N 2 2 424.570 4.437 20 0 HIADLP COc1cc(-c2nc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cs2)ccc1O ZINC000436483152 861819744 /nfs/dbraw/zinc/81/97/44/861819744.db2.gz CUUAIIJSCPYNML-KRWDZBQOSA-N 2 2 424.570 4.437 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000038831765 848180666 /nfs/dbraw/zinc/18/06/66/848180666.db2.gz SKTQWGQLLXNJHA-FQEVSTJZSA-N 2 2 402.542 4.093 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000038831765 848180670 /nfs/dbraw/zinc/18/06/70/848180670.db2.gz SKTQWGQLLXNJHA-FQEVSTJZSA-N 2 2 402.542 4.093 20 0 HIADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000041651938 848237507 /nfs/dbraw/zinc/23/75/07/848237507.db2.gz HPJBSGAKWICOQK-RYUDHWBXSA-N 2 2 402.174 4.347 20 0 HIADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000041651938 848237512 /nfs/dbraw/zinc/23/75/12/848237512.db2.gz HPJBSGAKWICOQK-RYUDHWBXSA-N 2 2 402.174 4.347 20 0 HIADLP C[N@H+](Cc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000043391391 848418476 /nfs/dbraw/zinc/41/84/76/848418476.db2.gz YVAFDBAIJKKFBB-UHFFFAOYSA-N 2 2 407.562 4.200 20 0 HIADLP C[N@@H+](Cc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000043391391 848418480 /nfs/dbraw/zinc/41/84/80/848418480.db2.gz YVAFDBAIJKKFBB-UHFFFAOYSA-N 2 2 407.562 4.200 20 0 HIADLP CC[NH+](CC)Cc1ccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000043507800 848434587 /nfs/dbraw/zinc/43/45/87/848434587.db2.gz IZVJLYFHVDKGEG-UHFFFAOYSA-N 2 2 410.587 4.034 20 0 HIADLP CC1CC[NH+](Cc2ccccc2CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000045764426 848724871 /nfs/dbraw/zinc/72/48/71/848724871.db2.gz PCYSUMKLRLZVKG-UHFFFAOYSA-N 2 2 402.542 4.093 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(Nc3ncnc4scc(-c5ccccc5)c43)CC2)CC1 ZINC000050954576 849421939 /nfs/dbraw/zinc/42/19/39/849421939.db2.gz FXJUXPSWQIUXFF-UHFFFAOYSA-N 2 2 407.587 4.329 20 0 HIADLP CCC(CC)[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000051761304 849513735 /nfs/dbraw/zinc/51/37/35/849513735.db2.gz KAWFKSSCHFPVLT-OAQYLSRUSA-N 2 2 406.640 4.083 20 0 HIADLP Cc1ccsc1C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058372712 850810956 /nfs/dbraw/zinc/81/09/56/850810956.db2.gz WAUCEZKQVLKHOV-IBGZPJMESA-N 2 2 405.995 4.095 20 0 HIADLP Cc1ccsc1C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058372712 850810960 /nfs/dbraw/zinc/81/09/60/850810960.db2.gz WAUCEZKQVLKHOV-IBGZPJMESA-N 2 2 405.995 4.095 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1Cl ZINC000061070382 851287603 /nfs/dbraw/zinc/28/76/03/851287603.db2.gz IJHFBLCLZHNUEN-PMACEKPBSA-N 2 2 418.969 4.062 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(Cl)cc(Cl)c3OC)cc2)CC1 ZINC000065932099 852321893 /nfs/dbraw/zinc/32/18/93/852321893.db2.gz YOMKSNWMXMCHSO-UHFFFAOYSA-N 2 2 422.400 4.429 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(Cl)c1 ZINC000110732690 853145838 /nfs/dbraw/zinc/14/58/38/853145838.db2.gz AXHHBXZKPLADSM-QRVBRYPASA-N 2 2 422.013 4.105 20 0 HIADLP C[NH+](C)[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000195726264 853780479 /nfs/dbraw/zinc/78/04/79/853780479.db2.gz XOHSERMULRJHMV-NRFANRHFSA-N 2 2 419.491 4.043 20 0 HIADLP C[NH+](C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000195726264 853780480 /nfs/dbraw/zinc/78/04/80/853780480.db2.gz XOHSERMULRJHMV-NRFANRHFSA-N 2 2 419.491 4.043 20 0 HIADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000237332892 854008793 /nfs/dbraw/zinc/00/87/93/854008793.db2.gz MCVUYSNZMFHIMP-HNNXBMFYSA-N 2 2 402.420 4.398 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cn1 ZINC000237655492 854068579 /nfs/dbraw/zinc/06/85/79/854068579.db2.gz ZPNQEWHLNVBWEL-UHFFFAOYSA-N 2 2 421.508 4.113 20 0 HIADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390862990 855459004 /nfs/dbraw/zinc/45/90/04/855459004.db2.gz LVCAIGGPVZYPFD-XMSQKQJNSA-N 2 2 417.391 4.261 20 0 HIADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390862990 855459008 /nfs/dbraw/zinc/45/90/08/855459008.db2.gz LVCAIGGPVZYPFD-XMSQKQJNSA-N 2 2 417.391 4.261 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1Cl ZINC000410145491 855837733 /nfs/dbraw/zinc/83/77/33/855837733.db2.gz MDFOZALWVASJKF-JOCHJYFZSA-N 2 2 410.949 4.398 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1)C1CC1 ZINC000410315006 855924083 /nfs/dbraw/zinc/92/40/83/855924083.db2.gz GIBJDOUDFUOXNC-UHFFFAOYSA-N 2 2 406.574 4.376 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1)C1CC1 ZINC000410315006 855924090 /nfs/dbraw/zinc/92/40/90/855924090.db2.gz GIBJDOUDFUOXNC-UHFFFAOYSA-N 2 2 406.574 4.376 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000410411422 855982600 /nfs/dbraw/zinc/98/26/00/855982600.db2.gz OUUIRGZYYDJUIU-NHCUHLMSSA-N 2 2 416.569 4.339 20 0 HIADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)nc[nH+]1 ZINC000426045888 856070618 /nfs/dbraw/zinc/07/06/18/856070618.db2.gz OSTPKQVCHOYIGC-RTWAWAEBSA-N 2 2 422.964 4.109 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000426164522 856148645 /nfs/dbraw/zinc/14/86/45/856148645.db2.gz YNHYRCPWZKLPHB-HNNXBMFYSA-N 2 2 403.452 4.284 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000426164522 856148648 /nfs/dbraw/zinc/14/86/48/856148648.db2.gz YNHYRCPWZKLPHB-HNNXBMFYSA-N 2 2 403.452 4.284 20 0 HIADLP Cc1ccc([C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000426304543 856233656 /nfs/dbraw/zinc/23/36/56/856233656.db2.gz CWACNSFDVCYYPR-SGNDLWITSA-N 2 2 417.557 4.022 20 0 HIADLP Cc1nc2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2s1 ZINC000426402495 856275649 /nfs/dbraw/zinc/27/56/49/856275649.db2.gz CLBUWMHNTIPJTL-OAQYLSRUSA-N 2 2 421.614 4.034 20 0 HIADLP Cc1nc2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cc2s1 ZINC000426402495 856275661 /nfs/dbraw/zinc/27/56/61/856275661.db2.gz CLBUWMHNTIPJTL-OAQYLSRUSA-N 2 2 421.614 4.034 20 0 HIADLP CC(C)(C)[N@@H+]1C[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)[C@H](C(F)(F)F)C1 ZINC000426448871 856295930 /nfs/dbraw/zinc/29/59/30/856295930.db2.gz HDAUZPQWCMDOSQ-IAGOWNOFSA-N 2 2 419.451 4.358 20 0 HIADLP CC(C)(C)[N@H+]1C[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)[C@H](C(F)(F)F)C1 ZINC000426448871 856295944 /nfs/dbraw/zinc/29/59/44/856295944.db2.gz HDAUZPQWCMDOSQ-IAGOWNOFSA-N 2 2 419.451 4.358 20 0 HIADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000426789988 856478881 /nfs/dbraw/zinc/47/88/81/856478881.db2.gz ZJYMYRPGNQZVDD-FHWLQOOXSA-N 2 2 422.013 4.187 20 0 HIADLP Fc1ccccc1[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000427865887 856987031 /nfs/dbraw/zinc/98/70/31/856987031.db2.gz OGZGOKWSAKKHDP-OXJNMPFZSA-N 2 2 400.295 4.479 20 0 HIADLP C[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000428859858 857374912 /nfs/dbraw/zinc/37/49/12/857374912.db2.gz JOBNICRARXNHQD-AWEZNQCLSA-N 2 2 402.514 4.177 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000429234035 857566797 /nfs/dbraw/zinc/56/67/97/857566797.db2.gz GBXMWFRUIUFPFX-UHFFFAOYSA-N 2 2 424.368 4.232 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000429234035 857566808 /nfs/dbraw/zinc/56/68/08/857566808.db2.gz GBXMWFRUIUFPFX-UHFFFAOYSA-N 2 2 424.368 4.232 20 0 HIADLP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000430832454 858321961 /nfs/dbraw/zinc/32/19/61/858321961.db2.gz ZBJJBHBXWONSEW-LADGPHEKSA-N 2 2 405.542 4.065 20 0 HIADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000430922635 858371514 /nfs/dbraw/zinc/37/15/14/858371514.db2.gz BRFUXVWBNCTVPA-UHFFFAOYSA-N 3 2 413.650 4.443 20 0 HIADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000430922635 858371525 /nfs/dbraw/zinc/37/15/25/858371525.db2.gz BRFUXVWBNCTVPA-UHFFFAOYSA-N 3 2 413.650 4.443 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-c2cccs2)on1 ZINC000430951427 858380567 /nfs/dbraw/zinc/38/05/67/858380567.db2.gz LIBSEKWATPTFEP-UHFFFAOYSA-N 3 2 402.608 4.031 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(-c2cccs2)on1 ZINC000430951427 858380571 /nfs/dbraw/zinc/38/05/71/858380571.db2.gz LIBSEKWATPTFEP-UHFFFAOYSA-N 3 2 402.608 4.031 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1Cl ZINC000431557555 858668925 /nfs/dbraw/zinc/66/89/25/858668925.db2.gz PDJHVRCSLBEUIU-QHCPKHFHSA-N 2 2 424.976 4.327 20 0 HIADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)CC1 ZINC000433524356 859755431 /nfs/dbraw/zinc/75/54/31/859755431.db2.gz ILKXYOYYOXMBRL-UHFFFAOYSA-N 2 2 421.614 4.353 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434682875 860458082 /nfs/dbraw/zinc/45/80/82/860458082.db2.gz BIPXRBGOCWFYOG-HNNXBMFYSA-N 2 2 420.479 4.445 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000434683782 860458409 /nfs/dbraw/zinc/45/84/09/860458409.db2.gz IGSIQHQQIQCGNL-UHFFFAOYSA-N 2 2 406.452 4.056 20 0 HIADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686516 860460339 /nfs/dbraw/zinc/46/03/39/860460339.db2.gz UKJSMAOSFSBXSA-CQSZACIVSA-N 2 2 404.917 4.219 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686261 860460815 /nfs/dbraw/zinc/46/08/15/860460815.db2.gz SCGWEONYYOJHLV-KRWDZBQOSA-N 2 2 414.981 4.272 20 0 HIADLP CC[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000438108025 863523535 /nfs/dbraw/zinc/52/35/35/863523535.db2.gz FBYIROILFQLHGK-UHFFFAOYSA-N 2 2 407.537 4.204 20 0 HIADLP CC[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000438108025 863523553 /nfs/dbraw/zinc/52/35/53/863523553.db2.gz FBYIROILFQLHGK-UHFFFAOYSA-N 2 2 407.537 4.204 20 0 HIADLP Cc1c[nH+]cn1C1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000439131532 864565275 /nfs/dbraw/zinc/56/52/75/864565275.db2.gz VPHNOJNPMZLETB-UHFFFAOYSA-N 2 2 410.591 4.250 20 0 HIADLP C[N@H+](C[C@@H](O)CO[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440462496 865765786 /nfs/dbraw/zinc/76/57/86/865765786.db2.gz WETXWGPHWZQOET-RSXGOPAZSA-N 2 2 408.586 4.038 20 0 HIADLP C[N@@H+](C[C@@H](O)CO[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440462496 865765800 /nfs/dbraw/zinc/76/58/00/865765800.db2.gz WETXWGPHWZQOET-RSXGOPAZSA-N 2 2 408.586 4.038 20 0 HIADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441374236 866442766 /nfs/dbraw/zinc/44/27/66/866442766.db2.gz DVBKZVOTFHOMSQ-XUZZJYLKSA-N 2 2 404.558 4.268 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N[C@H](C)c2ccccc2C)c(C)c1 ZINC000441382084 866453924 /nfs/dbraw/zinc/45/39/24/866453924.db2.gz NBMYYVNIGLBBFT-DPLHUUCSSA-N 2 2 404.558 4.405 20 0 HIADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401344 866475293 /nfs/dbraw/zinc/47/52/93/866475293.db2.gz MGHCINRITXPMFR-DHLKQENFSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401344 866475300 /nfs/dbraw/zinc/47/53/00/866475300.db2.gz MGHCINRITXPMFR-DHLKQENFSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401344 866475307 /nfs/dbraw/zinc/47/53/07/866475307.db2.gz MGHCINRITXPMFR-DHLKQENFSA-N 2 2 403.570 4.169 20 0 HIADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000441401344 866475312 /nfs/dbraw/zinc/47/53/12/866475312.db2.gz MGHCINRITXPMFR-DHLKQENFSA-N 2 2 403.570 4.169 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1Br ZINC000441414091 866488578 /nfs/dbraw/zinc/48/85/78/866488578.db2.gz RWVFCIBDGFCPAH-FTRWYGJKSA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1Br ZINC000441414091 866488583 /nfs/dbraw/zinc/48/85/83/866488583.db2.gz RWVFCIBDGFCPAH-FTRWYGJKSA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1Br ZINC000441414091 866488588 /nfs/dbraw/zinc/48/85/88/866488588.db2.gz RWVFCIBDGFCPAH-FTRWYGJKSA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1Br ZINC000441414091 866488595 /nfs/dbraw/zinc/48/85/95/866488595.db2.gz RWVFCIBDGFCPAH-FTRWYGJKSA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cccc(Oc2ccccc2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000442031682 867075225 /nfs/dbraw/zinc/07/52/25/867075225.db2.gz PEMIMOXLMPLXQX-UHFFFAOYSA-N 2 2 407.558 4.076 20 0 HIADLP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000442233136 867269826 /nfs/dbraw/zinc/26/98/26/867269826.db2.gz BNKNYVBRZZINKU-QHCPKHFHSA-N 2 2 411.594 4.005 20 0 HIADLP CC[NH+](CC)CCOC1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443512881 868076584 /nfs/dbraw/zinc/07/65/84/868076584.db2.gz VXOMDONJXKVNCE-UHFFFAOYSA-N 2 2 424.358 4.464 20 0 HIADLP C[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000443581965 868137565 /nfs/dbraw/zinc/13/75/65/868137565.db2.gz MKIFGTLPTPSVRN-OAQYLSRUSA-N 2 2 406.492 4.205 20 0 HIADLP C[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000443581965 868137573 /nfs/dbraw/zinc/13/75/73/868137573.db2.gz MKIFGTLPTPSVRN-OAQYLSRUSA-N 2 2 406.492 4.205 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444790577 869007883 /nfs/dbraw/zinc/00/78/83/869007883.db2.gz ITEYTMQZPWHYJG-OALUTQOASA-N 2 2 404.514 4.419 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444790577 869007899 /nfs/dbraw/zinc/00/78/99/869007899.db2.gz ITEYTMQZPWHYJG-OALUTQOASA-N 2 2 404.514 4.419 20 0 HIADLP Cc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1OCCC(C)C ZINC000444872671 869068969 /nfs/dbraw/zinc/06/89/69/869068969.db2.gz OEDRUUDLYNSVLI-UHFFFAOYSA-N 2 2 416.610 4.100 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000446595254 870502296 /nfs/dbraw/zinc/50/22/96/870502296.db2.gz VBXAQSIGQCROEV-PKTZIBPZSA-N 2 2 403.530 4.038 20 0 HIADLP CN(C(=O)N[C@@H]1CCCc2sccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000468471940 882428264 /nfs/dbraw/zinc/42/82/64/882428264.db2.gz WMNQERXATQFSBK-NJDAHSKKSA-N 2 2 418.651 4.104 20 0 HIADLP CN(C(=O)N[C@@H]1CCCc2sccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468471940 882428298 /nfs/dbraw/zinc/42/82/98/882428298.db2.gz WMNQERXATQFSBK-NJDAHSKKSA-N 2 2 418.651 4.104 20 0 HIADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000447563073 871458532 /nfs/dbraw/zinc/45/85/32/871458532.db2.gz NYRVLYXVRVPGQR-LGKQTMLJSA-N 3 2 403.614 4.479 20 0 HIADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000447563073 871458583 /nfs/dbraw/zinc/45/85/83/871458583.db2.gz NYRVLYXVRVPGQR-LGKQTMLJSA-N 3 2 403.614 4.479 20 0 HIADLP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447670874 871601310 /nfs/dbraw/zinc/60/13/10/871601310.db2.gz OFRZPRKHBPCQAR-HSZRJFAPSA-N 2 2 424.564 4.119 20 0 HIADLP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447670874 871601319 /nfs/dbraw/zinc/60/13/19/871601319.db2.gz OFRZPRKHBPCQAR-HSZRJFAPSA-N 2 2 424.564 4.119 20 0 HIADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734766 871686948 /nfs/dbraw/zinc/68/69/48/871686948.db2.gz YWJQUQNUVBTBQM-GBXCKJPGSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734766 871686960 /nfs/dbraw/zinc/68/69/60/871686960.db2.gz YWJQUQNUVBTBQM-GBXCKJPGSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734766 871686975 /nfs/dbraw/zinc/68/69/75/871686975.db2.gz YWJQUQNUVBTBQM-GBXCKJPGSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OCc2cccnc2)c1 ZINC000447734766 871686990 /nfs/dbraw/zinc/68/69/90/871686990.db2.gz YWJQUQNUVBTBQM-GBXCKJPGSA-N 2 2 407.558 4.118 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)c1Br ZINC000447938665 871818780 /nfs/dbraw/zinc/81/87/80/871818780.db2.gz BZVBRQIEAJTWOK-HOTGVXAUSA-N 2 2 419.411 4.259 20 0 HIADLP CCSCc1ccccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000448338855 872278697 /nfs/dbraw/zinc/27/86/97/872278697.db2.gz GUVMIWPTQKMSCA-PKTZIBPZSA-N 2 2 417.663 4.349 20 0 HIADLP CCSCc1ccccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448338855 872278725 /nfs/dbraw/zinc/27/87/25/872278725.db2.gz GUVMIWPTQKMSCA-PKTZIBPZSA-N 2 2 417.663 4.349 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000460484536 873171169 /nfs/dbraw/zinc/17/11/69/873171169.db2.gz GDQJYNBGHBYBPR-DNQXCXABSA-N 2 2 405.586 4.010 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1csc(-c2ccccc2F)n1 ZINC000462800880 875848864 /nfs/dbraw/zinc/84/88/64/875848864.db2.gz GMMWRWGVIJETLN-APWZRJJASA-N 2 2 411.546 4.367 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1csc(-c2ccccc2F)n1 ZINC000462800880 875848869 /nfs/dbraw/zinc/84/88/69/875848869.db2.gz GMMWRWGVIJETLN-APWZRJJASA-N 2 2 411.546 4.367 20 0 HIADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000463158131 876211230 /nfs/dbraw/zinc/21/12/30/876211230.db2.gz CJIZBDAKHXLHTM-IEBWSBKVSA-N 2 2 418.632 4.035 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463193307 876251293 /nfs/dbraw/zinc/25/12/93/876251293.db2.gz RQWBCOYQYOBRJT-NVQXNPDNSA-N 2 2 419.613 4.110 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463193307 876251304 /nfs/dbraw/zinc/25/13/04/876251304.db2.gz RQWBCOYQYOBRJT-NVQXNPDNSA-N 2 2 419.613 4.110 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000463243297 876300255 /nfs/dbraw/zinc/30/02/55/876300255.db2.gz OGCQECAHUROLFN-POAQFYNOSA-N 2 2 408.464 4.261 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000463243297 876300262 /nfs/dbraw/zinc/30/02/62/876300262.db2.gz OGCQECAHUROLFN-POAQFYNOSA-N 2 2 408.464 4.261 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000463271659 876329435 /nfs/dbraw/zinc/32/94/35/876329435.db2.gz HDHKIMMWGKKDOT-HXUWFJFHSA-N 2 2 406.549 4.428 20 0 HIADLP CC[NH+](CC)CC1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000463702002 876821469 /nfs/dbraw/zinc/82/14/69/876821469.db2.gz ZZDBUVYHSBUQEM-UHFFFAOYSA-N 2 2 409.578 4.472 20 0 HIADLP COc1ccc(Cn2nc(C)c(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)c2C)cc1 ZINC000463745781 876868885 /nfs/dbraw/zinc/86/88/85/876868885.db2.gz LYNCAOCXUGDJBY-UHFFFAOYSA-N 2 2 401.514 4.032 20 0 HIADLP CC[N@@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806549 878052004 /nfs/dbraw/zinc/05/20/04/878052004.db2.gz FCIAIZGYHCVBEL-UHFFFAOYSA-N 2 2 412.622 4.190 20 0 HIADLP CC[N@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806549 878052020 /nfs/dbraw/zinc/05/20/20/878052020.db2.gz FCIAIZGYHCVBEL-UHFFFAOYSA-N 2 2 412.622 4.190 20 0 HIADLP CC[N@H+](CCC(=O)Nc1ccccc1SC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810669 878059768 /nfs/dbraw/zinc/05/97/68/878059768.db2.gz RNLPQHIVTBXFTN-UHFFFAOYSA-N 2 2 412.603 4.371 20 0 HIADLP CC[N@@H+](CCC(=O)Nc1ccccc1SC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810669 878059779 /nfs/dbraw/zinc/05/97/79/878059779.db2.gz RNLPQHIVTBXFTN-UHFFFAOYSA-N 2 2 412.603 4.371 20 0 HIADLP COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503372878 912353103 /nfs/dbraw/zinc/35/31/03/912353103.db2.gz HPLFJCWNVOBKFZ-AEFFLSMTSA-N 2 2 407.518 4.219 20 0 HIADLP COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503372878 912353126 /nfs/dbraw/zinc/35/31/26/912353126.db2.gz HPLFJCWNVOBKFZ-AEFFLSMTSA-N 2 2 407.518 4.219 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc4ccn(CC[NH+](C)C)c4c3)cn2c1 ZINC000465140080 878522489 /nfs/dbraw/zinc/52/24/89/878522489.db2.gz QEWJZAIIODMHPW-UHFFFAOYSA-N 2 2 421.570 4.031 20 0 HIADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc2c(c1)CCCC2 ZINC000503375144 912357501 /nfs/dbraw/zinc/35/75/01/912357501.db2.gz LDSUEWARFNHZLI-WMZHIEFXSA-N 2 2 420.601 4.155 20 0 HIADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc2c(c1)CCCC2 ZINC000503375144 912357512 /nfs/dbraw/zinc/35/75/12/912357512.db2.gz LDSUEWARFNHZLI-WMZHIEFXSA-N 2 2 420.601 4.155 20 0 HIADLP CCC(CC)[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000465540040 879000625 /nfs/dbraw/zinc/00/06/25/879000625.db2.gz IUWCSNPFWVNWTJ-QHCPKHFHSA-N 2 2 414.638 4.413 20 0 HIADLP C[NH+]1CCC(CNC(=O)N[C@@H](c2ccccc2)C2CCCC2)([NH+]2CCCCC2)CC1 ZINC000465656965 879183438 /nfs/dbraw/zinc/18/34/38/879183438.db2.gz JMBUIXPALZCXTI-QHCPKHFHSA-N 2 2 412.622 4.167 20 0 HIADLP CCN(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@@H](C)c1ccc(F)cc1 ZINC000503430275 912428272 /nfs/dbraw/zinc/42/82/72/912428272.db2.gz KMGUMNLTJBTDRU-ICSRJNTNSA-N 2 2 412.553 4.148 20 0 HIADLP CCN(C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@@H](C)c1ccc(F)cc1 ZINC000503430275 912428288 /nfs/dbraw/zinc/42/82/88/912428288.db2.gz KMGUMNLTJBTDRU-ICSRJNTNSA-N 2 2 412.553 4.148 20 0 HIADLP Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1C(F)(F)F ZINC000466160283 879863739 /nfs/dbraw/zinc/86/37/39/879863739.db2.gz WJXPFKRJTBRGJN-UHFFFAOYSA-N 2 2 412.500 4.086 20 0 HIADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000466728535 880514251 /nfs/dbraw/zinc/51/42/51/880514251.db2.gz UQDRAKXZBAHNGM-KRWDZBQOSA-N 2 2 420.985 4.198 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000467136209 880882749 /nfs/dbraw/zinc/88/27/49/880882749.db2.gz MFBWUFNRLBABJC-QFIPXVFZSA-N 2 2 408.933 4.148 20 0 HIADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000467169112 880897749 /nfs/dbraw/zinc/89/77/49/880897749.db2.gz KWDMFEQQPNQSEU-GOSISDBHSA-N 2 2 410.002 4.107 20 0 HIADLP COc1cccc([C@@H](C)CCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000469129196 883224850 /nfs/dbraw/zinc/22/48/50/883224850.db2.gz SGEAALJAOSOTLH-NRFANRHFSA-N 2 2 415.622 4.036 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469787360 883962945 /nfs/dbraw/zinc/96/29/45/883962945.db2.gz OMDKJWLIDSVKQD-WTNAPCKOSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469787360 883962963 /nfs/dbraw/zinc/96/29/63/883962963.db2.gz OMDKJWLIDSVKQD-WTNAPCKOSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469787360 883962978 /nfs/dbraw/zinc/96/29/78/883962978.db2.gz OMDKJWLIDSVKQD-WTNAPCKOSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469787360 883962997 /nfs/dbraw/zinc/96/29/97/883962997.db2.gz OMDKJWLIDSVKQD-WTNAPCKOSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469865262 884053180 /nfs/dbraw/zinc/05/31/80/884053180.db2.gz VDVQKKQGWCTGEP-QTEQDKRBSA-N 2 2 409.578 4.050 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469865262 884053200 /nfs/dbraw/zinc/05/32/00/884053200.db2.gz VDVQKKQGWCTGEP-QTEQDKRBSA-N 2 2 409.578 4.050 20 0 HIADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503920859 912865162 /nfs/dbraw/zinc/86/51/62/912865162.db2.gz PZVXEBUXFAHGQR-YLJYHZDGSA-N 2 2 424.427 4.213 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000471220944 885795510 /nfs/dbraw/zinc/79/55/10/885795510.db2.gz QIMJLGJTMMAYJG-JKFKMHIGSA-N 2 2 413.993 4.208 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000471220944 885795519 /nfs/dbraw/zinc/79/55/19/885795519.db2.gz QIMJLGJTMMAYJG-JKFKMHIGSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000471220944 885795527 /nfs/dbraw/zinc/79/55/27/885795527.db2.gz QIMJLGJTMMAYJG-JKFKMHIGSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000471220944 885795539 /nfs/dbraw/zinc/79/55/39/885795539.db2.gz QIMJLGJTMMAYJG-JKFKMHIGSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000471813367 886555013 /nfs/dbraw/zinc/55/50/13/886555013.db2.gz YVTYMIKGFUWZAI-HXUWFJFHSA-N 2 2 419.573 4.128 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471962892 886787928 /nfs/dbraw/zinc/78/79/28/886787928.db2.gz GIGYFUFAHSASBL-LEWJYISDSA-N 2 2 418.944 4.150 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471962892 886787943 /nfs/dbraw/zinc/78/79/43/886787943.db2.gz GIGYFUFAHSASBL-LEWJYISDSA-N 2 2 418.944 4.150 20 0 HIADLP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)c2)CC1 ZINC000504199060 913079893 /nfs/dbraw/zinc/07/98/93/913079893.db2.gz IPBBVWVWWRPNDA-JOCHJYFZSA-N 2 2 414.981 4.112 20 0 HIADLP CCCCOc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(Cl)c1 ZINC000472306741 887131546 /nfs/dbraw/zinc/13/15/46/887131546.db2.gz UIZWZNCKZVNLJM-UHFFFAOYSA-N 2 2 422.013 4.199 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH+]2Cc2cccs2)cc1)C1CC1 ZINC000472607297 887477143 /nfs/dbraw/zinc/47/71/43/887477143.db2.gz WNJXPWWNAYTAPH-FPOVZHCZSA-N 2 2 415.578 4.075 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH+]2Cc2cccs2)cc1)C1CC1 ZINC000472607297 887477148 /nfs/dbraw/zinc/47/71/48/887477148.db2.gz WNJXPWWNAYTAPH-FPOVZHCZSA-N 2 2 415.578 4.075 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)cc1)C1CC1 ZINC000472607297 887477150 /nfs/dbraw/zinc/47/71/50/887477150.db2.gz WNJXPWWNAYTAPH-FPOVZHCZSA-N 2 2 415.578 4.075 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)cc1)C1CC1 ZINC000472607297 887477157 /nfs/dbraw/zinc/47/71/57/887477157.db2.gz WNJXPWWNAYTAPH-FPOVZHCZSA-N 2 2 415.578 4.075 20 0 HIADLP C[C@@H](CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[N@H+](C)Cc1ccccc1 ZINC000472778158 887623843 /nfs/dbraw/zinc/62/38/43/887623843.db2.gz XVLSYCRUNQNKJK-SFHVURJKSA-N 2 2 415.607 4.161 20 0 HIADLP C[C@@H](CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[N@@H+](C)Cc1ccccc1 ZINC000472778158 887623848 /nfs/dbraw/zinc/62/38/48/887623848.db2.gz XVLSYCRUNQNKJK-SFHVURJKSA-N 2 2 415.607 4.161 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(Cl)cc3)n2C)cc1 ZINC000473047306 887869996 /nfs/dbraw/zinc/86/99/96/887869996.db2.gz FQNQIMCZKQGLOJ-OAHLLOKOSA-N 2 2 406.921 4.480 20 0 HIADLP O=C1[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN1c1ccc(Cl)cc1Cl ZINC000473988969 888850174 /nfs/dbraw/zinc/85/01/74/888850174.db2.gz JRPIONUYBLHXDS-SFHVURJKSA-N 2 2 401.297 4.074 20 0 HIADLP O=C1[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1c1ccc(Cl)cc1Cl ZINC000474007513 888865169 /nfs/dbraw/zinc/86/51/69/888865169.db2.gz JBYALIPWCXHLDV-MRXNPFEDSA-N 2 2 407.326 4.136 20 0 HIADLP O=C1[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCN1c1ccc(Cl)cc1Cl ZINC000474421187 889285870 /nfs/dbraw/zinc/28/58/70/889285870.db2.gz KOYUGYRLBBFWDX-GOSISDBHSA-N 2 2 419.356 4.142 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CCc1ccc(I)cc1)CCC2 ZINC000474805354 889658625 /nfs/dbraw/zinc/65/86/25/889658625.db2.gz CEYROGCLGFTFNA-YOEHRIQHSA-N 2 2 423.342 4.284 20 0 HIADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475221394 890089655 /nfs/dbraw/zinc/08/96/55/890089655.db2.gz VOEILFNUEZAPHU-GOSISDBHSA-N 2 2 407.539 4.151 20 0 HIADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475221394 890089673 /nfs/dbraw/zinc/08/96/73/890089673.db2.gz VOEILFNUEZAPHU-GOSISDBHSA-N 2 2 407.539 4.151 20 0 HIADLP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000475350200 890274171 /nfs/dbraw/zinc/27/41/71/890274171.db2.gz CCUHZWKDWGPAIM-UHFFFAOYSA-N 2 2 404.517 4.282 20 0 HIADLP COc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OC(F)F ZINC000475356448 890281636 /nfs/dbraw/zinc/28/16/36/890281636.db2.gz UAHSTZAYMRKREF-UHFFFAOYSA-N 2 2 408.411 4.192 20 0 HIADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)c1 ZINC000475357612 890284487 /nfs/dbraw/zinc/28/44/87/890284487.db2.gz VRJAXSMFRRJJKH-IPJUCJBFSA-N 2 2 411.512 4.415 20 0 HIADLP CSc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000475976475 890892648 /nfs/dbraw/zinc/89/26/48/890892648.db2.gz YMDZVIQORXSXGI-UHFFFAOYSA-N 2 2 411.015 4.134 20 0 HIADLP CCC1(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000476461592 891374022 /nfs/dbraw/zinc/37/40/22/891374022.db2.gz PSZVDADLALOVDD-OAQYLSRUSA-N 2 2 422.617 4.447 20 0 HIADLP CCC1(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000476461592 891374042 /nfs/dbraw/zinc/37/40/42/891374042.db2.gz PSZVDADLALOVDD-OAQYLSRUSA-N 2 2 422.617 4.447 20 0 HIADLP Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477025540 891952794 /nfs/dbraw/zinc/95/27/94/891952794.db2.gz NJPZVFGHDGPOTM-LJQANCHMSA-N 2 2 423.605 4.116 20 0 HIADLP Cc1cc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477025540 891952809 /nfs/dbraw/zinc/95/28/09/891952809.db2.gz NJPZVFGHDGPOTM-LJQANCHMSA-N 2 2 423.605 4.116 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000477709359 892820328 /nfs/dbraw/zinc/82/03/28/892820328.db2.gz GKKNPYGZIJUXRM-UHFFFAOYSA-N 2 2 415.965 4.230 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000477709359 892820330 /nfs/dbraw/zinc/82/03/30/892820330.db2.gz GKKNPYGZIJUXRM-UHFFFAOYSA-N 2 2 415.965 4.230 20 0 HIADLP C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H](c1ccccc1)[NH+](C)C ZINC000479062998 894323254 /nfs/dbraw/zinc/32/32/54/894323254.db2.gz YYLVQGCCDQZHAU-KOSHJBKYSA-N 2 2 415.541 4.415 20 0 HIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2c(Br)cc(Br)cc21 ZINC000479329934 894621615 /nfs/dbraw/zinc/62/16/15/894621615.db2.gz HUNYJVGMZIPERG-BZNIZROVSA-N 2 2 413.157 4.464 20 0 HIADLP C[C@@H]1CN(c2ccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c[nH+]2)C[C@@H](C)O1 ZINC000479476450 894800324 /nfs/dbraw/zinc/80/03/24/894800324.db2.gz QMXKYGJGSYPACO-NDAONFMYSA-N 2 2 406.574 4.303 20 0 HIADLP C[C@@H]1CN(c2ccc(N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c[nH+]2)C[C@@H](C)O1 ZINC000479476450 894800326 /nfs/dbraw/zinc/80/03/26/894800326.db2.gz QMXKYGJGSYPACO-NDAONFMYSA-N 2 2 406.574 4.303 20 0 HIADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]C3CC[NH+](C4CC4)CC3)s2)cc1OC ZINC000480252669 895662429 /nfs/dbraw/zinc/66/24/29/895662429.db2.gz JQGAAFHBXHXKFR-HNNXBMFYSA-N 2 2 415.603 4.337 20 0 HIADLP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000480256289 895667058 /nfs/dbraw/zinc/66/70/58/895667058.db2.gz ACENQHLYTYGUPE-GJZUVCINSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000480256289 895667065 /nfs/dbraw/zinc/66/70/65/895667065.db2.gz ACENQHLYTYGUPE-GJZUVCINSA-N 3 2 406.618 4.314 20 0 HIADLP COC(=O)c1csc(-c2cccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)c2)n1 ZINC000480494002 895866156 /nfs/dbraw/zinc/86/61/56/895866156.db2.gz PGJANRSCALWREP-UHFFFAOYSA-N 2 2 404.495 4.072 20 0 HIADLP COc1cc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)ccc1OC(F)F ZINC000480562233 895922054 /nfs/dbraw/zinc/92/20/54/895922054.db2.gz ZEUAVAHDSZTXAZ-MRXNPFEDSA-N 2 2 401.457 4.435 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000480602198 895965997 /nfs/dbraw/zinc/96/59/97/895965997.db2.gz AOBWXGFNYQKEMU-GBXCKJPGSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000480602198 895966008 /nfs/dbraw/zinc/96/60/08/895966008.db2.gz AOBWXGFNYQKEMU-GBXCKJPGSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000480612358 895978609 /nfs/dbraw/zinc/97/86/09/895978609.db2.gz LQCYVTJIFXSIQP-UFPGJGBJSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000480612358 895978614 /nfs/dbraw/zinc/97/86/14/895978614.db2.gz LQCYVTJIFXSIQP-UFPGJGBJSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000480612358 895978619 /nfs/dbraw/zinc/97/86/19/895978619.db2.gz LQCYVTJIFXSIQP-UFPGJGBJSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000480612358 895978623 /nfs/dbraw/zinc/97/86/23/895978623.db2.gz LQCYVTJIFXSIQP-UFPGJGBJSA-N 3 2 406.618 4.456 20 0 HIADLP O[C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)C[N@@H+]1CCc2ccccc2C1 ZINC000480788977 896156422 /nfs/dbraw/zinc/15/64/22/896156422.db2.gz SBRSTBIJANOQNV-FGZHOGPDSA-N 2 2 419.594 4.196 20 0 HIADLP O[C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)C[N@H+]1CCc2ccccc2C1 ZINC000480788977 896156431 /nfs/dbraw/zinc/15/64/31/896156431.db2.gz SBRSTBIJANOQNV-FGZHOGPDSA-N 2 2 419.594 4.196 20 0 HIADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)cs2)cs1 ZINC000480808793 896176734 /nfs/dbraw/zinc/17/67/34/896176734.db2.gz CZACTMLTUJRWNE-MGPUTAFESA-N 2 2 413.612 4.250 20 0 HIADLP Cc1nc(-c2cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)cs2)cs1 ZINC000480808793 896176752 /nfs/dbraw/zinc/17/67/52/896176752.db2.gz CZACTMLTUJRWNE-MGPUTAFESA-N 2 2 413.612 4.250 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1nc(-c2ccccc2)cs1 ZINC000480920813 896279275 /nfs/dbraw/zinc/27/92/75/896279275.db2.gz NJQIOXMHRJGZGV-LJQANCHMSA-N 2 2 406.599 4.408 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1nc(-c2ccccc2)cs1 ZINC000480920813 896279282 /nfs/dbraw/zinc/27/92/82/896279282.db2.gz NJQIOXMHRJGZGV-LJQANCHMSA-N 2 2 406.599 4.408 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000481017341 896347050 /nfs/dbraw/zinc/34/70/50/896347050.db2.gz CFXSEPGBMYFCCF-WMZHIEFXSA-N 2 2 413.993 4.283 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000481017341 896347072 /nfs/dbraw/zinc/34/70/72/896347072.db2.gz CFXSEPGBMYFCCF-WMZHIEFXSA-N 2 2 413.993 4.283 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000481170045 896505462 /nfs/dbraw/zinc/50/54/62/896505462.db2.gz ODHNLWIRRPDZQM-JXFKEZNVSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000481170045 896505471 /nfs/dbraw/zinc/50/54/71/896505471.db2.gz ODHNLWIRRPDZQM-JXFKEZNVSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000481180660 896520679 /nfs/dbraw/zinc/52/06/79/896520679.db2.gz XJTZWBUAXNQTRH-SQJMNOBHSA-N 2 2 417.553 4.313 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000481180660 896520706 /nfs/dbraw/zinc/52/07/06/896520706.db2.gz XJTZWBUAXNQTRH-SQJMNOBHSA-N 2 2 417.553 4.313 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1OC(F)(F)F ZINC000481188765 896536004 /nfs/dbraw/zinc/53/60/04/896536004.db2.gz HPHFTDMKZUOOLP-QGZVFWFLSA-N 2 2 424.463 4.147 20 0 HIADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481188925 896536325 /nfs/dbraw/zinc/53/63/25/896536325.db2.gz LLLCOULRQGIYLE-URXFXBBRSA-N 2 2 420.601 4.034 20 0 HIADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481188925 896536346 /nfs/dbraw/zinc/53/63/46/896536346.db2.gz LLLCOULRQGIYLE-URXFXBBRSA-N 2 2 420.601 4.034 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(F)cc1Cl ZINC000481190034 896538848 /nfs/dbraw/zinc/53/88/48/896538848.db2.gz OBWTVIUAHYOZRC-GUXCAODWSA-N 2 2 403.929 4.306 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(F)cc1Cl ZINC000481190034 896538861 /nfs/dbraw/zinc/53/88/61/896538861.db2.gz OBWTVIUAHYOZRC-GUXCAODWSA-N 2 2 403.929 4.306 20 0 HIADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc(Cl)ccc1OC ZINC000481192821 896545568 /nfs/dbraw/zinc/54/55/68/896545568.db2.gz QZJNGTYRGLGCIX-OAQYLSRUSA-N 2 2 418.965 4.301 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1nc2ccccc2s1 ZINC000481193950 896547331 /nfs/dbraw/zinc/54/73/31/896547331.db2.gz VQZBDNDFIAJXAV-JENIJYKNSA-N 2 2 408.571 4.124 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1nc2ccccc2s1 ZINC000481193950 896547349 /nfs/dbraw/zinc/54/73/49/896547349.db2.gz VQZBDNDFIAJXAV-JENIJYKNSA-N 2 2 408.571 4.124 20 0 HIADLP O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000481881644 897253407 /nfs/dbraw/zinc/25/34/07/897253407.db2.gz SLYKVXSTAHZTMV-JOCHJYFZSA-N 2 2 414.553 4.025 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481963588 897353726 /nfs/dbraw/zinc/35/37/26/897353726.db2.gz YNGVBAAWKAOSPZ-JPYJTQIMSA-N 2 2 410.949 4.250 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000482114666 897566433 /nfs/dbraw/zinc/56/64/33/897566433.db2.gz OKLGMCZTANKROP-MBSDFSHPSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000482114666 897566444 /nfs/dbraw/zinc/56/64/44/897566444.db2.gz OKLGMCZTANKROP-MBSDFSHPSA-N 2 2 406.505 4.408 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000482128183 897585709 /nfs/dbraw/zinc/58/57/09/897585709.db2.gz QDNURGWFCLNOQM-RKVPGOIHSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)[C@H](C)C1 ZINC000482128183 897585733 /nfs/dbraw/zinc/58/57/33/897585733.db2.gz QDNURGWFCLNOQM-RKVPGOIHSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000482128182 897586382 /nfs/dbraw/zinc/58/63/82/897586382.db2.gz QDNURGWFCLNOQM-MPGHIAIKSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C)C1 ZINC000482128182 897586387 /nfs/dbraw/zinc/58/63/87/897586387.db2.gz QDNURGWFCLNOQM-MPGHIAIKSA-N 2 2 416.393 4.047 20 0 HIADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nnn1-c1ccc(F)cc1 ZINC000482130724 897587899 /nfs/dbraw/zinc/58/78/99/897587899.db2.gz VKFFGSMMQMMZEK-WMZOPIPTSA-N 2 2 413.566 4.339 20 0 HIADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nnn1-c1ccc(F)cc1 ZINC000482130724 897587916 /nfs/dbraw/zinc/58/79/16/897587916.db2.gz VKFFGSMMQMMZEK-WMZOPIPTSA-N 2 2 413.566 4.339 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000482784279 898392503 /nfs/dbraw/zinc/39/25/03/898392503.db2.gz AFQZFGBMVUAISR-CRAIPNDOSA-N 2 2 405.384 4.331 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000482784279 898392514 /nfs/dbraw/zinc/39/25/14/898392514.db2.gz AFQZFGBMVUAISR-CRAIPNDOSA-N 2 2 405.384 4.331 20 0 HIADLP CC1CCC(Oc2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)ccn2)CC1 ZINC000482959858 898590016 /nfs/dbraw/zinc/59/00/16/898590016.db2.gz LLRGZOYCFIWSGU-XGKKNITLSA-N 2 2 408.590 4.434 20 0 HIADLP CC1CCC(Oc2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)ccn2)CC1 ZINC000482959858 898590029 /nfs/dbraw/zinc/59/00/29/898590029.db2.gz LLRGZOYCFIWSGU-XGKKNITLSA-N 2 2 408.590 4.434 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2Br)[C@@H](C)C1 ZINC000483131793 898814075 /nfs/dbraw/zinc/81/40/75/898814075.db2.gz RKCVKLTYNOMVPP-KHYOSLBOSA-N 2 2 401.364 4.376 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2Br)[C@@H](C)C1 ZINC000483131793 898814076 /nfs/dbraw/zinc/81/40/76/898814076.db2.gz RKCVKLTYNOMVPP-KHYOSLBOSA-N 2 2 401.364 4.376 20 0 HIADLP Cc1c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000484149014 899770069 /nfs/dbraw/zinc/77/00/69/899770069.db2.gz SNNXDGKHOVKRPE-MHECFPHRSA-N 2 2 424.976 4.122 20 0 HIADLP Cc1c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000484149014 899770078 /nfs/dbraw/zinc/77/00/78/899770078.db2.gz SNNXDGKHOVKRPE-MHECFPHRSA-N 2 2 424.976 4.122 20 0 HIADLP CC[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc2c(c1)OCCO2 ZINC000484164460 899783671 /nfs/dbraw/zinc/78/36/71/899783671.db2.gz RCJFQGBAUDBCJC-DENIHFKCSA-N 2 2 410.558 4.399 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(-c2ccncc2)c1 ZINC000484178830 899796866 /nfs/dbraw/zinc/79/68/66/899796866.db2.gz RAALKINUGQXWES-YMSRPXOMSA-N 2 2 401.554 4.282 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(-c2ccncc2)c1 ZINC000484178830 899796874 /nfs/dbraw/zinc/79/68/74/899796874.db2.gz RAALKINUGQXWES-YMSRPXOMSA-N 2 2 401.554 4.282 20 0 HIADLP COc1ccc(C[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)c2ccc(OC)cc2)cc1 ZINC000484490135 899981817 /nfs/dbraw/zinc/98/18/17/899981817.db2.gz XBEGFOKUCVPVSQ-GOTSBHOMSA-N 2 2 400.588 4.015 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)nnn1-c1ccccc1 ZINC000484505237 899996364 /nfs/dbraw/zinc/99/63/64/899996364.db2.gz UYLAVYZYRLNADI-CMCWBKRRSA-N 2 2 403.574 4.383 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)nnn1-c1ccccc1 ZINC000484505237 899996367 /nfs/dbraw/zinc/99/63/67/899996367.db2.gz UYLAVYZYRLNADI-CMCWBKRRSA-N 2 2 403.574 4.383 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485350002 900642569 /nfs/dbraw/zinc/64/25/69/900642569.db2.gz SEOOLMWUALTBPE-NHCICSSKSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485350002 900642582 /nfs/dbraw/zinc/64/25/82/900642582.db2.gz SEOOLMWUALTBPE-NHCICSSKSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000485350002 900642591 /nfs/dbraw/zinc/64/25/91/900642591.db2.gz SEOOLMWUALTBPE-NHCICSSKSA-N 2 2 407.558 4.009 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000485350002 900642598 /nfs/dbraw/zinc/64/25/98/900642598.db2.gz SEOOLMWUALTBPE-NHCICSSKSA-N 2 2 407.558 4.009 20 0 HIADLP C[NH+](C)C1(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CCCCC1 ZINC000485370947 900669504 /nfs/dbraw/zinc/66/95/04/900669504.db2.gz DTLCYUSATZGSIM-UHFFFAOYSA-N 2 2 417.985 4.013 20 0 HIADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486158360 901346085 /nfs/dbraw/zinc/34/60/85/901346085.db2.gz NEOVLHLTZKTAMY-AKHDSKFASA-N 2 2 424.054 4.301 20 0 HIADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486158360 901346089 /nfs/dbraw/zinc/34/60/89/901346089.db2.gz NEOVLHLTZKTAMY-AKHDSKFASA-N 2 2 424.054 4.301 20 0 HIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)OCCO2 ZINC000506018083 914696984 /nfs/dbraw/zinc/69/69/84/914696984.db2.gz XZQXOHOXRMHNBU-UHFFFAOYSA-N 2 2 407.514 4.146 20 0 HIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)OCCO2 ZINC000506018083 914697003 /nfs/dbraw/zinc/69/70/03/914697003.db2.gz XZQXOHOXRMHNBU-UHFFFAOYSA-N 2 2 407.514 4.146 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccccc2C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489254607 903292359 /nfs/dbraw/zinc/29/23/59/903292359.db2.gz KHEOMBFOGBWCCY-MNHALERFSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccccc2C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489254607 903292370 /nfs/dbraw/zinc/29/23/70/903292370.db2.gz KHEOMBFOGBWCCY-MNHALERFSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccccc2C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489254607 903292378 /nfs/dbraw/zinc/29/23/78/903292378.db2.gz KHEOMBFOGBWCCY-MNHALERFSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccccc2C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489254607 903292391 /nfs/dbraw/zinc/29/23/91/903292391.db2.gz KHEOMBFOGBWCCY-MNHALERFSA-N 4 2 414.682 4.296 20 0 HIADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489257494 903293524 /nfs/dbraw/zinc/29/35/24/903293524.db2.gz RCJCUAGALIIAQT-DEOSSOPVSA-N 2 2 408.590 4.230 20 0 HIADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489257494 903293534 /nfs/dbraw/zinc/29/35/34/903293534.db2.gz RCJCUAGALIIAQT-DEOSSOPVSA-N 2 2 408.590 4.230 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000489290572 903311834 /nfs/dbraw/zinc/31/18/34/903311834.db2.gz LGNHTZALVGMNJX-SFHVURJKSA-N 2 2 412.603 4.369 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000489290572 903311849 /nfs/dbraw/zinc/31/18/49/903311849.db2.gz LGNHTZALVGMNJX-SFHVURJKSA-N 2 2 412.603 4.369 20 0 HIADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1 ZINC000489428511 903379431 /nfs/dbraw/zinc/37/94/31/903379431.db2.gz YDVFMWCKNKBSQQ-UHFFFAOYSA-N 2 2 415.607 4.033 20 0 HIADLP c1cc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)cc(C[NH+]2CCOCC2)c1 ZINC000489574621 903472765 /nfs/dbraw/zinc/47/27/65/903472765.db2.gz SJVZLTGGIZHBAM-VWLOTQADSA-N 2 2 406.570 4.401 20 0 HIADLP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000506035320 914721270 /nfs/dbraw/zinc/72/12/70/914721270.db2.gz FRJONJOKZXESTN-QGZVFWFLSA-N 2 2 406.521 4.317 20 0 HIADLP OC1CC[NH+](CCC[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)CC1 ZINC000490163700 903804055 /nfs/dbraw/zinc/80/40/55/903804055.db2.gz GFAJTRVLVUNJKA-NRFANRHFSA-N 2 2 421.354 4.114 20 0 HIADLP CCOc1ccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2Cl)cc1 ZINC000491024568 904374687 /nfs/dbraw/zinc/37/46/87/904374687.db2.gz UEFHSIQMLYSHPN-FDDCHVKYSA-N 2 2 401.982 4.054 20 0 HIADLP C[C@H](C[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F)CN1CC[NH+](C)CC1 ZINC000491061574 904405320 /nfs/dbraw/zinc/40/53/20/904405320.db2.gz RQYOBUWMOZTAIS-ZHRRBRCNSA-N 2 2 407.936 4.181 20 0 HIADLP COc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)cc1 ZINC000491425212 904591639 /nfs/dbraw/zinc/59/16/39/904591639.db2.gz ZZZFXDJPDCBXOL-SANMLTNESA-N 2 2 402.538 4.407 20 0 HIADLP Cn1cc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2cccc(F)c2)cn1 ZINC000492100264 904798924 /nfs/dbraw/zinc/79/89/24/904798924.db2.gz JGIFKBISVFFJIH-AAZCMCCISA-N 2 2 404.533 4.434 20 0 HIADLP Cn1cc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2cccc(F)c2)cn1 ZINC000492100264 904798942 /nfs/dbraw/zinc/79/89/42/904798942.db2.gz JGIFKBISVFFJIH-AAZCMCCISA-N 2 2 404.533 4.434 20 0 HIADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000494039991 905383102 /nfs/dbraw/zinc/38/31/02/905383102.db2.gz WEZBRWFRHUXUEY-UCFCWBNQSA-N 2 2 420.601 4.272 20 0 HIADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000494039991 905383130 /nfs/dbraw/zinc/38/31/30/905383130.db2.gz WEZBRWFRHUXUEY-UCFCWBNQSA-N 2 2 420.601 4.272 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000512423233 921150223 /nfs/dbraw/zinc/15/02/23/921150223.db2.gz DRKXDNQEDIBVHD-KNQAVFIVSA-N 2 2 424.589 4.149 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000512423233 921150228 /nfs/dbraw/zinc/15/02/28/921150228.db2.gz DRKXDNQEDIBVHD-KNQAVFIVSA-N 2 2 424.589 4.149 20 0 HIADLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000494402053 905694293 /nfs/dbraw/zinc/69/42/93/905694293.db2.gz BNQRQIAFDMOHGD-ZEQRLZLVSA-N 2 2 421.589 4.208 20 0 HIADLP CC(C)c1cnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000494915048 906088513 /nfs/dbraw/zinc/08/85/13/906088513.db2.gz ALJMSJDZYJZLBO-MSOLQXFVSA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)c1cnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000494915048 906088526 /nfs/dbraw/zinc/08/85/26/906088526.db2.gz ALJMSJDZYJZLBO-MSOLQXFVSA-N 2 2 407.628 4.067 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000496914890 906779045 /nfs/dbraw/zinc/77/90/45/906779045.db2.gz KYJSUTADQWIDFP-UHFFFAOYSA-N 2 2 422.960 4.323 20 0 HIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)c[nH+]1 ZINC000512643111 921271376 /nfs/dbraw/zinc/27/13/76/921271376.db2.gz VRZGCOQPMLOVNB-KKUQBAQOSA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)c[nH+]1 ZINC000512643111 921271379 /nfs/dbraw/zinc/27/13/79/921271379.db2.gz VRZGCOQPMLOVNB-KKUQBAQOSA-N 3 2 400.570 4.322 20 0 HIADLP CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497491683 906975247 /nfs/dbraw/zinc/97/52/47/906975247.db2.gz GFCQCDHLMAJYLL-JKWVGCSGSA-N 2 2 406.412 4.143 20 0 HIADLP CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497491683 906975266 /nfs/dbraw/zinc/97/52/66/906975266.db2.gz GFCQCDHLMAJYLL-JKWVGCSGSA-N 2 2 406.412 4.143 20 0 HIADLP COc1ccc(-n2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n2)cc1 ZINC000499148789 908508171 /nfs/dbraw/zinc/50/81/71/908508171.db2.gz DSIXOFXVCQOEBO-ULPXVVAUSA-N 2 2 402.542 4.166 20 0 HIADLP COc1ccc(-n2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2)cc1 ZINC000499148789 908508180 /nfs/dbraw/zinc/50/81/80/908508180.db2.gz DSIXOFXVCQOEBO-ULPXVVAUSA-N 2 2 402.542 4.166 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)oc1C ZINC000513058683 921516038 /nfs/dbraw/zinc/51/60/38/921516038.db2.gz PYNMDSZXWMNQLI-YADARESESA-N 3 2 410.606 4.146 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)oc1C ZINC000513058683 921516049 /nfs/dbraw/zinc/51/60/49/921516049.db2.gz PYNMDSZXWMNQLI-YADARESESA-N 3 2 410.606 4.146 20 0 HIADLP CC1(C)CC(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC(C)(C)[NH2+]1 ZINC000501050944 910261308 /nfs/dbraw/zinc/26/13/08/910261308.db2.gz CBWRUWLKBOJYHU-GOSISDBHSA-N 2 2 424.992 4.224 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccsc1 ZINC000501110587 910299246 /nfs/dbraw/zinc/29/92/46/910299246.db2.gz VJEDUJCZNDMUCQ-FQEVSTJZSA-N 2 2 415.607 4.016 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501364206 910493306 /nfs/dbraw/zinc/49/33/06/910493306.db2.gz HRXAEGOYNFHQLY-RPBOFIJWSA-N 2 2 414.553 4.058 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000501364206 910493325 /nfs/dbraw/zinc/49/33/25/910493325.db2.gz HRXAEGOYNFHQLY-RPBOFIJWSA-N 2 2 414.553 4.058 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCC[NH+](C)C2CCCCC2)C[C@H](C)O1 ZINC000501574725 910681693 /nfs/dbraw/zinc/68/16/93/910681693.db2.gz HBBNQCIDYZKSGP-BGYRXZFFSA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCC[NH+](C)C2CCCCC2)C[C@H](C)O1 ZINC000501574725 910681710 /nfs/dbraw/zinc/68/17/10/910681710.db2.gz HBBNQCIDYZKSGP-BGYRXZFFSA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[N@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000501574725 910681719 /nfs/dbraw/zinc/68/17/19/910681719.db2.gz HBBNQCIDYZKSGP-BGYRXZFFSA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@H](C)O1 ZINC000501574725 910681731 /nfs/dbraw/zinc/68/17/31/910681731.db2.gz HBBNQCIDYZKSGP-BGYRXZFFSA-N 2 2 416.610 4.072 20 0 HIADLP CN(c1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC[NH+](C)CC1 ZINC000502331647 911311720 /nfs/dbraw/zinc/31/17/20/911311720.db2.gz JHDMDRFZTQBCTO-JOCHJYFZSA-N 3 2 421.633 4.129 20 0 HIADLP CN(c1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC[NH+](C)CC1 ZINC000502331647 911311747 /nfs/dbraw/zinc/31/17/47/911311747.db2.gz JHDMDRFZTQBCTO-JOCHJYFZSA-N 3 2 421.633 4.129 20 0 HIADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000503082033 912051352 /nfs/dbraw/zinc/05/13/52/912051352.db2.gz WQOSEWHLLYBDOG-UHFFFAOYSA-N 2 2 422.373 4.190 20 0 HIADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000503082033 912051372 /nfs/dbraw/zinc/05/13/72/912051372.db2.gz WQOSEWHLLYBDOG-UHFFFAOYSA-N 2 2 422.373 4.190 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503088726 912058543 /nfs/dbraw/zinc/05/85/43/912058543.db2.gz UUCWMCHAEWRNLO-RDGATRHJSA-N 2 2 416.569 4.038 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000503088726 912058564 /nfs/dbraw/zinc/05/85/64/912058564.db2.gz UUCWMCHAEWRNLO-RDGATRHJSA-N 2 2 416.569 4.038 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000508065021 916888558 /nfs/dbraw/zinc/88/85/58/916888558.db2.gz RSARNPSWEGHIHC-LJQANCHMSA-N 2 2 424.372 4.286 20 0 HIADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000508065021 916888559 /nfs/dbraw/zinc/88/85/59/916888559.db2.gz RSARNPSWEGHIHC-LJQANCHMSA-N 2 2 424.372 4.286 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000508635128 917399795 /nfs/dbraw/zinc/39/97/95/917399795.db2.gz GQSRBNBHVRQVJL-OAQYLSRUSA-N 2 2 405.590 4.417 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000508635128 917399818 /nfs/dbraw/zinc/39/98/18/917399818.db2.gz GQSRBNBHVRQVJL-OAQYLSRUSA-N 2 2 405.590 4.417 20 0 HIADLP C[C@@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508877255 917630017 /nfs/dbraw/zinc/63/00/17/917630017.db2.gz XUFQSMGTNYVYBD-ZSTWQFLISA-N 2 2 424.589 4.109 20 0 HIADLP C[C@@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508877255 917630024 /nfs/dbraw/zinc/63/00/24/917630024.db2.gz XUFQSMGTNYVYBD-ZSTWQFLISA-N 2 2 424.589 4.109 20 0 HIADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[NH+](C)C ZINC000508897779 917652767 /nfs/dbraw/zinc/65/27/67/917652767.db2.gz KIPLILXNRGTOSW-MZKRTTBSSA-N 2 2 423.605 4.108 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000509029225 917783556 /nfs/dbraw/zinc/78/35/56/917783556.db2.gz DGPDTGCCHCNJNO-WMQCIHAUSA-N 2 2 417.985 4.212 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000509029225 917783566 /nfs/dbraw/zinc/78/35/66/917783566.db2.gz DGPDTGCCHCNJNO-WMQCIHAUSA-N 2 2 417.985 4.212 20 0 HIADLP CC(C)(C[NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000509634951 918277362 /nfs/dbraw/zinc/27/73/62/918277362.db2.gz QHHIRQSDENZTGM-UHFFFAOYSA-N 2 2 422.013 4.000 20 0 HIADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)[NH+](C)C ZINC000510552543 918996466 /nfs/dbraw/zinc/99/64/66/918996466.db2.gz VYMXXTQACLXSRQ-UUOWRZLLSA-N 2 2 417.557 4.127 20 0 HIADLP Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc4c3C[N@H+](CC(C)C)C4)CC2)cs1 ZINC000511415858 920029449 /nfs/dbraw/zinc/02/94/49/920029449.db2.gz TTZZZACTVZWSTC-UHFFFAOYSA-N 2 2 412.603 4.274 20 0 HIADLP Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc4c3C[N@@H+](CC(C)C)C4)CC2)cs1 ZINC000511415858 920029461 /nfs/dbraw/zinc/02/94/61/920029461.db2.gz TTZZZACTVZWSTC-UHFFFAOYSA-N 2 2 412.603 4.274 20 0 HIADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](CCc4ccc5ccccc5c4)C3)CC2)nc1 ZINC000511615103 920269809 /nfs/dbraw/zinc/26/98/09/920269809.db2.gz IOXNDTSOSFSKQQ-DEOSSOPVSA-N 2 2 414.597 4.312 20 0 HIADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](CCc4ccc5ccccc5c4)C3)CC2)nc1 ZINC000511615103 920269834 /nfs/dbraw/zinc/26/98/34/920269834.db2.gz IOXNDTSOSFSKQQ-DEOSSOPVSA-N 2 2 414.597 4.312 20 0 HIADLP C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511949302 920705213 /nfs/dbraw/zinc/70/52/13/920705213.db2.gz QHMFSLYLALUVBP-KZNAEPCWSA-N 2 2 419.639 4.150 20 0 HIADLP C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511949302 920705238 /nfs/dbraw/zinc/70/52/38/920705238.db2.gz QHMFSLYLALUVBP-KZNAEPCWSA-N 2 2 419.639 4.150 20 0 HIADLP C[C@@H](NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511949302 920705270 /nfs/dbraw/zinc/70/52/70/920705270.db2.gz QHMFSLYLALUVBP-KZNAEPCWSA-N 2 2 419.639 4.150 20 0 HIADLP C[C@@H](NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511949302 920705300 /nfs/dbraw/zinc/70/53/00/920705300.db2.gz QHMFSLYLALUVBP-KZNAEPCWSA-N 2 2 419.639 4.150 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cscc3Br)cc2)C[C@H](C)O1 ZINC000512088940 920852737 /nfs/dbraw/zinc/85/27/37/920852737.db2.gz PXAKANIWIUSIJL-GASCZTMLSA-N 2 2 409.393 4.410 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cscc3Br)cc2)C[C@H](C)O1 ZINC000512088940 920852745 /nfs/dbraw/zinc/85/27/45/920852745.db2.gz PXAKANIWIUSIJL-GASCZTMLSA-N 2 2 409.393 4.410 20 0 HIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cccn3)cc2)s1 ZINC000512147447 920889904 /nfs/dbraw/zinc/88/99/04/920889904.db2.gz UEQYPFLPHFIJJV-UHFFFAOYSA-N 2 2 417.582 4.406 20 0 HIADLP Cc1cccn2cc(COc3ccc(C[NH+]4CCC(c5[nH]cc[nH+]5)CC4)cc3)nc12 ZINC000512365418 921107307 /nfs/dbraw/zinc/10/73/07/921107307.db2.gz XYYXGQKICGPOSB-UHFFFAOYSA-N 2 2 401.514 4.324 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)n2)cc1 ZINC000515162752 922962300 /nfs/dbraw/zinc/96/23/00/922962300.db2.gz NYJZXSZPWKBFRK-BWAGFHJFSA-N 2 2 418.541 4.260 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)n2)cc1 ZINC000515162752 922962322 /nfs/dbraw/zinc/96/23/22/922962322.db2.gz NYJZXSZPWKBFRK-BWAGFHJFSA-N 2 2 418.541 4.260 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)n2)cc1 ZINC000515162752 922962343 /nfs/dbraw/zinc/96/23/43/922962343.db2.gz NYJZXSZPWKBFRK-BWAGFHJFSA-N 2 2 418.541 4.260 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)n2)cc1 ZINC000515162752 922962350 /nfs/dbraw/zinc/96/23/50/922962350.db2.gz NYJZXSZPWKBFRK-BWAGFHJFSA-N 2 2 418.541 4.260 20 0 HIADLP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000515239102 923010591 /nfs/dbraw/zinc/01/05/91/923010591.db2.gz FUMDSUQIYAJEMA-JOCHJYFZSA-N 2 2 408.933 4.152 20 0 HIADLP CSC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000516594627 923806303 /nfs/dbraw/zinc/80/63/03/923806303.db2.gz FHCPJUZHXYIYPC-SFHVURJKSA-N 2 2 402.526 4.344 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)C1 ZINC000516642406 923827627 /nfs/dbraw/zinc/82/76/27/923827627.db2.gz GCRQYKCLIQZLDU-HXUWFJFHSA-N 2 2 417.557 4.104 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)C1 ZINC000516642406 923827631 /nfs/dbraw/zinc/82/76/31/923827631.db2.gz GCRQYKCLIQZLDU-HXUWFJFHSA-N 2 2 417.557 4.104 20 0 HIADLP C[C@H](c1cccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000517131591 924015492 /nfs/dbraw/zinc/01/54/92/924015492.db2.gz FQAUPBFDXLUWQC-HYBUGGRVSA-N 2 2 422.573 4.038 20 0 HIADLP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000517795302 926840483 /nfs/dbraw/zinc/84/04/83/926840483.db2.gz DBQOXIPSAYMQQA-UHFFFAOYSA-N 2 2 409.578 4.471 20 0 HIADLP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000517795302 926840486 /nfs/dbraw/zinc/84/04/86/926840486.db2.gz DBQOXIPSAYMQQA-UHFFFAOYSA-N 2 2 409.578 4.471 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000517918074 926890523 /nfs/dbraw/zinc/89/05/23/926890523.db2.gz WFOHABCQMIZMQC-OYRHEFFESA-N 2 2 423.605 4.251 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000517918074 926890527 /nfs/dbraw/zinc/89/05/27/926890527.db2.gz WFOHABCQMIZMQC-OYRHEFFESA-N 2 2 423.605 4.251 20 0 HIADLP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000518851129 927553758 /nfs/dbraw/zinc/55/37/58/927553758.db2.gz KUMYGMUHUKRXSC-UHFFFAOYSA-N 2 2 416.569 4.337 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000521836576 929488979 /nfs/dbraw/zinc/48/89/79/929488979.db2.gz LEKIYQZSFGMCSG-RTWAWAEBSA-N 2 2 417.644 4.037 20 0 HIADLP C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000524635038 929745284 /nfs/dbraw/zinc/74/52/84/929745284.db2.gz ZLNUUXYCOZVAAJ-PMACEKPBSA-N 2 2 424.589 4.331 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000525373311 930204109 /nfs/dbraw/zinc/20/41/09/930204109.db2.gz JXQFNJJRXPJEJG-UHFFFAOYSA-N 2 2 414.525 4.108 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000525373311 930204117 /nfs/dbraw/zinc/20/41/17/930204117.db2.gz JXQFNJJRXPJEJG-UHFFFAOYSA-N 2 2 414.525 4.108 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000525695811 930406913 /nfs/dbraw/zinc/40/69/13/930406913.db2.gz ADQVIYCWSKAHOR-MRXNPFEDSA-N 2 2 422.367 4.037 20 0 HIADLP COc1ccccc1[C@@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)[NH+]1CCCCC1 ZINC000530569849 930753119 /nfs/dbraw/zinc/75/31/19/930753119.db2.gz ZATAIGOLSBBWKX-HSZRJFAPSA-N 2 2 418.541 4.146 20 0 HIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000530870478 930843990 /nfs/dbraw/zinc/84/39/90/930843990.db2.gz RAUPQHHRSNULKJ-UHFFFAOYSA-N 2 2 404.986 4.122 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(-c2ccsc2)n1 ZINC000530952849 930866933 /nfs/dbraw/zinc/86/69/33/930866933.db2.gz CXJOJNFUZAOICE-UHFFFAOYSA-N 3 2 418.676 4.500 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(-c2ccsc2)n1 ZINC000530952849 930866939 /nfs/dbraw/zinc/86/69/39/930866939.db2.gz CXJOJNFUZAOICE-UHFFFAOYSA-N 3 2 418.676 4.500 20 0 HIADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000531711473 931169949 /nfs/dbraw/zinc/16/99/49/931169949.db2.gz IAWZSDKTBWDABX-OAHLLOKOSA-N 2 2 413.319 4.142 20 0 HIADLP Fc1cccc(Cl)c1CN1CCC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000532195137 931344399 /nfs/dbraw/zinc/34/43/99/931344399.db2.gz WOAFPQIUBPACFB-UHFFFAOYSA-N 2 2 412.940 4.478 20 0 HIADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OCC(=O)N(C)C ZINC000532212149 931354797 /nfs/dbraw/zinc/35/47/97/931354797.db2.gz WHPYQXUMVDPYKC-GCJKJVERSA-N 2 2 406.530 4.141 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000532212110 931355479 /nfs/dbraw/zinc/35/54/79/931355479.db2.gz XLZOKPXRIPEYLN-CPJSRVTESA-N 2 2 402.542 4.056 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000532212110 931355488 /nfs/dbraw/zinc/35/54/88/931355488.db2.gz XLZOKPXRIPEYLN-CPJSRVTESA-N 2 2 402.542 4.056 20 0 HIADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000532222122 931360418 /nfs/dbraw/zinc/36/04/18/931360418.db2.gz SHEYSHUQUFHTTM-OAHLLOKOSA-N 2 2 405.340 4.043 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(OCc2nccn2C)cc1 ZINC000532448195 931438520 /nfs/dbraw/zinc/43/85/20/931438520.db2.gz PBCHXBRRFWTHJG-LJQANCHMSA-N 2 2 401.514 4.095 20 0 HIADLP COc1cc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OCc1ccncc1 ZINC000532475897 931453188 /nfs/dbraw/zinc/45/31/88/931453188.db2.gz ONWZNCINPAIXBW-LJQANCHMSA-N 2 2 418.541 4.384 20 0 HIADLP Cc1sc2[nH]c(C[NH+]3CCC(C[NH+](C)C)CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000532477527 931453536 /nfs/dbraw/zinc/45/35/36/931453536.db2.gz IMHGANWJKZTFII-UHFFFAOYSA-N 2 2 410.587 4.454 20 0 HIADLP C[C@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000532486844 931457360 /nfs/dbraw/zinc/45/73/60/931457360.db2.gz VLMSKJBWHCHMMY-HUUCEWRRSA-N 2 2 402.608 4.246 20 0 HIADLP O=C(C[N@@H+]1CCCCC[C@H]1c1ccco1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532586468 931544684 /nfs/dbraw/zinc/54/46/84/931544684.db2.gz WPESJXRUTPJKQB-NRFANRHFSA-N 2 2 413.587 4.384 20 0 HIADLP O=C(C[N@H+]1CCCCC[C@H]1c1ccco1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532586468 931544696 /nfs/dbraw/zinc/54/46/96/931544696.db2.gz WPESJXRUTPJKQB-NRFANRHFSA-N 2 2 413.587 4.384 20 0 HIADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000532747217 931620866 /nfs/dbraw/zinc/62/08/66/931620866.db2.gz LZQZYKJCBIYEOR-MONBJTKQSA-N 2 2 402.485 4.441 20 0 HIADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000532747217 931620879 /nfs/dbraw/zinc/62/08/79/931620879.db2.gz LZQZYKJCBIYEOR-MONBJTKQSA-N 2 2 402.485 4.441 20 0 HIADLP CN(C(=O)c1[nH]c2ccccc2c1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648430 931944369 /nfs/dbraw/zinc/94/43/69/931944369.db2.gz NVVRJIOTVKZZDD-VQTJNVASSA-N 2 2 416.997 4.231 20 0 HIADLP CN(C(=O)c1[nH]c2ccccc2c1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648430 931944379 /nfs/dbraw/zinc/94/43/79/931944379.db2.gz NVVRJIOTVKZZDD-VQTJNVASSA-N 2 2 416.997 4.231 20 0 HIADLP C[C@@H]1CCc2c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)csc2C1 ZINC000533648460 931944747 /nfs/dbraw/zinc/94/47/47/931944747.db2.gz OGAVEPKYVBOTGV-WTNAPCKOSA-N 2 2 417.663 4.282 20 0 HIADLP C[C@@H]1CCc2c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)csc2C1 ZINC000533648460 931944751 /nfs/dbraw/zinc/94/47/51/931944751.db2.gz OGAVEPKYVBOTGV-WTNAPCKOSA-N 2 2 417.663 4.282 20 0 HIADLP Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)on2)cc1 ZINC000533649053 931945180 /nfs/dbraw/zinc/94/51/80/931945180.db2.gz PBNRWIBHHJLRDQ-XZOQPEGZSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)on2)cc1 ZINC000533649053 931945183 /nfs/dbraw/zinc/94/51/83/931945183.db2.gz PBNRWIBHHJLRDQ-XZOQPEGZSA-N 2 2 424.589 4.059 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682661 931968093 /nfs/dbraw/zinc/96/80/93/931968093.db2.gz KWDYLXYOKRWHNL-VXKWHMMOSA-N 2 2 415.940 4.250 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533682661 931968100 /nfs/dbraw/zinc/96/81/00/931968100.db2.gz KWDYLXYOKRWHNL-VXKWHMMOSA-N 2 2 415.940 4.250 20 0 HIADLP CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1Cl ZINC000533785863 932032939 /nfs/dbraw/zinc/03/29/39/932032939.db2.gz ZQJVZKWDYGMSHR-LJQANCHMSA-N 2 2 400.394 4.367 20 0 HIADLP Cc1cc(C)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534213725 932335836 /nfs/dbraw/zinc/33/58/36/932335836.db2.gz SZGKFQVRYATCHP-YADHBBJMSA-N 2 2 400.611 4.413 20 0 HIADLP Cc1cc(C)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534213725 932335843 /nfs/dbraw/zinc/33/58/43/932335843.db2.gz SZGKFQVRYATCHP-YADHBBJMSA-N 2 2 400.611 4.413 20 0 HIADLP C[C@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228057 932347855 /nfs/dbraw/zinc/34/78/55/932347855.db2.gz AKUBCBXSLJOUAY-GOSISDBHSA-N 2 2 413.512 4.280 20 0 HIADLP C[C@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534228057 932347865 /nfs/dbraw/zinc/34/78/65/932347865.db2.gz AKUBCBXSLJOUAY-GOSISDBHSA-N 2 2 413.512 4.280 20 0 HIADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534230361 932349897 /nfs/dbraw/zinc/34/98/97/932349897.db2.gz YLTPHXAMBBZJMJ-HXUWFJFHSA-N 2 2 419.569 4.204 20 0 HIADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534230361 932349906 /nfs/dbraw/zinc/34/99/06/932349906.db2.gz YLTPHXAMBBZJMJ-HXUWFJFHSA-N 2 2 419.569 4.204 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000534348610 932388920 /nfs/dbraw/zinc/38/89/20/932388920.db2.gz XUAZRXBGGUSHQO-UTKZUKDTSA-N 2 2 424.932 4.251 20 0 HIADLP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000534348610 932388925 /nfs/dbraw/zinc/38/89/25/932388925.db2.gz XUAZRXBGGUSHQO-UTKZUKDTSA-N 2 2 424.932 4.251 20 0 HIADLP CN(C(=O)CCc1ccccc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534358641 932391875 /nfs/dbraw/zinc/39/18/75/932391875.db2.gz GGCIRZOOZBIPTI-FCHUYYIVSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1ccccc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534358641 932391878 /nfs/dbraw/zinc/39/18/78/932391878.db2.gz GGCIRZOOZBIPTI-FCHUYYIVSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)C/C=C/c1ccccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359307 932393075 /nfs/dbraw/zinc/39/30/75/932393075.db2.gz IANXRGCDIYGYKB-JFNAMPKPSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)C/C=C/c1ccccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359307 932393079 /nfs/dbraw/zinc/39/30/79/932393079.db2.gz IANXRGCDIYGYKB-JFNAMPKPSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359934 932393859 /nfs/dbraw/zinc/39/38/59/932393859.db2.gz KIHWIBXXHSCRSL-GPJHCHHRSA-N 2 2 418.025 4.239 20 0 HIADLP CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359934 932393864 /nfs/dbraw/zinc/39/38/64/932393864.db2.gz KIHWIBXXHSCRSL-GPJHCHHRSA-N 2 2 418.025 4.239 20 0 HIADLP C[C@H](SCc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360280 932394229 /nfs/dbraw/zinc/39/42/29/932394229.db2.gz MPBNZCGHXZRPER-PMOQBDJRSA-N 2 2 417.663 4.104 20 0 HIADLP C[C@H](SCc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360280 932394237 /nfs/dbraw/zinc/39/42/37/932394237.db2.gz MPBNZCGHXZRPER-PMOQBDJRSA-N 2 2 417.663 4.104 20 0 HIADLP CN(C(=O)c1csc2c1CCCC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361020 932395080 /nfs/dbraw/zinc/39/50/80/932395080.db2.gz AZWZYSPTYLMYMB-SFTDATJTSA-N 2 2 403.636 4.036 20 0 HIADLP CN(C(=O)c1csc2c1CCCC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361020 932395087 /nfs/dbraw/zinc/39/50/87/932395087.db2.gz AZWZYSPTYLMYMB-SFTDATJTSA-N 2 2 403.636 4.036 20 0 HIADLP CN(C(=O)NCC(C)(C)c1cccs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375428 932403673 /nfs/dbraw/zinc/40/36/73/932403673.db2.gz YWLGSFHYWROUES-UXHICEINSA-N 2 2 420.667 4.004 20 0 HIADLP CN(C(=O)NCC(C)(C)c1cccs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375428 932403677 /nfs/dbraw/zinc/40/36/77/932403677.db2.gz YWLGSFHYWROUES-UXHICEINSA-N 2 2 420.667 4.004 20 0 HIADLP Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534386001 932412225 /nfs/dbraw/zinc/41/22/25/932412225.db2.gz WQLZAAHFUUFBFF-WWPVKYPJSA-N 2 2 400.611 4.035 20 0 HIADLP Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534386001 932412230 /nfs/dbraw/zinc/41/22/30/932412230.db2.gz WQLZAAHFUUFBFF-WWPVKYPJSA-N 2 2 400.611 4.035 20 0 HIADLP CC(C)c1cc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)nc(C(C)C)[nH+]1 ZINC000534880371 932820908 /nfs/dbraw/zinc/82/09/08/932820908.db2.gz GRVKGALDVNCSJI-FQEVSTJZSA-N 2 2 409.578 4.033 20 0 HIADLP CC(C)c1cc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)nc(C(C)C)[nH+]1 ZINC000534880371 932820911 /nfs/dbraw/zinc/82/09/11/932820911.db2.gz GRVKGALDVNCSJI-FQEVSTJZSA-N 2 2 409.578 4.033 20 0 HIADLP CN(C(=O)Nc1cc(Cl)ccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534935177 932845312 /nfs/dbraw/zinc/84/53/12/932845312.db2.gz ZDAKNOIPCPGTHO-PMACEKPBSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cc(Cl)ccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534935177 932845314 /nfs/dbraw/zinc/84/53/14/932845314.db2.gz ZDAKNOIPCPGTHO-PMACEKPBSA-N 2 2 410.965 4.280 20 0 HIADLP Cc1cn2cc(NC(=O)NC[C@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)c(F)c3)ccc2[nH+]1 ZINC000534967040 932865842 /nfs/dbraw/zinc/86/58/42/932865842.db2.gz RGULTPZUSPMPGO-QRWLVFNGSA-N 2 2 415.900 4.250 20 0 HIADLP Cc1cn2cc(NC(=O)NC[C@H]3CC[N@H+](C)[C@H]3c3ccc(Cl)c(F)c3)ccc2[nH+]1 ZINC000534967040 932865846 /nfs/dbraw/zinc/86/58/46/932865846.db2.gz RGULTPZUSPMPGO-QRWLVFNGSA-N 2 2 415.900 4.250 20 0 HIADLP CN(C(=O)CCCc1c[nH]c2ccccc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093746 932907139 /nfs/dbraw/zinc/90/71/39/932907139.db2.gz DNXRGQBIUTYSBK-LOSJGSFVSA-N 2 2 424.633 4.286 20 0 HIADLP CN(C(=O)CCCc1c[nH]c2ccccc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093746 932907148 /nfs/dbraw/zinc/90/71/48/932907148.db2.gz DNXRGQBIUTYSBK-LOSJGSFVSA-N 2 2 424.633 4.286 20 0 HIADLP CN(C(=O)CCCc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093747 932908019 /nfs/dbraw/zinc/90/80/19/932908019.db2.gz DNXRGQBIUTYSBK-RPBOFIJWSA-N 2 2 424.633 4.286 20 0 HIADLP CN(C(=O)CCCc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093747 932908023 /nfs/dbraw/zinc/90/80/23/932908023.db2.gz DNXRGQBIUTYSBK-RPBOFIJWSA-N 2 2 424.633 4.286 20 0 HIADLP CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095908 932911488 /nfs/dbraw/zinc/91/14/88/932911488.db2.gz LKXDEXQTOQZNFN-VXKWHMMOSA-N 2 2 416.997 4.231 20 0 HIADLP CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095908 932911503 /nfs/dbraw/zinc/91/15/03/932911503.db2.gz LKXDEXQTOQZNFN-VXKWHMMOSA-N 2 2 416.997 4.231 20 0 HIADLP CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096564 932912454 /nfs/dbraw/zinc/91/24/54/932912454.db2.gz SLAVCJSMMHWYCP-PMACEKPBSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096564 932912463 /nfs/dbraw/zinc/91/24/63/932912463.db2.gz SLAVCJSMMHWYCP-PMACEKPBSA-N 2 2 412.405 4.403 20 0 HIADLP Cc1cccc2c(CCC(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535097655 932914428 /nfs/dbraw/zinc/91/44/28/932914428.db2.gz XXAHMQZCEDVKEB-DNQXCXABSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1cccc2c(CCC(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535097655 932914439 /nfs/dbraw/zinc/91/44/39/932914439.db2.gz XXAHMQZCEDVKEB-DNQXCXABSA-N 2 2 424.633 4.205 20 0 HIADLP CN(C(=O)N[C@H](c1cccs1)C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535110468 932928359 /nfs/dbraw/zinc/92/83/59/932928359.db2.gz HZHININIEAJEKU-URVUXULASA-N 2 2 418.651 4.178 20 0 HIADLP CN(C(=O)N[C@H](c1cccs1)C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535110468 932928363 /nfs/dbraw/zinc/92/83/63/932928363.db2.gz HZHININIEAJEKU-URVUXULASA-N 2 2 418.651 4.178 20 0 HIADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)c1 ZINC000535199509 933010622 /nfs/dbraw/zinc/01/06/22/933010622.db2.gz DMWCUWVKIDUDHH-UHFFFAOYSA-N 2 2 404.345 4.316 20 0 HIADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)c1 ZINC000535199509 933010627 /nfs/dbraw/zinc/01/06/27/933010627.db2.gz DMWCUWVKIDUDHH-UHFFFAOYSA-N 2 2 404.345 4.316 20 0 HIADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)CCC2 ZINC000535690069 933345518 /nfs/dbraw/zinc/34/55/18/933345518.db2.gz POMKPVCNTJQVNT-DEOSSOPVSA-N 2 2 412.622 4.045 20 0 HIADLP Cc1[nH]c2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849796 933431711 /nfs/dbraw/zinc/43/17/11/933431711.db2.gz RIGZSFUWKHHTLD-RPWUZVMVSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1[nH]c2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849796 933431720 /nfs/dbraw/zinc/43/17/20/933431720.db2.gz RIGZSFUWKHHTLD-RPWUZVMVSA-N 2 2 410.606 4.194 20 0 HIADLP CSCc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000535850751 933433548 /nfs/dbraw/zinc/43/35/48/933433548.db2.gz MLSKRNKDBDFVBX-FGZHOGPDSA-N 2 2 421.626 4.098 20 0 HIADLP CSCc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000535850751 933433561 /nfs/dbraw/zinc/43/35/61/933433561.db2.gz MLSKRNKDBDFVBX-FGZHOGPDSA-N 2 2 421.626 4.098 20 0 HIADLP CSCc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000535850752 933433795 /nfs/dbraw/zinc/43/37/95/933433795.db2.gz MLSKRNKDBDFVBX-VXKWHMMOSA-N 2 2 421.626 4.098 20 0 HIADLP CSCc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000535850752 933433800 /nfs/dbraw/zinc/43/38/00/933433800.db2.gz MLSKRNKDBDFVBX-VXKWHMMOSA-N 2 2 421.626 4.098 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851653 933435886 /nfs/dbraw/zinc/43/58/86/933435886.db2.gz KHEAOSOAPVRLPF-FCHUYYIVSA-N 2 2 406.014 4.068 20 0 HIADLP CN(C(=O)CCc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851653 933435890 /nfs/dbraw/zinc/43/58/90/933435890.db2.gz KHEAOSOAPVRLPF-FCHUYYIVSA-N 2 2 406.014 4.068 20 0 HIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000536130141 933678499 /nfs/dbraw/zinc/67/84/99/933678499.db2.gz GQYDSHYTCXLFHO-UHFFFAOYSA-N 3 2 415.025 4.222 20 0 HIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000536130141 933678502 /nfs/dbraw/zinc/67/85/02/933678502.db2.gz GQYDSHYTCXLFHO-UHFFFAOYSA-N 3 2 415.025 4.222 20 0 HIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000537628942 938339609 /nfs/dbraw/zinc/33/96/09/938339609.db2.gz MVDJYDGYEFIHOO-GCJKJVERSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@@H]1C[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000537628942 938339613 /nfs/dbraw/zinc/33/96/13/938339613.db2.gz MVDJYDGYEFIHOO-GCJKJVERSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000537628942 938339617 /nfs/dbraw/zinc/33/96/17/938339617.db2.gz MVDJYDGYEFIHOO-GCJKJVERSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000537628942 938339621 /nfs/dbraw/zinc/33/96/21/938339621.db2.gz MVDJYDGYEFIHOO-GCJKJVERSA-N 2 2 418.541 4.290 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000537670234 938350505 /nfs/dbraw/zinc/35/05/05/938350505.db2.gz NSHYMYRKICGFIE-OFNKIYASSA-N 2 2 409.578 4.273 20 0 HIADLP C[C@H]1C[C@H](CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537940332 938425590 /nfs/dbraw/zinc/42/55/90/938425590.db2.gz FMLUBHJBJKFMRS-MXRVMPPXSA-N 3 2 406.618 4.182 20 0 HIADLP C[C@H]1C[C@H](CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000537940332 938425599 /nfs/dbraw/zinc/42/55/99/938425599.db2.gz FMLUBHJBJKFMRS-MXRVMPPXSA-N 3 2 406.618 4.182 20 0 HIADLP C[C@H]1C[C@H](CC[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000537940332 938425605 /nfs/dbraw/zinc/42/56/05/938425605.db2.gz FMLUBHJBJKFMRS-MXRVMPPXSA-N 3 2 406.618 4.182 20 0 HIADLP C[C@H]1C[C@H](CC[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000537940332 938425610 /nfs/dbraw/zinc/42/56/10/938425610.db2.gz FMLUBHJBJKFMRS-MXRVMPPXSA-N 3 2 406.618 4.182 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000538000634 938457596 /nfs/dbraw/zinc/45/75/96/938457596.db2.gz OZJXAPJQHTYXPU-LJQANCHMSA-N 2 2 407.537 4.004 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538325878 938593611 /nfs/dbraw/zinc/59/36/11/938593611.db2.gz HTOVPDAEBMYVRL-GOTSBHOMSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538325878 938593614 /nfs/dbraw/zinc/59/36/14/938593614.db2.gz HTOVPDAEBMYVRL-GOTSBHOMSA-N 2 2 400.611 4.358 20 0 HIADLP CN(C(=O)Nc1cc(F)cc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538353291 938601282 /nfs/dbraw/zinc/60/12/82/938601282.db2.gz AEYDEILQGRFWDA-UXHICEINSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cc(F)cc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538353291 938601284 /nfs/dbraw/zinc/60/12/84/938601284.db2.gz AEYDEILQGRFWDA-UXHICEINSA-N 2 2 410.965 4.280 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000538354761 938602494 /nfs/dbraw/zinc/60/24/94/938602494.db2.gz WUFGPQCQHXYWRO-FGZHOGPDSA-N 2 2 404.574 4.189 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000538354761 938602495 /nfs/dbraw/zinc/60/24/95/938602495.db2.gz WUFGPQCQHXYWRO-FGZHOGPDSA-N 2 2 404.574 4.189 20 0 HIADLP COc1cc(OC)c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1Cl ZINC000538558231 938648796 /nfs/dbraw/zinc/64/87/96/938648796.db2.gz SVMGLGAAUAAVPY-GDBMZVCRSA-N 2 2 404.942 4.066 20 0 HIADLP Cc1c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cnn1-c1ccc(F)cc1 ZINC000538588002 938656108 /nfs/dbraw/zinc/65/61/08/938656108.db2.gz WTLNXCDCFRPPHI-KRWDZBQOSA-N 2 2 422.552 4.418 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000538591050 938657172 /nfs/dbraw/zinc/65/71/72/938657172.db2.gz WSVMVFLMZMZRIT-GOSISDBHSA-N 2 2 424.593 4.315 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)NCc3cccc(-n4cc[nH+]c4)c3)c2)CC1 ZINC000538772830 938706453 /nfs/dbraw/zinc/70/64/53/938706453.db2.gz NOEAUWIHCKAAEH-UHFFFAOYSA-N 2 2 417.557 4.468 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538795615 938714027 /nfs/dbraw/zinc/71/40/27/938714027.db2.gz LSQYBTBXCJUQKA-YADARESESA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538795615 938714029 /nfs/dbraw/zinc/71/40/29/938714029.db2.gz LSQYBTBXCJUQKA-YADARESESA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000538795615 938714032 /nfs/dbraw/zinc/71/40/32/938714032.db2.gz LSQYBTBXCJUQKA-YADARESESA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000538795615 938714035 /nfs/dbraw/zinc/71/40/35/938714035.db2.gz LSQYBTBXCJUQKA-YADARESESA-N 2 2 407.558 4.118 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000539040352 938777886 /nfs/dbraw/zinc/77/78/86/938777886.db2.gz PBCIKXAQOUHUHL-YWZLYKJASA-N 2 2 406.343 4.026 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000539040352 938777891 /nfs/dbraw/zinc/77/78/91/938777891.db2.gz PBCIKXAQOUHUHL-YWZLYKJASA-N 2 2 406.343 4.026 20 0 HIADLP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539060109 938788046 /nfs/dbraw/zinc/78/80/46/938788046.db2.gz NCHJXMOTEWGHMC-IRXDYDNUSA-N 2 2 403.448 4.393 20 0 HIADLP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)c1ccccc1O2 ZINC000539368469 938849761 /nfs/dbraw/zinc/84/97/61/938849761.db2.gz ADCWIOYMZHGAFN-DEOSSOPVSA-N 3 2 405.586 4.013 20 0 HIADLP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)c1ccccc1O2 ZINC000539368469 938849763 /nfs/dbraw/zinc/84/97/63/938849763.db2.gz ADCWIOYMZHGAFN-DEOSSOPVSA-N 3 2 405.586 4.013 20 0 HIADLP CN(C(=O)Nc1cc(F)ccc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539460135 938864049 /nfs/dbraw/zinc/86/40/49/938864049.db2.gz JBLYCHGHWSWJHV-WOJBJXKFSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cc(F)ccc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539460135 938864050 /nfs/dbraw/zinc/86/40/50/938864050.db2.gz JBLYCHGHWSWJHV-WOJBJXKFSA-N 2 2 410.965 4.280 20 0 HIADLP COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540047600 939049137 /nfs/dbraw/zinc/04/91/37/939049137.db2.gz WUTVQWQBVJCBSX-OAQYLSRUSA-N 2 2 401.938 4.188 20 0 HIADLP COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540047600 939049141 /nfs/dbraw/zinc/04/91/41/939049141.db2.gz WUTVQWQBVJCBSX-OAQYLSRUSA-N 2 2 401.938 4.188 20 0 HIADLP CCOc1ccccc1-c1cccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000540055784 939052824 /nfs/dbraw/zinc/05/28/24/939052824.db2.gz JRODXLCFIMEYCB-UHFFFAOYSA-N 2 2 421.585 4.041 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)c(C)c1 ZINC000540146202 939090873 /nfs/dbraw/zinc/09/08/73/939090873.db2.gz AZSHOASQYCHMLH-PXDATVDWSA-N 2 2 404.558 4.429 20 0 HIADLP COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000540150623 939092809 /nfs/dbraw/zinc/09/28/09/939092809.db2.gz IARZIKSVYTYOCR-DFBJGRDBSA-N 2 2 405.542 4.471 20 0 HIADLP CC(C)[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[N@@H+]1CCc2ccccc2C1 ZINC000540188258 939113541 /nfs/dbraw/zinc/11/35/41/939113541.db2.gz IAWKVAGYLHXDBE-SXFAGYSOSA-N 2 2 417.597 4.492 20 0 HIADLP CC(C)[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[N@H+]1CCc2ccccc2C1 ZINC000540188258 939113552 /nfs/dbraw/zinc/11/35/52/939113552.db2.gz IAWKVAGYLHXDBE-SXFAGYSOSA-N 2 2 417.597 4.492 20 0 HIADLP CCCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540536144 939294594 /nfs/dbraw/zinc/29/45/94/939294594.db2.gz ALAHENHROLGMHZ-GOTSBHOMSA-N 2 2 416.610 4.276 20 0 HIADLP CCCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540536144 939294605 /nfs/dbraw/zinc/29/46/05/939294605.db2.gz ALAHENHROLGMHZ-GOTSBHOMSA-N 2 2 416.610 4.276 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000540597120 939315007 /nfs/dbraw/zinc/31/50/07/939315007.db2.gz JGMXURBGSWSLNY-MRXNPFEDSA-N 2 2 411.933 4.325 20 0 HIADLP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)oc21 ZINC000540597355 939315360 /nfs/dbraw/zinc/31/53/60/939315360.db2.gz QKLYXMBJTNZPQI-GOSISDBHSA-N 2 2 410.514 4.003 20 0 HIADLP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540754652 939360336 /nfs/dbraw/zinc/36/03/36/939360336.db2.gz WGXMZTVVTAAMFM-LVXARBLLSA-N 2 2 424.548 4.451 20 0 HIADLP CSC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540987616 939425743 /nfs/dbraw/zinc/42/57/43/939425743.db2.gz UXLAIHLONLPWRF-LJQANCHMSA-N 2 2 424.536 4.046 20 0 HIADLP CC[N@H+](Cc1ccccc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000541282805 939489160 /nfs/dbraw/zinc/48/91/60/939489160.db2.gz NDYLDXGJNAKSHS-UHFFFAOYSA-N 2 2 410.562 4.186 20 0 HIADLP CC[N@@H+](Cc1ccccc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000541282805 939489161 /nfs/dbraw/zinc/48/91/61/939489161.db2.gz NDYLDXGJNAKSHS-UHFFFAOYSA-N 2 2 410.562 4.186 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1cccc(F)c1 ZINC000541406517 939507245 /nfs/dbraw/zinc/50/72/45/939507245.db2.gz CKUGVKRWYPJPMD-UGKGYDQZSA-N 2 2 412.553 4.051 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000541744102 939618987 /nfs/dbraw/zinc/61/89/87/939618987.db2.gz BXEBEJKYGYGINM-BJKOFHAPSA-N 2 2 423.582 4.115 20 0 HIADLP CC(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000541986800 939671131 /nfs/dbraw/zinc/67/11/31/939671131.db2.gz RUOBXCGFMLMXGE-HXUWFJFHSA-N 2 2 406.636 4.345 20 0 HIADLP CC(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000541986800 939671134 /nfs/dbraw/zinc/67/11/34/939671134.db2.gz RUOBXCGFMLMXGE-HXUWFJFHSA-N 2 2 406.636 4.345 20 0 HIADLP Brc1cccc(N2CC[C@@H](C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000542320076 939799992 /nfs/dbraw/zinc/79/99/92/939799992.db2.gz SGMNGIRZEDHKIL-HNNXBMFYSA-N 2 2 417.376 4.312 20 0 HIADLP Cc1ccccc1[C@H](C[NH+]1CCOCC1)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000542500291 939833137 /nfs/dbraw/zinc/83/31/37/939833137.db2.gz UFQHKVMBFXHLEP-VRUMLPLGSA-N 2 2 423.601 4.090 20 0 HIADLP Cc1ccccc1[C@H](C[NH+]1CCOCC1)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000542500291 939833138 /nfs/dbraw/zinc/83/31/38/939833138.db2.gz UFQHKVMBFXHLEP-VRUMLPLGSA-N 2 2 423.601 4.090 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530391 939838204 /nfs/dbraw/zinc/83/82/04/939838204.db2.gz FECYKIVDEBDYGD-NVXWUHKLSA-N 2 2 416.566 4.130 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530391 939838206 /nfs/dbraw/zinc/83/82/06/939838206.db2.gz FECYKIVDEBDYGD-NVXWUHKLSA-N 2 2 416.566 4.130 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c2)cc[nH+]1 ZINC000542569581 939844865 /nfs/dbraw/zinc/84/48/65/939844865.db2.gz PSXIOKUVZDCNDB-FQEVSTJZSA-N 2 2 421.570 4.026 20 0 HIADLP C[C@@H](OC[C@@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000543060082 939913917 /nfs/dbraw/zinc/91/39/17/939913917.db2.gz UTADVHHPBQHYJG-GCJKJVERSA-N 2 2 405.970 4.167 20 0 HIADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000543060011 939913991 /nfs/dbraw/zinc/91/39/91/939913991.db2.gz QTROIIGXFJGNPK-DEOSSOPVSA-N 2 2 422.598 4.343 20 0 HIADLP C[C@H](OC[C@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000543060083 939914730 /nfs/dbraw/zinc/91/47/30/939914730.db2.gz UTADVHHPBQHYJG-PGRDOPGGSA-N 2 2 405.970 4.167 20 0 HIADLP Cc1ccc2[nH]cc(CCC(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000543109602 939949272 /nfs/dbraw/zinc/94/92/72/939949272.db2.gz XCNDAGRJGJNISJ-DQEYMECFSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1ccc2[nH]cc(CCC(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000543109602 939949280 /nfs/dbraw/zinc/94/92/80/939949280.db2.gz XCNDAGRJGJNISJ-DQEYMECFSA-N 2 2 424.633 4.205 20 0 HIADLP CN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543332398 940033685 /nfs/dbraw/zinc/03/36/85/940033685.db2.gz HJGGJBDOZNISLX-PKTZIBPZSA-N 2 2 420.601 4.226 20 0 HIADLP CN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543332398 940033690 /nfs/dbraw/zinc/03/36/90/940033690.db2.gz HJGGJBDOZNISLX-PKTZIBPZSA-N 2 2 420.601 4.226 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1SC1CCCC1 ZINC000543585403 940119733 /nfs/dbraw/zinc/11/97/33/940119733.db2.gz GFEFWKMEOIICFY-UHFFFAOYSA-N 2 2 424.054 4.473 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1SC1CCCC1 ZINC000543585403 940119737 /nfs/dbraw/zinc/11/97/37/940119737.db2.gz GFEFWKMEOIICFY-UHFFFAOYSA-N 2 2 424.054 4.473 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)c2)cc[nH+]1 ZINC000543588036 940121461 /nfs/dbraw/zinc/12/14/61/940121461.db2.gz ONMWVKKREGKQQN-KNQAVFIVSA-N 2 2 421.589 4.124 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)c2)cc[nH+]1 ZINC000543588036 940121470 /nfs/dbraw/zinc/12/14/70/940121470.db2.gz ONMWVKKREGKQQN-KNQAVFIVSA-N 2 2 421.589 4.124 20 0 HIADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000543761530 940178173 /nfs/dbraw/zinc/17/81/73/940178173.db2.gz YWLGILQJNJNHMH-SANMLTNESA-N 2 2 415.581 4.441 20 0 HIADLP C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000543866089 940216270 /nfs/dbraw/zinc/21/62/70/940216270.db2.gz FDPUAANUFAHCLP-HXUWFJFHSA-N 2 2 402.542 4.004 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952953 940267422 /nfs/dbraw/zinc/26/74/22/940267422.db2.gz OYSYDBJMEDBMJO-PDXHDDNESA-N 2 2 423.523 4.010 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952953 940267428 /nfs/dbraw/zinc/26/74/28/940267428.db2.gz OYSYDBJMEDBMJO-PDXHDDNESA-N 2 2 423.523 4.010 20 0 HIADLP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952953 940267435 /nfs/dbraw/zinc/26/74/35/940267435.db2.gz OYSYDBJMEDBMJO-PDXHDDNESA-N 2 2 423.523 4.010 20 0 HIADLP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543952953 940267443 /nfs/dbraw/zinc/26/74/43/940267443.db2.gz OYSYDBJMEDBMJO-PDXHDDNESA-N 2 2 423.523 4.010 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952954 940267534 /nfs/dbraw/zinc/26/75/34/940267534.db2.gz OYSYDBJMEDBMJO-UPKQVVFYSA-N 2 2 423.523 4.010 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952954 940267540 /nfs/dbraw/zinc/26/75/40/940267540.db2.gz OYSYDBJMEDBMJO-UPKQVVFYSA-N 2 2 423.523 4.010 20 0 HIADLP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952954 940267544 /nfs/dbraw/zinc/26/75/44/940267544.db2.gz OYSYDBJMEDBMJO-UPKQVVFYSA-N 2 2 423.523 4.010 20 0 HIADLP CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952954 940267550 /nfs/dbraw/zinc/26/75/50/940267550.db2.gz OYSYDBJMEDBMJO-UPKQVVFYSA-N 2 2 423.523 4.010 20 0 HIADLP C[C@H]1CCN(C(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc2S1 ZINC000543991135 940286785 /nfs/dbraw/zinc/28/67/85/940286785.db2.gz KQFKMCUAQJEBGH-IBGZPJMESA-N 2 2 412.603 4.293 20 0 HIADLP Brc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000544007426 940296314 /nfs/dbraw/zinc/29/63/14/940296314.db2.gz PNVRFVBWBUFMOI-JOCHJYFZSA-N 2 2 415.375 4.449 20 0 HIADLP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000544350082 940397660 /nfs/dbraw/zinc/39/76/60/940397660.db2.gz GDCRLCWBWROFJY-QHCPKHFHSA-N 2 2 411.500 4.123 20 0 HIADLP CN(C(=O)c1scnc1C1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545344286 940563288 /nfs/dbraw/zinc/56/32/88/940563288.db2.gz ZMRIGUVNWMJQNJ-UXHICEINSA-N 2 2 418.651 4.210 20 0 HIADLP CN(C(=O)c1scnc1C1CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545344286 940563290 /nfs/dbraw/zinc/56/32/90/940563290.db2.gz ZMRIGUVNWMJQNJ-UXHICEINSA-N 2 2 418.651 4.210 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000546619511 940861487 /nfs/dbraw/zinc/86/14/87/940861487.db2.gz ASBRMTITJYTAEN-UHFFFAOYSA-N 2 2 401.378 4.278 20 0 HIADLP Cc1cc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000546746813 940875574 /nfs/dbraw/zinc/87/55/74/940875574.db2.gz LTPKXQFXQHZYPG-FGZHOGPDSA-N 2 2 421.029 4.127 20 0 HIADLP Cc1cc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000546746813 940875576 /nfs/dbraw/zinc/87/55/76/940875576.db2.gz LTPKXQFXQHZYPG-FGZHOGPDSA-N 2 2 421.029 4.127 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000548931548 941130351 /nfs/dbraw/zinc/13/03/51/941130351.db2.gz PMVVLEKECKDFBA-NOZRDPDXSA-N 2 2 405.586 4.144 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000548931548 941130352 /nfs/dbraw/zinc/13/03/52/941130352.db2.gz PMVVLEKECKDFBA-NOZRDPDXSA-N 2 2 405.586 4.144 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000549167880 941167900 /nfs/dbraw/zinc/16/79/00/941167900.db2.gz XQAHGPGLGAYZHI-BJKOFHAPSA-N 2 2 405.586 4.071 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000549167880 941167901 /nfs/dbraw/zinc/16/79/01/941167901.db2.gz XQAHGPGLGAYZHI-BJKOFHAPSA-N 2 2 405.586 4.071 20 0 HIADLP CC[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000549750133 941206337 /nfs/dbraw/zinc/20/63/37/941206337.db2.gz WXAGSNNOTCSPMQ-YOSAUDMPSA-N 2 2 409.574 4.145 20 0 HIADLP CC[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000549750133 941206338 /nfs/dbraw/zinc/20/63/38/941206338.db2.gz WXAGSNNOTCSPMQ-YOSAUDMPSA-N 2 2 409.574 4.145 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000550162598 941291584 /nfs/dbraw/zinc/29/15/84/941291584.db2.gz FXCPJVLPSBFQPP-OAQYLSRUSA-N 2 2 416.569 4.479 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000550162598 941291589 /nfs/dbraw/zinc/29/15/89/941291589.db2.gz FXCPJVLPSBFQPP-OAQYLSRUSA-N 2 2 416.569 4.479 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H]1c1ccccc1 ZINC000550797144 941368187 /nfs/dbraw/zinc/36/81/87/941368187.db2.gz MVQSIJQEWQUNLW-PMACEKPBSA-N 2 2 401.348 4.309 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H]1c1ccccc1 ZINC000550797144 941368192 /nfs/dbraw/zinc/36/81/92/941368192.db2.gz MVQSIJQEWQUNLW-PMACEKPBSA-N 2 2 401.348 4.309 20 0 HIADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552046145 941573287 /nfs/dbraw/zinc/57/32/87/941573287.db2.gz ZHNJNYLIYHZFBS-HSALFYBXSA-N 2 2 406.496 4.226 20 0 HIADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552046145 941573289 /nfs/dbraw/zinc/57/32/89/941573289.db2.gz ZHNJNYLIYHZFBS-HSALFYBXSA-N 2 2 406.496 4.226 20 0 HIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(SC2CCCC2)cc1 ZINC000552333845 941634951 /nfs/dbraw/zinc/63/49/51/941634951.db2.gz QIZMXYGHBJFSJZ-XSLAUPDRSA-N 2 2 415.647 4.456 20 0 HIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(SC2CCCC2)cc1 ZINC000552333845 941634956 /nfs/dbraw/zinc/63/49/56/941634956.db2.gz QIZMXYGHBJFSJZ-XSLAUPDRSA-N 2 2 415.647 4.456 20 0 HIADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)Nc1nccs1 ZINC000552930016 941804866 /nfs/dbraw/zinc/80/48/66/941804866.db2.gz JMRUUZKOTSIBMG-IHPCNDPISA-N 2 2 400.592 4.139 20 0 HIADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)Nc1nccs1 ZINC000552930016 941804868 /nfs/dbraw/zinc/80/48/68/941804868.db2.gz JMRUUZKOTSIBMG-IHPCNDPISA-N 2 2 400.592 4.139 20 0 HIADLP Cc1cccc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c1C ZINC000553338084 941869290 /nfs/dbraw/zinc/86/92/90/941869290.db2.gz QICZTLJBGITALR-SFHVURJKSA-N 2 2 400.592 4.281 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000554961102 942335117 /nfs/dbraw/zinc/33/51/17/942335117.db2.gz SHLQOFJWVPDPFP-XBYSBRQOSA-N 2 2 423.626 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000554961102 942335120 /nfs/dbraw/zinc/33/51/20/942335120.db2.gz SHLQOFJWVPDPFP-XBYSBRQOSA-N 2 2 423.626 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000554961102 942335127 /nfs/dbraw/zinc/33/51/27/942335127.db2.gz SHLQOFJWVPDPFP-XBYSBRQOSA-N 2 2 423.626 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000554961102 942335131 /nfs/dbraw/zinc/33/51/31/942335131.db2.gz SHLQOFJWVPDPFP-XBYSBRQOSA-N 2 2 423.626 4.254 20 0 HIADLP CC(C)[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccccc1 ZINC000555369476 942499174 /nfs/dbraw/zinc/49/91/74/942499174.db2.gz NYBLNBLUUADMPP-NRFANRHFSA-N 2 2 400.592 4.300 20 0 HIADLP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000556127524 942808028 /nfs/dbraw/zinc/80/80/28/942808028.db2.gz NDWRKRHTTKQDQA-RPBOFIJWSA-N 2 2 416.569 4.004 20 0 HIADLP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000556127524 942808032 /nfs/dbraw/zinc/80/80/32/942808032.db2.gz NDWRKRHTTKQDQA-RPBOFIJWSA-N 2 2 416.569 4.004 20 0 HIADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cc2)n1 ZINC000556193458 942816965 /nfs/dbraw/zinc/81/69/65/942816965.db2.gz RGARRUGBRGHQKS-UHFFFAOYSA-N 2 2 411.431 4.426 20 0 HIADLP C[C@H](Cn1ccc2ccccc21)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000556936632 942972897 /nfs/dbraw/zinc/97/28/97/942972897.db2.gz AGCKWRFKWZIWAH-NIJXNBFTSA-N 2 2 424.633 4.073 20 0 HIADLP C[C@H](Cn1ccc2ccccc21)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556936632 942972902 /nfs/dbraw/zinc/97/29/02/942972902.db2.gz AGCKWRFKWZIWAH-NIJXNBFTSA-N 2 2 424.633 4.073 20 0 HIADLP CC(C)(C)c1cnc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000557038684 943001671 /nfs/dbraw/zinc/00/16/71/943001671.db2.gz WYFOQSLGDKEFAM-FQEVSTJZSA-N 2 2 413.631 4.459 20 0 HIADLP CC(C)(C)c1cnc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000557038684 943001676 /nfs/dbraw/zinc/00/16/76/943001676.db2.gz WYFOQSLGDKEFAM-FQEVSTJZSA-N 2 2 413.631 4.459 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nc2ccccc2n1C(F)F ZINC000557376307 943092103 /nfs/dbraw/zinc/09/21/03/943092103.db2.gz KLTRHWOXWBKRHU-MRXNPFEDSA-N 2 2 400.473 4.114 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N(Cc3ccccc3)C(C)C)C2)s1 ZINC000558397140 943547677 /nfs/dbraw/zinc/54/76/77/943547677.db2.gz MKAHRPXMYJUHSQ-QFIPXVFZSA-N 2 2 413.631 4.247 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N(Cc3ccccc3)C(C)C)C2)s1 ZINC000558397140 943547684 /nfs/dbraw/zinc/54/76/84/943547684.db2.gz MKAHRPXMYJUHSQ-QFIPXVFZSA-N 2 2 413.631 4.247 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N(Cc3ccccc3)C(C)C)C2)s1 ZINC000558397140 943547688 /nfs/dbraw/zinc/54/76/88/943547688.db2.gz MKAHRPXMYJUHSQ-QFIPXVFZSA-N 2 2 413.631 4.247 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N(Cc3ccccc3)C(C)C)C2)s1 ZINC000558397140 943547695 /nfs/dbraw/zinc/54/76/95/943547695.db2.gz MKAHRPXMYJUHSQ-QFIPXVFZSA-N 2 2 413.631 4.247 20 0 HIADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3conc3Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000559245202 943885054 /nfs/dbraw/zinc/88/50/54/943885054.db2.gz VDERHVMRGCBMOE-PMACEKPBSA-N 2 2 405.542 4.164 20 0 HIADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000560676648 944291640 /nfs/dbraw/zinc/29/16/40/944291640.db2.gz FGTDCFDVMGUYPP-UHFFFAOYSA-N 2 2 400.526 4.001 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561155222 944484890 /nfs/dbraw/zinc/48/48/90/944484890.db2.gz GUQODTSWVOJLDT-GBXCKJPGSA-N 2 2 416.569 4.480 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561155222 944484894 /nfs/dbraw/zinc/48/48/94/944484894.db2.gz GUQODTSWVOJLDT-GBXCKJPGSA-N 2 2 416.569 4.480 20 0 HIADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000561207094 944514650 /nfs/dbraw/zinc/51/46/50/944514650.db2.gz UMTFHLOZSANGLI-NRFANRHFSA-N 2 2 408.571 4.022 20 0 HIADLP Brc1cccc(-c2c[nH]c(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)n2)c1 ZINC000561334806 944555410 /nfs/dbraw/zinc/55/54/10/944555410.db2.gz UWYFKKQILXFIEK-UHFFFAOYSA-N 2 2 422.330 4.374 20 0 HIADLP CC(C)Oc1ccc([C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)N(C)C)cc1 ZINC000562057570 944915197 /nfs/dbraw/zinc/91/51/97/944915197.db2.gz XJTFKDXWTHGIKM-SANMLTNESA-N 2 2 409.618 4.373 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000562061435 944918227 /nfs/dbraw/zinc/91/82/27/944918227.db2.gz MRKKEMKGKAHEOM-SESVDKBCSA-N 2 2 409.599 4.189 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000562061435 944918234 /nfs/dbraw/zinc/91/82/34/944918234.db2.gz MRKKEMKGKAHEOM-SESVDKBCSA-N 2 2 409.599 4.189 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000562061435 944918241 /nfs/dbraw/zinc/91/82/41/944918241.db2.gz MRKKEMKGKAHEOM-SESVDKBCSA-N 2 2 409.599 4.189 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000562061435 944918244 /nfs/dbraw/zinc/91/82/44/944918244.db2.gz MRKKEMKGKAHEOM-SESVDKBCSA-N 2 2 409.599 4.189 20 0 HIADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000564074738 945372115 /nfs/dbraw/zinc/37/21/15/945372115.db2.gz PYUOVLSAEWQIAZ-OAHLLOKOSA-N 2 2 406.452 4.076 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(F)c2ccccc21 ZINC000564151423 945401550 /nfs/dbraw/zinc/40/15/50/945401550.db2.gz GLQSHAKWODKIFT-HNNXBMFYSA-N 2 2 412.534 4.321 20 0 HIADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000564733126 945742474 /nfs/dbraw/zinc/74/24/74/945742474.db2.gz LVGNPRMYOFYJAZ-HZPDHXFCSA-N 2 2 401.378 4.084 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000565982926 945961313 /nfs/dbraw/zinc/96/13/13/945961313.db2.gz UHEWEORDMZSWIW-QFIPXVFZSA-N 2 2 407.562 4.369 20 0 HIADLP C[NH+]1CCC(N(Cc2ccccc2Br)Cc2cccc3[nH+]ccn32)CC1 ZINC000566709505 946080871 /nfs/dbraw/zinc/08/08/71/946080871.db2.gz IXEQVCZRTZOROC-UHFFFAOYSA-N 2 2 413.363 4.193 20 0 HIADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566843711 946128194 /nfs/dbraw/zinc/12/81/94/946128194.db2.gz QOJGDEDIBPAOHV-YADHBBJMSA-N 2 2 415.940 4.250 20 0 HIADLP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566843711 946128217 /nfs/dbraw/zinc/12/82/17/946128217.db2.gz QOJGDEDIBPAOHV-YADHBBJMSA-N 2 2 415.940 4.250 20 0 HIADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000567130888 946247020 /nfs/dbraw/zinc/24/70/20/946247020.db2.gz AGWLYCZBFOXCHQ-RAFMOHDBSA-N 2 2 411.512 4.220 20 0 HIADLP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000567130888 946247030 /nfs/dbraw/zinc/24/70/30/946247030.db2.gz AGWLYCZBFOXCHQ-RAFMOHDBSA-N 2 2 411.512 4.220 20 0 HIADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000568067986 946456291 /nfs/dbraw/zinc/45/62/91/946456291.db2.gz NPCYTQFLANHCPD-IBGZPJMESA-N 2 2 424.511 4.062 20 0 HIADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000568067986 946456293 /nfs/dbraw/zinc/45/62/93/946456293.db2.gz NPCYTQFLANHCPD-IBGZPJMESA-N 2 2 424.511 4.062 20 0 HIADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000570456952 947253374 /nfs/dbraw/zinc/25/33/74/947253374.db2.gz SLRPWFYYAXDQGT-DEOSSOPVSA-N 2 2 419.569 4.355 20 0 HIADLP CC(C[NH+](C)C[C@H]1OCCc2ccccc21)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000572523725 947928064 /nfs/dbraw/zinc/92/80/64/947928064.db2.gz OCJZCTJGSGQNBF-CLJLJLNGSA-N 2 2 408.586 4.114 20 0 HIADLP CC(C[NH+](C)C[C@H]1OCCc2ccccc21)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000572523725 947928079 /nfs/dbraw/zinc/92/80/79/947928079.db2.gz OCJZCTJGSGQNBF-CLJLJLNGSA-N 2 2 408.586 4.114 20 0 HIADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000572554492 947944402 /nfs/dbraw/zinc/94/44/02/947944402.db2.gz YMKROAHLZCNUAN-MRXNPFEDSA-N 2 2 416.447 4.457 20 0 HIADLP Cc1ccc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(-c2cnn(C)c2)c1 ZINC000573261124 948130191 /nfs/dbraw/zinc/13/01/91/948130191.db2.gz GMHRNYMWJMOQBP-NRFANRHFSA-N 2 2 418.585 4.385 20 0 HIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C)c(C)[nH+]1)CC2 ZINC001164664481 719349178 /nfs/dbraw/zinc/34/91/78/719349178.db2.gz VKPICJGQSCMTMZ-UHFFFAOYSA-N 2 2 401.558 4.393 20 0 HIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C)c(C)[nH+]1)CC2 ZINC001164664481 719349181 /nfs/dbraw/zinc/34/91/81/719349181.db2.gz VKPICJGQSCMTMZ-UHFFFAOYSA-N 2 2 401.558 4.393 20 0 HIADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2 ZINC001164712390 720156375 /nfs/dbraw/zinc/15/63/75/720156375.db2.gz GDELSNUSHPGCQN-QFIPXVFZSA-N 2 2 408.590 4.282 20 0 HIADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2 ZINC001164712390 720156381 /nfs/dbraw/zinc/15/63/81/720156381.db2.gz GDELSNUSHPGCQN-QFIPXVFZSA-N 2 2 408.590 4.282 20 0 HIADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c2c(C)cccc12 ZINC001164838538 720512788 /nfs/dbraw/zinc/51/27/88/720512788.db2.gz ROBASVYZJPZOLY-QZNHQXDQSA-N 2 2 403.574 4.426 20 0 HIADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c2c(C)cccc12 ZINC001164838538 720512789 /nfs/dbraw/zinc/51/27/89/720512789.db2.gz ROBASVYZJPZOLY-QZNHQXDQSA-N 2 2 403.574 4.426 20 0 HIADLP CC(C)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c1 ZINC001164757450 720893372 /nfs/dbraw/zinc/89/33/72/720893372.db2.gz UTGUZOYVDNPHFY-RSXGOPAZSA-N 2 2 420.601 4.355 20 0 HIADLP CC(C)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)[nH+]c1 ZINC001164757450 720893374 /nfs/dbraw/zinc/89/33/74/720893374.db2.gz UTGUZOYVDNPHFY-RSXGOPAZSA-N 2 2 420.601 4.355 20 0 HIADLP Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164913478 721728734 /nfs/dbraw/zinc/72/87/34/721728734.db2.gz WEHXUVYQWHXWEZ-JOCHJYFZSA-N 2 2 415.532 4.215 20 0 HIADLP Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(C(C)(C)C)[nH+]1 ZINC001164913478 721728743 /nfs/dbraw/zinc/72/87/43/721728743.db2.gz WEHXUVYQWHXWEZ-JOCHJYFZSA-N 2 2 415.532 4.215 20 0 HIADLP COc1ccc2[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cc(C)c2c1 ZINC001164952078 722017892 /nfs/dbraw/zinc/01/78/92/722017892.db2.gz GWNDNCPKHGGKMF-UHFFFAOYSA-N 2 2 402.542 4.439 20 0 HIADLP COc1ccc2[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cc(C)c2c1 ZINC001164952078 722017895 /nfs/dbraw/zinc/01/78/95/722017895.db2.gz GWNDNCPKHGGKMF-UHFFFAOYSA-N 2 2 402.542 4.439 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000045778416 848726139 /nfs/dbraw/zinc/72/61/39/848726139.db2.gz YXYXECDRMOHWPJ-HXUWFJFHSA-N 2 2 402.542 4.093 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000045778416 848726148 /nfs/dbraw/zinc/72/61/48/848726148.db2.gz YXYXECDRMOHWPJ-HXUWFJFHSA-N 2 2 402.542 4.093 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045780202 848726270 /nfs/dbraw/zinc/72/62/70/848726270.db2.gz SHAOSJFBIZQFBY-FQEVSTJZSA-N 2 2 402.542 4.236 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045780202 848726280 /nfs/dbraw/zinc/72/62/80/848726280.db2.gz SHAOSJFBIZQFBY-FQEVSTJZSA-N 2 2 402.542 4.236 20 0 HIADLP c1cn(-c2ccc(C[NH2+]Cc3ccc(OCCOc4ccccc4)nc3)cc2)c[nH+]1 ZINC000048749761 849264714 /nfs/dbraw/zinc/26/47/14/849264714.db2.gz PENYMNLIZIJJLA-UHFFFAOYSA-N 2 2 400.482 4.015 20 0 HIADLP COc1cc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cs2)ccc1O ZINC000436931975 862110514 /nfs/dbraw/zinc/11/05/14/862110514.db2.gz NNTQYNYZWATASI-DOTOQJQBSA-N 2 2 401.576 4.267 20 0 HIADLP COc1cc(-c2nc(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cs2)ccc1O ZINC000436931975 862110524 /nfs/dbraw/zinc/11/05/24/862110524.db2.gz NNTQYNYZWATASI-DOTOQJQBSA-N 2 2 401.576 4.267 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)cn2c1 ZINC000056997884 850531513 /nfs/dbraw/zinc/53/15/13/850531513.db2.gz BYDKJBZHEFOCPT-UHFFFAOYSA-N 2 2 408.571 4.153 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000060534985 851137526 /nfs/dbraw/zinc/13/75/26/851137526.db2.gz RLWZJAHDPYAAAX-UHFFFAOYSA-N 2 2 410.562 4.035 20 0 HIADLP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000060545695 851140945 /nfs/dbraw/zinc/14/09/45/851140945.db2.gz AUKHBXOPGDWXJI-IBGZPJMESA-N 2 2 424.992 4.132 20 0 HIADLP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000060545695 851140951 /nfs/dbraw/zinc/14/09/51/851140951.db2.gz AUKHBXOPGDWXJI-IBGZPJMESA-N 2 2 424.992 4.132 20 0 HIADLP Cc1ccc([C@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[NH+]2CCCC2)cc1 ZINC000064237397 851855216 /nfs/dbraw/zinc/85/52/16/851855216.db2.gz UUQFSMRDVWITRR-QHCPKHFHSA-N 2 2 421.589 4.017 20 0 HIADLP CN(c1ccccc1)c1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cn1 ZINC000437149739 862343389 /nfs/dbraw/zinc/34/33/89/862343389.db2.gz UNIUBNRUWNMNKX-UHFFFAOYSA-N 2 2 415.585 4.383 20 0 HIADLP CN(c1ccccc1)c1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cn1 ZINC000437149739 862343410 /nfs/dbraw/zinc/34/34/10/862343410.db2.gz UNIUBNRUWNMNKX-UHFFFAOYSA-N 2 2 415.585 4.383 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000071961427 852447301 /nfs/dbraw/zinc/44/73/01/852447301.db2.gz CPAJHNHKZFCNRH-BGYRXZFFSA-N 2 2 402.542 4.280 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000071961427 852447309 /nfs/dbraw/zinc/44/73/09/852447309.db2.gz CPAJHNHKZFCNRH-BGYRXZFFSA-N 2 2 402.542 4.280 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000110732682 853146247 /nfs/dbraw/zinc/14/62/47/853146247.db2.gz AXHHBXZKPLADSM-CEXWTWQISA-N 2 2 422.013 4.105 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000110732682 853146251 /nfs/dbraw/zinc/14/62/51/853146251.db2.gz AXHHBXZKPLADSM-CEXWTWQISA-N 2 2 422.013 4.105 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(Br)s2)CC1 ZINC000237235744 853987641 /nfs/dbraw/zinc/98/76/41/853987641.db2.gz CXGKOEYPZAYXPG-UHFFFAOYSA-N 2 2 414.800 4.206 20 0 HIADLP Cc1ccc(OC(F)F)c(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000237235652 853987682 /nfs/dbraw/zinc/98/76/82/853987682.db2.gz SXGPJHRPZSGPHM-UHFFFAOYSA-N 2 2 409.908 4.291 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000237572390 854056295 /nfs/dbraw/zinc/05/62/95/854056295.db2.gz QLSSQDVANJPMQH-FGZHOGPDSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000237572390 854056299 /nfs/dbraw/zinc/05/62/99/854056299.db2.gz QLSSQDVANJPMQH-FGZHOGPDSA-N 2 2 407.602 4.050 20 0 HIADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000237916453 854119080 /nfs/dbraw/zinc/11/90/80/854119080.db2.gz DLAIEBZCGCWREU-NRFANRHFSA-N 2 2 421.532 4.170 20 0 HIADLP COc1ccc([C@H](CNc2cc(C)[nH+]c3ccccc23)[NH+]2CCOCC2)cc1OC ZINC000301056380 854282746 /nfs/dbraw/zinc/28/27/46/854282746.db2.gz AMDLBCCZIOWHSR-QFIPXVFZSA-N 2 2 407.514 4.046 20 0 HIADLP Brc1cccc2c(N3CCC(OCC[NH+]4CCCC4)CC3)cc[nH+]c12 ZINC000301411252 854386687 /nfs/dbraw/zinc/38/66/87/854386687.db2.gz AYFZFNWSNDTCSX-UHFFFAOYSA-N 2 2 404.352 4.079 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000303383000 854902048 /nfs/dbraw/zinc/90/20/48/854902048.db2.gz OHVTTZUADCTWME-IBGZPJMESA-N 2 2 404.514 4.126 20 0 HIADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000303424714 854925745 /nfs/dbraw/zinc/92/57/45/854925745.db2.gz AJWSNUVVJHUVQT-HSZRJFAPSA-N 2 2 408.933 4.079 20 0 HIADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000311184242 855369015 /nfs/dbraw/zinc/36/90/15/855369015.db2.gz BIMKGZAOARQJBB-SFHVURJKSA-N 2 2 403.364 4.460 20 0 HIADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000311184242 855369019 /nfs/dbraw/zinc/36/90/19/855369019.db2.gz BIMKGZAOARQJBB-SFHVURJKSA-N 2 2 403.364 4.460 20 0 HIADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390862980 855457525 /nfs/dbraw/zinc/45/75/25/855457525.db2.gz LVCAIGGPVZYPFD-GCJKJVERSA-N 2 2 417.391 4.261 20 0 HIADLP C[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390862980 855457529 /nfs/dbraw/zinc/45/75/29/855457529.db2.gz LVCAIGGPVZYPFD-GCJKJVERSA-N 2 2 417.391 4.261 20 0 HIADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000410314563 855923891 /nfs/dbraw/zinc/92/38/91/855923891.db2.gz AYAZOJUCAUZIBT-UHFFFAOYSA-N 2 2 406.574 4.378 20 0 HIADLP O[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000425918749 855998526 /nfs/dbraw/zinc/99/85/26/855998526.db2.gz MPLPKUWDTHROHI-DQEYMECFSA-N 2 2 421.972 4.028 20 0 HIADLP O[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)C[N@H+]1CCc2ccccc2C1 ZINC000425918749 855998530 /nfs/dbraw/zinc/99/85/30/855998530.db2.gz MPLPKUWDTHROHI-DQEYMECFSA-N 2 2 421.972 4.028 20 0 HIADLP C[N@H+](CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CCCCC1 ZINC000426037916 856063564 /nfs/dbraw/zinc/06/35/64/856063564.db2.gz XBIHZAOVYCUFHB-XZOQPEGZSA-N 2 2 409.578 4.066 20 0 HIADLP C[N@@H+](CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CCCCC1 ZINC000426037916 856063568 /nfs/dbraw/zinc/06/35/68/856063568.db2.gz XBIHZAOVYCUFHB-XZOQPEGZSA-N 2 2 409.578 4.066 20 0 HIADLP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1O ZINC000426172882 856153244 /nfs/dbraw/zinc/15/32/44/856153244.db2.gz QBIKFUOCGSRWMA-WOJBJXKFSA-N 2 2 412.574 4.212 20 0 HIADLP C[N@H+](CCOc1c(Cl)cccc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427018621 856598398 /nfs/dbraw/zinc/59/83/98/856598398.db2.gz BCMYSIJPVFINCM-UHFFFAOYSA-N 2 2 408.373 4.406 20 0 HIADLP C[N@@H+](CCOc1c(Cl)cccc1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427018621 856598406 /nfs/dbraw/zinc/59/84/06/856598406.db2.gz BCMYSIJPVFINCM-UHFFFAOYSA-N 2 2 408.373 4.406 20 0 HIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428260249 857131237 /nfs/dbraw/zinc/13/12/37/857131237.db2.gz MMDWANCVFRNZDB-LJQANCHMSA-N 2 2 406.496 4.114 20 0 HIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428260249 857131240 /nfs/dbraw/zinc/13/12/40/857131240.db2.gz MMDWANCVFRNZDB-LJQANCHMSA-N 2 2 406.496 4.114 20 0 HIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428260249 857131243 /nfs/dbraw/zinc/13/12/43/857131243.db2.gz MMDWANCVFRNZDB-LJQANCHMSA-N 2 2 406.496 4.114 20 0 HIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428260249 857131244 /nfs/dbraw/zinc/13/12/44/857131244.db2.gz MMDWANCVFRNZDB-LJQANCHMSA-N 2 2 406.496 4.114 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000428264325 857133292 /nfs/dbraw/zinc/13/32/92/857133292.db2.gz LYXWRXBKSDEHNO-NRFANRHFSA-N 2 2 406.496 4.401 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000428264325 857133294 /nfs/dbraw/zinc/13/32/94/857133294.db2.gz LYXWRXBKSDEHNO-NRFANRHFSA-N 2 2 406.496 4.401 20 0 HIADLP CCC[N@H+](Cc1noc(-c2ccsc2)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000428826998 857363172 /nfs/dbraw/zinc/36/31/72/857363172.db2.gz HCJKQMQDMULHAR-UHFFFAOYSA-N 2 2 412.563 4.086 20 0 HIADLP CCC[N@@H+](Cc1noc(-c2ccsc2)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000428826998 857363176 /nfs/dbraw/zinc/36/31/76/857363176.db2.gz HCJKQMQDMULHAR-UHFFFAOYSA-N 2 2 412.563 4.086 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCc1ccc(Cl)cc1 ZINC000430143500 858052273 /nfs/dbraw/zinc/05/22/73/858052273.db2.gz FGOWABDPUJVJRI-HSZRJFAPSA-N 2 2 400.950 4.455 20 0 HIADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCc1ccc(Cl)cc1 ZINC000430143500 858052278 /nfs/dbraw/zinc/05/22/78/858052278.db2.gz FGOWABDPUJVJRI-HSZRJFAPSA-N 2 2 400.950 4.455 20 0 HIADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OCc1ccc(Cl)cc1 ZINC000430143500 858052285 /nfs/dbraw/zinc/05/22/85/858052285.db2.gz FGOWABDPUJVJRI-HSZRJFAPSA-N 2 2 400.950 4.455 20 0 HIADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OCc1ccc(Cl)cc1 ZINC000430143500 858052290 /nfs/dbraw/zinc/05/22/90/858052290.db2.gz FGOWABDPUJVJRI-HSZRJFAPSA-N 2 2 400.950 4.455 20 0 HIADLP CC(C)(C)[NH+]1CCC(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000430440040 858164607 /nfs/dbraw/zinc/16/46/07/858164607.db2.gz QXLVIWNGVPKDFC-UHFFFAOYSA-N 2 2 417.985 4.011 20 0 HIADLP Fc1ccc([C@H]2C[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1Br ZINC000430745937 858286257 /nfs/dbraw/zinc/28/62/57/858286257.db2.gz FZSMTHFLFNTEHV-JCNLHEQBSA-N 2 2 404.327 4.488 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000437691475 863029354 /nfs/dbraw/zinc/02/93/54/863029354.db2.gz JDQXOOOJIKXHDO-UHFFFAOYSA-N 2 2 405.498 4.155 20 0 HIADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000431323877 858565138 /nfs/dbraw/zinc/56/51/38/858565138.db2.gz QVDQPUDKJDTFEW-DEOSSOPVSA-N 2 2 421.585 4.201 20 0 HIADLP CC1CC[NH+](Cc2ccc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2)CC1 ZINC000431727594 858768053 /nfs/dbraw/zinc/76/80/53/858768053.db2.gz UYDLYXVBYOLCOX-UHFFFAOYSA-N 2 2 402.542 4.345 20 0 HIADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467730348 881529891 /nfs/dbraw/zinc/52/98/91/881529891.db2.gz AZFIDJPUHIXZHF-CHWSQXEVSA-N 2 2 416.488 4.465 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434685072 860459368 /nfs/dbraw/zinc/45/93/68/860459368.db2.gz MGCYMKRDZUKIEF-ZWKOTPCHSA-N 2 2 420.557 4.411 20 0 HIADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434685285 860459460 /nfs/dbraw/zinc/45/94/60/860459460.db2.gz NILGVDYQSUKOIH-RBUKOAKNSA-N 2 2 408.590 4.227 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1nc(-c2ccccc2)cs1 ZINC000434745054 860478688 /nfs/dbraw/zinc/47/86/88/860478688.db2.gz JILJNVXBXNZKOD-UHFFFAOYSA-N 2 2 421.570 4.161 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3nc(C(F)(F)F)cs3)cc2)CC1 ZINC000467748520 881553728 /nfs/dbraw/zinc/55/37/28/881553728.db2.gz YVQJWRKIXIPHEV-HNNXBMFYSA-N 2 2 412.525 4.150 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCCC[C@@H]3/C=C/c3ccccc3)CC2)CC1 ZINC000441239695 866312799 /nfs/dbraw/zinc/31/27/99/866312799.db2.gz ARSKNADWGABPDM-ZEWVGQQJSA-N 2 2 424.633 4.213 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCCC[C@H]3/C=C/c3ccccc3)CC2)CC1 ZINC000441239692 866313277 /nfs/dbraw/zinc/31/32/77/866313277.db2.gz ARSKNADWGABPDM-CJZRDCOESA-N 2 2 424.633 4.213 20 0 HIADLP c1cc([C@H]2C[NH+](CCCCC[N@@H+]3CCO[C@@H](c4ccsc4)C3)CCO2)cs1 ZINC000468130085 881973528 /nfs/dbraw/zinc/97/35/28/881973528.db2.gz NEJSLGWWALHPTQ-NHCUHLMSSA-N 2 2 406.617 4.427 20 0 HIADLP c1cc([C@H]2C[NH+](CCCCC[N@H+]3CCO[C@@H](c4ccsc4)C3)CCO2)cs1 ZINC000468130085 881973543 /nfs/dbraw/zinc/97/35/43/881973543.db2.gz NEJSLGWWALHPTQ-NHCUHLMSSA-N 2 2 406.617 4.427 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)c(C)c1 ZINC000441382087 866454046 /nfs/dbraw/zinc/45/40/46/866454046.db2.gz NBMYYVNIGLBBFT-HFMPRLQTSA-N 2 2 404.558 4.405 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCc2ccc(Cl)cc2)c(C)c1 ZINC000441382037 866454185 /nfs/dbraw/zinc/45/41/85/866454185.db2.gz JQJVKFWMFZCUGX-GCJKJVERSA-N 2 2 410.949 4.189 20 0 HIADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441387662 866459295 /nfs/dbraw/zinc/45/92/95/866459295.db2.gz QORJAKOPZWSDBM-JTAQYXEDSA-N 2 2 420.557 4.105 20 0 HIADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441911975 866977750 /nfs/dbraw/zinc/97/77/50/866977750.db2.gz RRBXEJVTMHUAIT-INIZCTEOSA-N 2 2 403.368 4.070 20 0 HIADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441911975 866977766 /nfs/dbraw/zinc/97/77/66/866977766.db2.gz RRBXEJVTMHUAIT-INIZCTEOSA-N 2 2 403.368 4.070 20 0 HIADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000442899884 867730297 /nfs/dbraw/zinc/73/02/97/867730297.db2.gz RAIBWEPTUFAXKM-OAQYLSRUSA-N 2 2 421.585 4.028 20 0 HIADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000442899884 867730316 /nfs/dbraw/zinc/73/03/16/867730316.db2.gz RAIBWEPTUFAXKM-OAQYLSRUSA-N 2 2 421.585 4.028 20 0 HIADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCc4c3cc(Cl)cc4Cl)CC2)CC1 ZINC000443610774 868174475 /nfs/dbraw/zinc/17/44/75/868174475.db2.gz QGVOKJNKPVLNHE-NRFANRHFSA-N 2 2 424.416 4.247 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000444599158 868897795 /nfs/dbraw/zinc/89/77/95/868897795.db2.gz WFVUFQJIDVIHHF-SJORKVTESA-N 2 2 423.586 4.049 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000444599158 868897796 /nfs/dbraw/zinc/89/77/96/868897796.db2.gz WFVUFQJIDVIHHF-SJORKVTESA-N 2 2 423.586 4.049 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000444806100 869020262 /nfs/dbraw/zinc/02/02/62/869020262.db2.gz SNDPPTHRXPXNNS-QFBILLFUSA-N 2 2 421.372 4.270 20 0 HIADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000444806100 869020278 /nfs/dbraw/zinc/02/02/78/869020278.db2.gz SNDPPTHRXPXNNS-QFBILLFUSA-N 2 2 421.372 4.270 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(OC4CCCCC4)cc3)CC2)CC1 ZINC000444876915 869072037 /nfs/dbraw/zinc/07/20/37/869072037.db2.gz SLDWMWWVLHJAOP-UHFFFAOYSA-N 2 2 414.594 4.078 20 0 HIADLP CC(C)C[C@H](CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000445214285 869278643 /nfs/dbraw/zinc/27/86/43/869278643.db2.gz MMKJPSVRBQQUEY-ILWGZMRPSA-N 2 2 411.594 4.075 20 0 HIADLP CC[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000445260131 869312089 /nfs/dbraw/zinc/31/20/89/869312089.db2.gz DSPPZAVNKYBRRQ-FQEVSTJZSA-N 2 2 412.405 4.321 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(-c2nc([C@H]3C[NH+]4CCCC[C@H]4CO3)no2)c1 ZINC000445818026 869840650 /nfs/dbraw/zinc/84/06/50/869840650.db2.gz IZCMJXOPLMHDQR-XZOQPEGZSA-N 2 2 418.541 4.294 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(-c2nc([C@H]3C[NH+]4CCCC[C@H]4CO3)no2)c1 ZINC000445818026 869840651 /nfs/dbraw/zinc/84/06/51/869840651.db2.gz IZCMJXOPLMHDQR-XZOQPEGZSA-N 2 2 418.541 4.294 20 0 HIADLP C[NH+](Cc1ccccc1)Cc1cccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000445818026 869840652 /nfs/dbraw/zinc/84/06/52/869840652.db2.gz IZCMJXOPLMHDQR-XZOQPEGZSA-N 2 2 418.541 4.294 20 0 HIADLP C[NH+](Cc1ccccc1)Cc1cccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1 ZINC000445818026 869840654 /nfs/dbraw/zinc/84/06/54/869840654.db2.gz IZCMJXOPLMHDQR-XZOQPEGZSA-N 2 2 418.541 4.294 20 0 HIADLP COc1cc(C)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000446353015 870262506 /nfs/dbraw/zinc/26/25/06/870262506.db2.gz LWKLYWDUAZUPPY-VXKWHMMOSA-N 2 2 416.610 4.113 20 0 HIADLP COc1cc(C)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000446353015 870262519 /nfs/dbraw/zinc/26/25/19/870262519.db2.gz LWKLYWDUAZUPPY-VXKWHMMOSA-N 2 2 416.610 4.113 20 0 HIADLP COC[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CCOCC1 ZINC000446831533 870747770 /nfs/dbraw/zinc/74/77/70/870747770.db2.gz FYDVFEOZSNGTOZ-RUZDIDTESA-N 2 2 405.542 4.130 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccsc1 ZINC000468505836 882502844 /nfs/dbraw/zinc/50/28/44/882502844.db2.gz HPGVJARRJQYZSJ-HSZRJFAPSA-N 2 2 407.583 4.169 20 0 HIADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447721153 871664274 /nfs/dbraw/zinc/66/42/74/871664274.db2.gz FFZUWDUXJVVUAY-FGZHOGPDSA-N 2 2 411.521 4.204 20 0 HIADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447721153 871664281 /nfs/dbraw/zinc/66/42/81/871664281.db2.gz FFZUWDUXJVVUAY-FGZHOGPDSA-N 2 2 411.521 4.204 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1Br ZINC000447930943 871817657 /nfs/dbraw/zinc/81/76/57/871817657.db2.gz NRXKDBIBAOXYQU-UHFFFAOYSA-N 2 2 405.384 4.157 20 0 HIADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000448027326 871866122 /nfs/dbraw/zinc/86/61/22/871866122.db2.gz MNEMQFFYRKPKHM-NLFFAJNJSA-N 2 2 417.601 4.392 20 0 HIADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000448027326 871866128 /nfs/dbraw/zinc/86/61/28/871866128.db2.gz MNEMQFFYRKPKHM-NLFFAJNJSA-N 2 2 417.601 4.392 20 0 HIADLP CN(c1ccccc1)c1ccccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000460499065 873185059 /nfs/dbraw/zinc/18/50/59/873185059.db2.gz RIWOOCHHZUFQQS-UHFFFAOYSA-N 2 2 420.601 4.135 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2sccc2Br)C[C@H](C)O1 ZINC000462537393 875657752 /nfs/dbraw/zinc/65/77/52/875657752.db2.gz VSNDFYYXVNKYBA-GJZGRUSLSA-N 2 2 409.393 4.410 20 0 HIADLP Cc1nn(C(C)C)cc1C[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000462787604 875840389 /nfs/dbraw/zinc/84/03/89/875840389.db2.gz CKXCXGBZXRQWEV-UHFFFAOYSA-N 2 2 423.527 4.093 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462798986 875847198 /nfs/dbraw/zinc/84/71/98/875847198.db2.gz VAIVBVPIFSHSSN-UXHICEINSA-N 2 2 412.496 4.349 20 0 HIADLP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1csc(-c2ccccc2F)n1 ZINC000462813930 875856260 /nfs/dbraw/zinc/85/62/60/875856260.db2.gz BPIZVWGRUUQQFU-OAHLLOKOSA-N 2 2 400.523 4.135 20 0 HIADLP CC1CC[NH+](CCC[C@H]([NH2+]Cc2nnnn2-c2ccccc2)c2ccc(F)cc2)CC1 ZINC000462821854 875860685 /nfs/dbraw/zinc/86/06/85/875860685.db2.gz YYWWIPNRGOSAIE-QHCPKHFHSA-N 2 2 422.552 4.144 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(OC(C)(C)C)cc1 ZINC000463012341 876028120 /nfs/dbraw/zinc/02/81/20/876028120.db2.gz QNTSZWKXDKFGSU-HXUWFJFHSA-N 2 2 412.574 4.426 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC000463136581 876185632 /nfs/dbraw/zinc/18/56/32/876185632.db2.gz FIXYGEMIWDDTQE-DHIUTWEWSA-N 3 2 421.629 4.093 20 0 HIADLP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000463190577 876248726 /nfs/dbraw/zinc/24/87/26/876248726.db2.gz FPBFOZJSIFFMIF-HSZRJFAPSA-N 2 2 405.590 4.364 20 0 HIADLP Cc1nc2ccccc2n1CCCCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000463190577 876248744 /nfs/dbraw/zinc/24/87/44/876248744.db2.gz FPBFOZJSIFFMIF-HSZRJFAPSA-N 2 2 405.590 4.364 20 0 HIADLP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000463190577 876248757 /nfs/dbraw/zinc/24/87/57/876248757.db2.gz FPBFOZJSIFFMIF-HSZRJFAPSA-N 2 2 405.590 4.364 20 0 HIADLP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000463190577 876248769 /nfs/dbraw/zinc/24/87/69/876248769.db2.gz FPBFOZJSIFFMIF-HSZRJFAPSA-N 2 2 405.590 4.364 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccsc1 ZINC000463686828 876808186 /nfs/dbraw/zinc/80/81/86/876808186.db2.gz PEGZNDFZOGTBKH-FQEVSTJZSA-N 2 2 409.559 4.372 20 0 HIADLP C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000463721422 876840911 /nfs/dbraw/zinc/84/09/11/876840911.db2.gz JFTXSPRLFIIKDE-UHFFFAOYSA-N 2 2 403.530 4.270 20 0 HIADLP CCc1cccc(CC)c1NC(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805022 878049595 /nfs/dbraw/zinc/04/95/95/878049595.db2.gz KVCUTYQMJGZGPF-UHFFFAOYSA-N 2 2 408.590 4.383 20 0 HIADLP CCc1cccc(CC)c1NC(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805022 878049617 /nfs/dbraw/zinc/04/96/17/878049617.db2.gz KVCUTYQMJGZGPF-UHFFFAOYSA-N 2 2 408.590 4.383 20 0 HIADLP CC[N@@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807011 878054553 /nfs/dbraw/zinc/05/45/53/878054553.db2.gz SKWXHTNVZCKRNG-SANMLTNESA-N 2 2 420.601 4.196 20 0 HIADLP CC[N@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464807011 878054572 /nfs/dbraw/zinc/05/45/72/878054572.db2.gz SKWXHTNVZCKRNG-SANMLTNESA-N 2 2 420.601 4.196 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810016 878060613 /nfs/dbraw/zinc/06/06/13/878060613.db2.gz NNGOFVRZONSBLP-UHFFFAOYSA-N 2 2 404.917 4.051 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464810016 878060632 /nfs/dbraw/zinc/06/06/32/878060632.db2.gz NNGOFVRZONSBLP-UHFFFAOYSA-N 2 2 404.917 4.051 20 0 HIADLP CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811653 878063300 /nfs/dbraw/zinc/06/33/00/878063300.db2.gz SLNOGMJQMYCJBU-VWLOTQADSA-N 2 2 408.590 4.133 20 0 HIADLP CC[N@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811653 878063321 /nfs/dbraw/zinc/06/33/21/878063321.db2.gz SLNOGMJQMYCJBU-VWLOTQADSA-N 2 2 408.590 4.133 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000465474454 878912251 /nfs/dbraw/zinc/91/22/51/878912251.db2.gz ZOUYYWDEFCDMNC-GAJHUEQPSA-N 2 2 406.505 4.162 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000465474454 878912257 /nfs/dbraw/zinc/91/22/57/878912257.db2.gz ZOUYYWDEFCDMNC-GAJHUEQPSA-N 2 2 406.505 4.162 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503436854 912446134 /nfs/dbraw/zinc/44/61/34/912446134.db2.gz PJOMGSWOWVIGIU-MJGOQNOKSA-N 2 2 414.981 4.272 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503436854 912446147 /nfs/dbraw/zinc/44/61/47/912446147.db2.gz PJOMGSWOWVIGIU-MJGOQNOKSA-N 2 2 414.981 4.272 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503436849 912446380 /nfs/dbraw/zinc/44/63/80/912446380.db2.gz PJOMGSWOWVIGIU-HKUYNNGSSA-N 2 2 414.981 4.272 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503436849 912446400 /nfs/dbraw/zinc/44/64/00/912446400.db2.gz PJOMGSWOWVIGIU-HKUYNNGSSA-N 2 2 414.981 4.272 20 0 HIADLP Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000466139182 879850024 /nfs/dbraw/zinc/85/00/24/879850024.db2.gz AYPAIZOWMQFOSF-FPOVZHCZSA-N 2 2 416.610 4.021 20 0 HIADLP CCCOc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000466141264 879851483 /nfs/dbraw/zinc/85/14/83/879851483.db2.gz NGSDDXDCOOUYNI-UHFFFAOYSA-N 2 2 423.001 4.201 20 0 HIADLP C[NH+]1CCC(CNC(=O)N(Cc2ccoc2)C2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000466153275 879858545 /nfs/dbraw/zinc/85/85/45/879858545.db2.gz IWUVRSNQLDDMSP-UHFFFAOYSA-N 2 2 416.610 4.074 20 0 HIADLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1I ZINC000466364596 880122130 /nfs/dbraw/zinc/12/21/30/880122130.db2.gz MECISGFEHXWSTH-UHFFFAOYSA-N 2 2 403.267 4.075 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)OC)s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000466966133 880761174 /nfs/dbraw/zinc/76/11/74/880761174.db2.gz FXTJDIRRYTUVJA-UHFFFAOYSA-N 2 2 416.591 4.247 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)OC)s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000466966133 880761198 /nfs/dbraw/zinc/76/11/98/880761198.db2.gz FXTJDIRRYTUVJA-UHFFFAOYSA-N 2 2 416.591 4.247 20 0 HIADLP C[NH+]1CCC(CNC(=O)C2(c3c(Cl)cccc3Cl)CC2)([NH+]2CCCCC2)CC1 ZINC000469138355 883234689 /nfs/dbraw/zinc/23/46/89/883234689.db2.gz KBTBTROWHGFCIF-UHFFFAOYSA-N 2 2 424.416 4.092 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000469758903 883923804 /nfs/dbraw/zinc/92/38/04/883923804.db2.gz TXTQHKNUQKQQAI-CYGODWOOSA-N 2 2 422.598 4.005 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000469758903 883923811 /nfs/dbraw/zinc/92/38/11/883923811.db2.gz TXTQHKNUQKQQAI-CYGODWOOSA-N 2 2 422.598 4.005 20 0 HIADLP C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@H]1n1cc[nH+]c1 ZINC000469759260 883926000 /nfs/dbraw/zinc/92/60/00/883926000.db2.gz XNFKQOIZVVMVDG-NZQKXSOJSA-N 2 2 409.578 4.052 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000469773236 883947561 /nfs/dbraw/zinc/94/75/61/883947561.db2.gz WLFPMQVJQIAXIH-CLCXKQKWSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000469773236 883947571 /nfs/dbraw/zinc/94/75/71/883947571.db2.gz WLFPMQVJQIAXIH-CLCXKQKWSA-N 2 2 416.393 4.047 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469865265 884053357 /nfs/dbraw/zinc/05/33/57/884053357.db2.gz VDVQKKQGWCTGEP-VIZSFHNOSA-N 2 2 409.578 4.050 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000469865265 884053375 /nfs/dbraw/zinc/05/33/75/884053375.db2.gz VDVQKKQGWCTGEP-VIZSFHNOSA-N 2 2 409.578 4.050 20 0 HIADLP C[N@H+](Cc1ccc(Oc2cccc(Br)c2)cc1)C1CC[NH+](CCO)CC1 ZINC000470169160 884446821 /nfs/dbraw/zinc/44/68/21/884446821.db2.gz BTPYUVGEMROMSA-UHFFFAOYSA-N 2 2 419.363 4.130 20 0 HIADLP C[N@@H+](Cc1ccc(Oc2cccc(Br)c2)cc1)C1CC[NH+](CCO)CC1 ZINC000470169160 884446836 /nfs/dbraw/zinc/44/68/36/884446836.db2.gz BTPYUVGEMROMSA-UHFFFAOYSA-N 2 2 419.363 4.130 20 0 HIADLP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471170777 885728323 /nfs/dbraw/zinc/72/83/23/885728323.db2.gz WIHHLWRHEBEEFH-UHFFFAOYSA-N 2 2 407.480 4.118 20 0 HIADLP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471170777 885728329 /nfs/dbraw/zinc/72/83/29/885728329.db2.gz WIHHLWRHEBEEFH-UHFFFAOYSA-N 2 2 407.480 4.118 20 0 HIADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000473736846 888516170 /nfs/dbraw/zinc/51/61/70/888516170.db2.gz BWENILKWPUGIAJ-REWPJTCUSA-N 2 2 411.594 4.298 20 0 HIADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000473736846 888516182 /nfs/dbraw/zinc/51/61/82/888516182.db2.gz BWENILKWPUGIAJ-REWPJTCUSA-N 2 2 411.594 4.298 20 0 HIADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000473745245 888529013 /nfs/dbraw/zinc/52/90/13/888529013.db2.gz RIQSDLRHYHSJOX-QHCPKHFHSA-N 2 2 410.562 4.067 20 0 HIADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000473745245 888529027 /nfs/dbraw/zinc/52/90/27/888529027.db2.gz RIQSDLRHYHSJOX-QHCPKHFHSA-N 2 2 410.562 4.067 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C2 ZINC000474203506 889041353 /nfs/dbraw/zinc/04/13/53/889041353.db2.gz IOWGQRFHDWNZFQ-XLIONFOSSA-N 2 2 414.619 4.289 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)CC2 ZINC000474203506 889041361 /nfs/dbraw/zinc/04/13/61/889041361.db2.gz IOWGQRFHDWNZFQ-XLIONFOSSA-N 2 2 414.619 4.289 20 0 HIADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3Br)c2)CCO1 ZINC000474619890 889483625 /nfs/dbraw/zinc/48/36/25/889483625.db2.gz GCOZVJLPPDYDPS-HNNXBMFYSA-N 2 2 407.327 4.099 20 0 HIADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3Br)c2)CCO1 ZINC000474619890 889483629 /nfs/dbraw/zinc/48/36/29/889483629.db2.gz GCOZVJLPPDYDPS-HNNXBMFYSA-N 2 2 407.327 4.099 20 0 HIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000475189359 890059059 /nfs/dbraw/zinc/05/90/59/890059059.db2.gz AHNXWQNKALVZJH-VIZSFHNOSA-N 2 2 412.574 4.077 20 0 HIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000475189359 890059071 /nfs/dbraw/zinc/05/90/71/890059071.db2.gz AHNXWQNKALVZJH-VIZSFHNOSA-N 2 2 412.574 4.077 20 0 HIADLP Cn1c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000475279883 890177908 /nfs/dbraw/zinc/17/79/08/890177908.db2.gz OYNXECUOFHLUKD-QGZVFWFLSA-N 2 2 402.464 4.204 20 0 HIADLP Cn1c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000475279883 890177925 /nfs/dbraw/zinc/17/79/25/890177925.db2.gz OYNXECUOFHLUKD-QGZVFWFLSA-N 2 2 402.464 4.204 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)CC2)CC1 ZINC000475341743 890264711 /nfs/dbraw/zinc/26/47/11/890264711.db2.gz FHDJFJQSTRSSED-UHFFFAOYSA-N 2 2 401.639 4.048 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(C[N@H+](C)Cc3ccccc3)CC1)C2 ZINC000475606873 890534669 /nfs/dbraw/zinc/53/46/69/890534669.db2.gz LGLRXWKQOSEPRP-NRFANRHFSA-N 2 2 408.590 4.009 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(C[N@@H+](C)Cc3ccccc3)CC1)C2 ZINC000475606873 890534683 /nfs/dbraw/zinc/53/46/83/890534683.db2.gz LGLRXWKQOSEPRP-NRFANRHFSA-N 2 2 408.590 4.009 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(C[N@H+](C)Cc3ccccc3)CC1)CC2 ZINC000475606873 890534687 /nfs/dbraw/zinc/53/46/87/890534687.db2.gz LGLRXWKQOSEPRP-NRFANRHFSA-N 2 2 408.590 4.009 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc3ccccc3)CC1)CC2 ZINC000475606873 890534697 /nfs/dbraw/zinc/53/46/97/890534697.db2.gz LGLRXWKQOSEPRP-NRFANRHFSA-N 2 2 408.590 4.009 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000476085236 891008552 /nfs/dbraw/zinc/00/85/52/891008552.db2.gz KITLNGKFKHJRIN-CEWLAPEOSA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000476085236 891008561 /nfs/dbraw/zinc/00/85/61/891008561.db2.gz KITLNGKFKHJRIN-CEWLAPEOSA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000476085236 891008573 /nfs/dbraw/zinc/00/85/73/891008573.db2.gz KITLNGKFKHJRIN-CEWLAPEOSA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000476085236 891008585 /nfs/dbraw/zinc/00/85/85/891008585.db2.gz KITLNGKFKHJRIN-CEWLAPEOSA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@H]3C)CC1)C2 ZINC000476310254 891220001 /nfs/dbraw/zinc/22/00/01/891220001.db2.gz CLXPPXWWGMGWOS-UYAOXDASSA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)C2 ZINC000476310254 891220018 /nfs/dbraw/zinc/22/00/18/891220018.db2.gz CLXPPXWWGMGWOS-UYAOXDASSA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@H]3C)CC1)CC2 ZINC000476310254 891220036 /nfs/dbraw/zinc/22/00/36/891220036.db2.gz CLXPPXWWGMGWOS-UYAOXDASSA-N 2 2 400.611 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)CC2 ZINC000476310254 891220057 /nfs/dbraw/zinc/22/00/57/891220057.db2.gz CLXPPXWWGMGWOS-UYAOXDASSA-N 2 2 400.611 4.141 20 0 HIADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476317663 891225003 /nfs/dbraw/zinc/22/50/03/891225003.db2.gz YQJSCDTVDAYXJP-MRXNPFEDSA-N 2 2 418.532 4.126 20 0 HIADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476317663 891225019 /nfs/dbraw/zinc/22/50/19/891225019.db2.gz YQJSCDTVDAYXJP-MRXNPFEDSA-N 2 2 418.532 4.126 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3nc(C)c(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000477287478 892243897 /nfs/dbraw/zinc/24/38/97/892243897.db2.gz PRSCLSZNDFSRAV-YLJYHZDGSA-N 2 2 402.970 4.076 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3nc(C)c(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000477287478 892243919 /nfs/dbraw/zinc/24/39/19/892243919.db2.gz PRSCLSZNDFSRAV-YLJYHZDGSA-N 2 2 402.970 4.076 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3nc(C)c(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000477287477 892245521 /nfs/dbraw/zinc/24/55/21/892245521.db2.gz PRSCLSZNDFSRAV-XLIONFOSSA-N 2 2 402.970 4.076 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3nc(C)c(-c4ccc(Cl)cc4)o3)C2)CC1 ZINC000477287477 892245549 /nfs/dbraw/zinc/24/55/49/892245549.db2.gz PRSCLSZNDFSRAV-XLIONFOSSA-N 2 2 402.970 4.076 20 0 HIADLP C[C@@H](Cc1ccc(Br)cc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000479292712 894574377 /nfs/dbraw/zinc/57/43/77/894574377.db2.gz XTQGUDXXAPGCCB-INIZCTEOSA-N 2 2 417.395 4.418 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCc4nn(-c5ccccc5)cc43)[nH+]c2)CC1 ZINC000479431523 894747083 /nfs/dbraw/zinc/74/70/83/894747083.db2.gz ZUVLLPVHZNVKAZ-HSZRJFAPSA-N 2 2 416.573 4.287 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000479440882 894757216 /nfs/dbraw/zinc/75/72/16/894757216.db2.gz UZKIQNYCRKSLND-FQEVSTJZSA-N 2 2 409.578 4.058 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000479440882 894757236 /nfs/dbraw/zinc/75/72/36/894757236.db2.gz UZKIQNYCRKSLND-FQEVSTJZSA-N 2 2 409.578 4.058 20 0 HIADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000479464071 894786561 /nfs/dbraw/zinc/78/65/61/894786561.db2.gz UICRHNGCWYNGTF-IBGZPJMESA-N 2 2 402.542 4.467 20 0 HIADLP COc1cc([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc(OC)c1OC ZINC000479482173 894804598 /nfs/dbraw/zinc/80/45/98/894804598.db2.gz XOUUQDFBTGSVGK-IGEOTXOUSA-N 2 2 416.484 4.168 20 0 HIADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(N2CCCC2=O)c1 ZINC000479486292 894808148 /nfs/dbraw/zinc/80/81/48/894808148.db2.gz HQEYCIWXQNZGLE-MYWSLZCHSA-N 2 2 409.496 4.269 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479523531 894832916 /nfs/dbraw/zinc/83/29/16/894832916.db2.gz QFTZMXPDGBGQGO-UWJYYQICSA-N 2 2 407.480 4.065 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000479523531 894832923 /nfs/dbraw/zinc/83/29/23/894832923.db2.gz QFTZMXPDGBGQGO-UWJYYQICSA-N 2 2 407.480 4.065 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1)CCC2 ZINC000480181397 895573213 /nfs/dbraw/zinc/57/32/13/895573213.db2.gz NWUVEQJSNRJDOK-APWZRJJASA-N 2 2 412.335 4.001 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1)CCC2 ZINC000480181400 895573729 /nfs/dbraw/zinc/57/37/29/895573729.db2.gz NWUVEQJSNRJDOK-LPHOPBHVSA-N 2 2 412.335 4.001 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000480223602 895627778 /nfs/dbraw/zinc/62/77/78/895627778.db2.gz IHOCNGLWQLTWKQ-NRFANRHFSA-N 2 2 423.605 4.079 20 0 HIADLP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)nnn1-c1ccccc1 ZINC000480241298 895650997 /nfs/dbraw/zinc/65/09/97/895650997.db2.gz OHNSMGHBILRVGL-AQNXPRMDSA-N 2 2 419.573 4.036 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000480385726 895792870 /nfs/dbraw/zinc/79/28/70/895792870.db2.gz RETTXKYAEOGSAS-LJQANCHMSA-N 2 2 407.537 4.004 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)CC2)CC1 ZINC000480510685 895878748 /nfs/dbraw/zinc/87/87/48/895878748.db2.gz KXZFIQZRUWFYFW-UHFFFAOYSA-N 2 2 411.634 4.324 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480772314 896135888 /nfs/dbraw/zinc/13/58/88/896135888.db2.gz UJIPMXLRASOQQY-YGOYIFOWSA-N 2 2 413.009 4.372 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480772314 896135894 /nfs/dbraw/zinc/13/58/94/896135894.db2.gz UJIPMXLRASOQQY-YGOYIFOWSA-N 2 2 413.009 4.372 20 0 HIADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cc3)cc2)CC1 ZINC000480833282 896207360 /nfs/dbraw/zinc/20/73/60/896207360.db2.gz LUTCJNHDBFUPJK-SANMLTNESA-N 2 2 403.545 4.452 20 0 HIADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cc3)cc2)CC1 ZINC000480833282 896207375 /nfs/dbraw/zinc/20/73/75/896207375.db2.gz LUTCJNHDBFUPJK-SANMLTNESA-N 2 2 403.545 4.452 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000480886088 896242081 /nfs/dbraw/zinc/24/20/81/896242081.db2.gz XHBFMQULRZQXFV-CYFREDJKSA-N 2 2 406.574 4.211 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000480886088 896242099 /nfs/dbraw/zinc/24/20/99/896242099.db2.gz XHBFMQULRZQXFV-CYFREDJKSA-N 2 2 406.574 4.211 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000480900912 896256700 /nfs/dbraw/zinc/25/67/00/896256700.db2.gz SKMPYIIREBPHGE-UZLBHIALSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000480900912 896256720 /nfs/dbraw/zinc/25/67/20/896256720.db2.gz SKMPYIIREBPHGE-UZLBHIALSA-N 2 2 413.363 4.097 20 0 HIADLP Fc1cccc(F)c1-c1csc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000481081025 896401193 /nfs/dbraw/zinc/40/11/93/896401193.db2.gz YQFOOBLVRBRMOG-UHFFFAOYSA-N 2 2 421.557 4.413 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000481178864 896519161 /nfs/dbraw/zinc/51/91/61/896519161.db2.gz XEWYKDBZVGCEQU-GKAYAJSDSA-N 2 2 413.993 4.406 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000481178864 896519182 /nfs/dbraw/zinc/51/91/82/896519182.db2.gz XEWYKDBZVGCEQU-GKAYAJSDSA-N 2 2 413.993 4.406 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCSc2ccccc21 ZINC000481182895 896524083 /nfs/dbraw/zinc/52/40/83/896524083.db2.gz QLSYBKZOXGBCLP-IRFCIJBXSA-N 2 2 409.599 4.014 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCSc2ccccc21 ZINC000481182895 896524101 /nfs/dbraw/zinc/52/41/01/896524101.db2.gz QLSYBKZOXGBCLP-IRFCIJBXSA-N 2 2 409.599 4.014 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cc(Cl)ccc1F ZINC000481181785 896525262 /nfs/dbraw/zinc/52/52/62/896525262.db2.gz NSHACIWFUWWYOA-GUXCAODWSA-N 2 2 403.929 4.306 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1cc(Cl)ccc1F ZINC000481181785 896525285 /nfs/dbraw/zinc/52/52/85/896525285.db2.gz NSHACIWFUWWYOA-GUXCAODWSA-N 2 2 403.929 4.306 20 0 HIADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481188923 896535361 /nfs/dbraw/zinc/53/53/61/896535361.db2.gz LLLCOULRQGIYLE-QPPBQGQZSA-N 2 2 420.601 4.034 20 0 HIADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481188923 896535377 /nfs/dbraw/zinc/53/53/77/896535377.db2.gz LLLCOULRQGIYLE-QPPBQGQZSA-N 2 2 420.601 4.034 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc2c(s1)CCCC2 ZINC000481396595 896803691 /nfs/dbraw/zinc/80/36/91/896803691.db2.gz BMEBRZQCTWPNKH-GOSISDBHSA-N 2 2 400.588 4.189 20 0 HIADLP C[C@@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481548015 896913337 /nfs/dbraw/zinc/91/33/37/896913337.db2.gz PAZLUFHFSDUSMG-PBHICJAKSA-N 2 2 406.313 4.270 20 0 HIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2-c2ccccc2)[C@@H](C)C1 ZINC000482147713 897609211 /nfs/dbraw/zinc/60/92/11/897609211.db2.gz RKOABYMGUJZYPM-NZQKXSOJSA-N 2 2 409.574 4.019 20 0 HIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2-c2ccccc2)[C@@H](C)C1 ZINC000482147713 897609222 /nfs/dbraw/zinc/60/92/22/897609222.db2.gz RKOABYMGUJZYPM-NZQKXSOJSA-N 2 2 409.574 4.019 20 0 HIADLP COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)o2)cc1 ZINC000482209962 897689882 /nfs/dbraw/zinc/68/98/82/897689882.db2.gz MPAAGTGZJAXIOL-UHFFFAOYSA-N 2 2 401.466 4.268 20 0 HIADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)o1 ZINC000482219083 897698227 /nfs/dbraw/zinc/69/82/27/897698227.db2.gz RNQZJAMLHMHONH-UHFFFAOYSA-N 2 2 415.493 4.310 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000482556210 898147508 /nfs/dbraw/zinc/14/75/08/898147508.db2.gz IINSNIUPQKYATJ-IBGZPJMESA-N 3 2 402.602 4.025 20 0 HIADLP COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1OC ZINC000482558436 898150939 /nfs/dbraw/zinc/15/09/39/898150939.db2.gz SVXAZGXSORINRS-HZPDHXFCSA-N 2 2 419.516 4.146 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000482609246 898209381 /nfs/dbraw/zinc/20/93/81/898209381.db2.gz VMSXMILUIMWEEF-INIZCTEOSA-N 2 2 416.367 4.381 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483137171 898817455 /nfs/dbraw/zinc/81/74/55/898817455.db2.gz TZAHJGXIEBMDLI-SJORKVTESA-N 2 2 404.551 4.105 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000483188858 898847852 /nfs/dbraw/zinc/84/78/52/898847852.db2.gz XRUGPFPPGNCMMH-HRAATJIYSA-N 2 2 420.370 4.416 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ccc(Br)cc1F ZINC000483188858 898847853 /nfs/dbraw/zinc/84/78/53/898847853.db2.gz XRUGPFPPGNCMMH-HRAATJIYSA-N 2 2 420.370 4.416 20 0 HIADLP CC(C)c1cccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000483343955 898976419 /nfs/dbraw/zinc/97/64/19/898976419.db2.gz RRUZKXOLMWWYQN-ZEQRLZLVSA-N 2 2 414.638 4.289 20 0 HIADLP CC(C)c1cccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000483343955 898976447 /nfs/dbraw/zinc/97/64/47/898976447.db2.gz RRUZKXOLMWWYQN-ZEQRLZLVSA-N 2 2 414.638 4.289 20 0 HIADLP CC(C)c1cccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000483343953 898977168 /nfs/dbraw/zinc/97/71/68/898977168.db2.gz RRUZKXOLMWWYQN-DNQXCXABSA-N 2 2 414.638 4.289 20 0 HIADLP CC(C)c1cccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000483343953 898977180 /nfs/dbraw/zinc/97/71/80/898977180.db2.gz RRUZKXOLMWWYQN-DNQXCXABSA-N 2 2 414.638 4.289 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1 ZINC000483661981 899323552 /nfs/dbraw/zinc/32/35/52/899323552.db2.gz OQESQRDJAJCZAF-UHFFFAOYSA-N 2 2 416.516 4.122 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1c(F)cc(F)cc1-c1ccccc1 ZINC000483661981 899323568 /nfs/dbraw/zinc/32/35/68/899323568.db2.gz OQESQRDJAJCZAF-UHFFFAOYSA-N 2 2 416.516 4.122 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000483720663 899381348 /nfs/dbraw/zinc/38/13/48/899381348.db2.gz GKAYMDVMVAVKID-QFQXNSOFSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000483720663 899381359 /nfs/dbraw/zinc/38/13/59/899381359.db2.gz GKAYMDVMVAVKID-QFQXNSOFSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000483720663 899381379 /nfs/dbraw/zinc/38/13/79/899381379.db2.gz GKAYMDVMVAVKID-QFQXNSOFSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000483720663 899381394 /nfs/dbraw/zinc/38/13/94/899381394.db2.gz GKAYMDVMVAVKID-QFQXNSOFSA-N 3 2 418.585 4.307 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000484150600 899771317 /nfs/dbraw/zinc/77/13/17/899771317.db2.gz YJXTVVQKEPAXPN-WMQCIHAUSA-N 2 2 402.991 4.350 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000484150600 899771325 /nfs/dbraw/zinc/77/13/25/899771325.db2.gz YJXTVVQKEPAXPN-WMQCIHAUSA-N 2 2 402.991 4.350 20 0 HIADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1OC(F)F ZINC000484162499 899782331 /nfs/dbraw/zinc/78/23/31/899782331.db2.gz OSGHTZJIBJSRSR-GIVPXCGWSA-N 2 2 404.501 4.212 20 0 HIADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1OC(F)F ZINC000484162499 899782339 /nfs/dbraw/zinc/78/23/39/899782339.db2.gz OSGHTZJIBJSRSR-GIVPXCGWSA-N 2 2 404.501 4.212 20 0 HIADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484168061 899788095 /nfs/dbraw/zinc/78/80/95/899788095.db2.gz AAEJRRFBNLMUGN-CLOONOSVSA-N 2 2 421.610 4.330 20 0 HIADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484168061 899788105 /nfs/dbraw/zinc/78/81/05/899788105.db2.gz AAEJRRFBNLMUGN-CLOONOSVSA-N 2 2 421.610 4.330 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000484171744 899791109 /nfs/dbraw/zinc/79/11/09/899791109.db2.gz GXZDFJOBVCLRBZ-LRQRDZAKSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000484171744 899791117 /nfs/dbraw/zinc/79/11/17/899791117.db2.gz GXZDFJOBVCLRBZ-LRQRDZAKSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(-c2ccncc2)c1 ZINC000484178828 899796284 /nfs/dbraw/zinc/79/62/84/899796284.db2.gz RAALKINUGQXWES-LZYPDUGYSA-N 2 2 401.554 4.282 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(-c2ccncc2)c1 ZINC000484178828 899796294 /nfs/dbraw/zinc/79/62/94/899796294.db2.gz RAALKINUGQXWES-LZYPDUGYSA-N 2 2 401.554 4.282 20 0 HIADLP C[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc(-n2cccn2)cc1 ZINC000484182541 899799017 /nfs/dbraw/zinc/79/90/17/899799017.db2.gz WKGSUWPHYIOVBF-NHCUHLMSSA-N 2 2 404.558 4.423 20 0 HIADLP CCCc1nc(C)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000486356696 901527032 /nfs/dbraw/zinc/52/70/32/901527032.db2.gz XCGDQOHDCHDRRQ-OALUTQOASA-N 2 2 421.655 4.205 20 0 HIADLP CCCc1nc(C)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000486356696 901527041 /nfs/dbraw/zinc/52/70/41/901527041.db2.gz XCGDQOHDCHDRRQ-OALUTQOASA-N 2 2 421.655 4.205 20 0 HIADLP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488421073 902819062 /nfs/dbraw/zinc/81/90/62/902819062.db2.gz QIJJZLYQKYOVDW-GOSISDBHSA-N 2 2 404.624 4.005 20 0 HIADLP CCN(C(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000489331729 903334756 /nfs/dbraw/zinc/33/47/56/903334756.db2.gz RZICECGOUSHHRU-HXUWFJFHSA-N 2 2 400.611 4.190 20 0 HIADLP CCN(C(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000489331729 903334772 /nfs/dbraw/zinc/33/47/72/903334772.db2.gz RZICECGOUSHHRU-HXUWFJFHSA-N 2 2 400.611 4.190 20 0 HIADLP CCC[NH+]1CCC([NH+](C)Cc2cccc(C[N@@H+](C)C3CC[NH+](CCC)CC3)c2)CC1 ZINC000489460782 903397861 /nfs/dbraw/zinc/39/78/61/903397861.db2.gz VQMHKPVQQTXLCP-UHFFFAOYSA-N 4 2 414.682 4.299 20 0 HIADLP CCC[NH+]1CCC([NH+](C)Cc2cccc(C[N@H+](C)C3CC[NH+](CCC)CC3)c2)CC1 ZINC000489460782 903397874 /nfs/dbraw/zinc/39/78/74/903397874.db2.gz VQMHKPVQQTXLCP-UHFFFAOYSA-N 4 2 414.682 4.299 20 0 HIADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCCO2 ZINC000489560106 903464127 /nfs/dbraw/zinc/46/41/27/903464127.db2.gz LUJPASZBZVMEPG-JOCHJYFZSA-N 2 2 400.950 4.484 20 0 HIADLP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCCO2 ZINC000489575621 903475027 /nfs/dbraw/zinc/47/50/27/903475027.db2.gz WLMOUIZKLPCZKG-QFIPXVFZSA-N 2 2 400.950 4.484 20 0 HIADLP CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000489651203 903516070 /nfs/dbraw/zinc/51/60/70/903516070.db2.gz UDWWJYIGWHROOM-IBGZPJMESA-N 2 2 407.558 4.060 20 0 HIADLP CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000489651203 903516076 /nfs/dbraw/zinc/51/60/76/903516076.db2.gz UDWWJYIGWHROOM-IBGZPJMESA-N 2 2 407.558 4.060 20 0 HIADLP CC[N@H+](C)[C@H](C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000490032546 903733009 /nfs/dbraw/zinc/73/30/09/903733009.db2.gz RDMXWEMGEIQQRI-DEOSSOPVSA-N 2 2 422.573 4.051 20 0 HIADLP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000490032546 903733019 /nfs/dbraw/zinc/73/30/19/903733019.db2.gz RDMXWEMGEIQQRI-DEOSSOPVSA-N 2 2 422.573 4.051 20 0 HIADLP Brc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000490341972 903933626 /nfs/dbraw/zinc/93/36/26/903933626.db2.gz RNXMJOOUMYFHSP-MGPUTAFESA-N 2 2 400.364 4.446 20 0 HIADLP Brc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2ncccc12 ZINC000490341972 903933628 /nfs/dbraw/zinc/93/36/28/903933628.db2.gz RNXMJOOUMYFHSP-MGPUTAFESA-N 2 2 400.364 4.446 20 0 HIADLP Brc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ncccc12 ZINC000490341972 903933634 /nfs/dbraw/zinc/93/36/34/903933634.db2.gz RNXMJOOUMYFHSP-MGPUTAFESA-N 2 2 400.364 4.446 20 0 HIADLP Brc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ncccc12 ZINC000490341972 903933641 /nfs/dbraw/zinc/93/36/41/903933641.db2.gz RNXMJOOUMYFHSP-MGPUTAFESA-N 2 2 400.364 4.446 20 0 HIADLP C[C@@H](C[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F)CN1CC[NH+](C)CC1 ZINC000491061567 904405184 /nfs/dbraw/zinc/40/51/84/904405184.db2.gz RQYOBUWMOZTAIS-AOMKIAJQSA-N 2 2 407.936 4.181 20 0 HIADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000492210369 904816003 /nfs/dbraw/zinc/81/60/03/904816003.db2.gz NFJVUSQBGKNTII-QHCPKHFHSA-N 2 2 417.956 4.101 20 0 HIADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000492210368 904816244 /nfs/dbraw/zinc/81/62/44/904816244.db2.gz NFJVUSQBGKNTII-HSZRJFAPSA-N 2 2 417.956 4.101 20 0 HIADLP CCN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000492349524 904836634 /nfs/dbraw/zinc/83/66/34/904836634.db2.gz GKCVLSNKBDJWEK-UGKGYDQZSA-N 2 2 418.545 4.016 20 0 HIADLP CCN(C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000492349524 904836637 /nfs/dbraw/zinc/83/66/37/904836637.db2.gz GKCVLSNKBDJWEK-UGKGYDQZSA-N 2 2 418.545 4.016 20 0 HIADLP COc1cc(-c2ccccc2)ccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000512400364 921135894 /nfs/dbraw/zinc/13/58/94/921135894.db2.gz DZCKSRJYPIZGBT-UHFFFAOYSA-N 2 2 402.538 4.484 20 0 HIADLP COC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000493961334 905311924 /nfs/dbraw/zinc/31/19/24/905311924.db2.gz PFNULPNVFXTRND-IERDGZPVSA-N 2 2 405.945 4.269 20 0 HIADLP Brc1ccc(OCc2ccccc2)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494395011 905690855 /nfs/dbraw/zinc/69/08/55/905690855.db2.gz WTPXYEPEGVZVBU-LJQANCHMSA-N 2 2 412.331 4.329 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494404563 905696532 /nfs/dbraw/zinc/69/65/32/905696532.db2.gz KRHLWGPYOJSHGA-QGZVFWFLSA-N 2 2 414.351 4.059 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnn(Cc3ccc(C(F)(F)F)cc3)c1)CCC2 ZINC000494614881 905863067 /nfs/dbraw/zinc/86/30/67/905863067.db2.gz UWYVXGGLYSBOFR-GOSISDBHSA-N 2 2 403.452 4.122 20 0 HIADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000494999714 906160991 /nfs/dbraw/zinc/16/09/91/906160991.db2.gz SANDQSOCQLXYRS-QAPCUYQASA-N 2 2 407.345 4.260 20 0 HIADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000494999714 906161005 /nfs/dbraw/zinc/16/10/05/906161005.db2.gz SANDQSOCQLXYRS-QAPCUYQASA-N 2 2 407.345 4.260 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469732 906948203 /nfs/dbraw/zinc/94/82/03/906948203.db2.gz JCQLXUOEMNWGKA-XZOQPEGZSA-N 2 2 413.512 4.124 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469732 906948220 /nfs/dbraw/zinc/94/82/20/906948220.db2.gz JCQLXUOEMNWGKA-XZOQPEGZSA-N 2 2 413.512 4.124 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469732 906948238 /nfs/dbraw/zinc/94/82/38/906948238.db2.gz JCQLXUOEMNWGKA-XZOQPEGZSA-N 2 2 413.512 4.124 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000497469732 906948258 /nfs/dbraw/zinc/94/82/58/906948258.db2.gz JCQLXUOEMNWGKA-XZOQPEGZSA-N 2 2 413.512 4.124 20 0 HIADLP Brc1ccc([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccco2)cc1 ZINC000497541001 907032326 /nfs/dbraw/zinc/03/23/26/907032326.db2.gz YXCSNCMOTQBGIT-FQEVSTJZSA-N 2 2 400.320 4.497 20 0 HIADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C(C)=C\c2ccccc2COC)[C@@H]1c1cnn(C)c1 ZINC000512784569 921310688 /nfs/dbraw/zinc/31/06/88/921310688.db2.gz YVDGHUHVPZMIGG-NYKZXWDPSA-N 2 2 410.606 4.375 20 0 HIADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C(C)=C\c2ccccc2COC)[C@@H]1c1cnn(C)c1 ZINC000512784569 921310689 /nfs/dbraw/zinc/31/06/89/921310689.db2.gz YVDGHUHVPZMIGG-NYKZXWDPSA-N 2 2 410.606 4.375 20 0 HIADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C(C)=C\c2ccccc2COC)[C@@H]1c1cnn(C)c1 ZINC000512784569 921310691 /nfs/dbraw/zinc/31/06/91/921310691.db2.gz YVDGHUHVPZMIGG-NYKZXWDPSA-N 2 2 410.606 4.375 20 0 HIADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C(C)=C\c2ccccc2COC)[C@@H]1c1cnn(C)c1 ZINC000512784569 921310693 /nfs/dbraw/zinc/31/06/93/921310693.db2.gz YVDGHUHVPZMIGG-NYKZXWDPSA-N 2 2 410.606 4.375 20 0 HIADLP Cc1ccc(NC(=O)C2(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)CCCC2)cc1C ZINC000513024536 921485949 /nfs/dbraw/zinc/48/59/49/921485949.db2.gz UBVKNVQGXRBSHD-UHFFFAOYSA-N 2 2 406.574 4.456 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500057522 909520646 /nfs/dbraw/zinc/52/06/46/909520646.db2.gz GHSGQWGKVVPKMW-AREMUKBSSA-N 2 2 414.553 4.060 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500057522 909520673 /nfs/dbraw/zinc/52/06/73/909520673.db2.gz GHSGQWGKVVPKMW-AREMUKBSSA-N 2 2 414.553 4.060 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(C)c1 ZINC000500099597 909579621 /nfs/dbraw/zinc/57/96/21/909579621.db2.gz BNHIZAIWXPHWPV-FGCOXFRFSA-N 2 2 419.573 4.232 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)oc1C ZINC000513058681 921514944 /nfs/dbraw/zinc/51/49/44/921514944.db2.gz PYNMDSZXWMNQLI-DVECYGJZSA-N 3 2 410.606 4.146 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)oc1C ZINC000513058681 921514971 /nfs/dbraw/zinc/51/49/71/921514971.db2.gz PYNMDSZXWMNQLI-DVECYGJZSA-N 3 2 410.606 4.146 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)oc1C ZINC000513058682 921515256 /nfs/dbraw/zinc/51/52/56/921515256.db2.gz PYNMDSZXWMNQLI-NTKDMRAZSA-N 3 2 410.606 4.146 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)oc1C ZINC000513058682 921515276 /nfs/dbraw/zinc/51/52/76/921515276.db2.gz PYNMDSZXWMNQLI-NTKDMRAZSA-N 3 2 410.606 4.146 20 0 HIADLP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)c(C[NH+](C)C)c3)cc2)C[C@H](C)O1 ZINC000500750889 910060144 /nfs/dbraw/zinc/06/01/44/910060144.db2.gz UROKCLXELODNEQ-IRXDYDNUSA-N 2 2 415.965 4.263 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000503070261 912038674 /nfs/dbraw/zinc/03/86/74/912038674.db2.gz AYEOIONVYFGHMK-UIAACRFSSA-N 2 2 421.372 4.437 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000503070261 912038692 /nfs/dbraw/zinc/03/86/92/912038692.db2.gz AYEOIONVYFGHMK-UIAACRFSSA-N 2 2 421.372 4.437 20 0 HIADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503075604 912045981 /nfs/dbraw/zinc/04/59/81/912045981.db2.gz OEKLIUSCSKYCTE-REHUZNOOSA-N 2 2 402.542 4.384 20 0 HIADLP C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503075604 912045995 /nfs/dbraw/zinc/04/59/95/912045995.db2.gz OEKLIUSCSKYCTE-REHUZNOOSA-N 2 2 402.542 4.384 20 0 HIADLP c1c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000506322848 914924558 /nfs/dbraw/zinc/92/45/58/914924558.db2.gz BIQCVMJGJYVFEM-UHFFFAOYSA-N 2 2 401.558 4.385 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000506568221 915214701 /nfs/dbraw/zinc/21/47/01/915214701.db2.gz WRFZLMNEXLSYCP-KDOFPFPSSA-N 2 2 423.445 4.497 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000506568221 915214732 /nfs/dbraw/zinc/21/47/32/915214732.db2.gz WRFZLMNEXLSYCP-KDOFPFPSSA-N 2 2 423.445 4.497 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000506568222 915215257 /nfs/dbraw/zinc/21/52/57/915215257.db2.gz WRFZLMNEXLSYCP-KSSFIOAISA-N 2 2 423.445 4.497 20 0 HIADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000506568222 915215286 /nfs/dbraw/zinc/21/52/86/915215286.db2.gz WRFZLMNEXLSYCP-KSSFIOAISA-N 2 2 423.445 4.497 20 0 HIADLP C[C@@H](CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@H+](C)Cc1ccccc1 ZINC000507586072 916341166 /nfs/dbraw/zinc/34/11/66/916341166.db2.gz OZDPTXIVOWNFOH-RBBKRZOGSA-N 2 2 423.605 4.019 20 0 HIADLP C[C@@H](CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000507586072 916341189 /nfs/dbraw/zinc/34/11/89/916341189.db2.gz OZDPTXIVOWNFOH-RBBKRZOGSA-N 2 2 423.605 4.019 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000507896705 916756114 /nfs/dbraw/zinc/75/61/14/916756114.db2.gz SPCONDDOYSKFGY-NFBKMPQASA-N 2 2 402.542 4.014 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000507896705 916756149 /nfs/dbraw/zinc/75/61/49/916756149.db2.gz SPCONDDOYSKFGY-NFBKMPQASA-N 2 2 402.542 4.014 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000508064237 916887627 /nfs/dbraw/zinc/88/76/27/916887627.db2.gz VSFCMIYRAVEQCY-IBGZPJMESA-N 2 2 405.995 4.101 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000508064237 916887629 /nfs/dbraw/zinc/88/76/29/916887629.db2.gz VSFCMIYRAVEQCY-IBGZPJMESA-N 2 2 405.995 4.101 20 0 HIADLP COc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OCc1ccccc1 ZINC000508633265 917397508 /nfs/dbraw/zinc/39/75/08/917397508.db2.gz WSPXHKMARAOTDO-NRFANRHFSA-N 2 2 405.542 4.462 20 0 HIADLP COc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OCc1ccccc1 ZINC000508633265 917397524 /nfs/dbraw/zinc/39/75/24/917397524.db2.gz WSPXHKMARAOTDO-NRFANRHFSA-N 2 2 405.542 4.462 20 0 HIADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[NH+](C)C ZINC000508897778 917653107 /nfs/dbraw/zinc/65/31/07/917653107.db2.gz KIPLILXNRGTOSW-JTAQYXEDSA-N 2 2 423.605 4.108 20 0 HIADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000509603223 918251925 /nfs/dbraw/zinc/25/19/25/918251925.db2.gz KVBRNOCXQCMILK-DQEYMECFSA-N 2 2 411.565 4.190 20 0 HIADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000509603223 918251942 /nfs/dbraw/zinc/25/19/42/918251942.db2.gz KVBRNOCXQCMILK-DQEYMECFSA-N 2 2 411.565 4.190 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000510952583 919487265 /nfs/dbraw/zinc/48/72/65/919487265.db2.gz RPULQPVDFOQOCE-JTSKRJEESA-N 2 2 418.578 4.181 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000510952583 919487285 /nfs/dbraw/zinc/48/72/85/919487285.db2.gz RPULQPVDFOQOCE-JTSKRJEESA-N 2 2 418.578 4.181 20 0 HIADLP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000511007353 919568508 /nfs/dbraw/zinc/56/85/08/919568508.db2.gz BCKNETGTEUBLBO-GCJKJVERSA-N 2 2 400.588 4.041 20 0 HIADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000511007353 919568529 /nfs/dbraw/zinc/56/85/29/919568529.db2.gz BCKNETGTEUBLBO-GCJKJVERSA-N 2 2 400.588 4.041 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000511007354 919568792 /nfs/dbraw/zinc/56/87/92/919568792.db2.gz BCKNETGTEUBLBO-PGRDOPGGSA-N 2 2 400.588 4.041 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000511007354 919568810 /nfs/dbraw/zinc/56/88/10/919568810.db2.gz BCKNETGTEUBLBO-PGRDOPGGSA-N 2 2 400.588 4.041 20 0 HIADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccccc2-c2ccnn2C)CCOCC1)c1ccccc1 ZINC000511168939 919790136 /nfs/dbraw/zinc/79/01/36/919790136.db2.gz JFMDWCHENYBQBO-HXUWFJFHSA-N 2 2 404.558 4.077 20 0 HIADLP C[N@@H+]1CCO[C@@H]([C@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000511376934 919975336 /nfs/dbraw/zinc/97/53/36/919975336.db2.gz ILMGYBWIJXPAPT-DHIUTWEWSA-N 2 2 406.014 4.098 20 0 HIADLP C[N@H+]1CCO[C@@H]([C@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000511376934 919975347 /nfs/dbraw/zinc/97/53/47/919975347.db2.gz ILMGYBWIJXPAPT-DHIUTWEWSA-N 2 2 406.014 4.098 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1)C(C)C ZINC000511385907 919989974 /nfs/dbraw/zinc/98/99/74/919989974.db2.gz WCZKJEDSRJEUMO-UHFFFAOYSA-N 2 2 404.558 4.134 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1)C(C)C ZINC000511385907 919989986 /nfs/dbraw/zinc/98/99/86/919989986.db2.gz WCZKJEDSRJEUMO-UHFFFAOYSA-N 2 2 404.558 4.134 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000511646291 920310476 /nfs/dbraw/zinc/31/04/76/920310476.db2.gz JQXBBYZMXGUYDH-ICSRJNTNSA-N 2 2 412.603 4.226 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)n2)C1 ZINC000511646291 920310499 /nfs/dbraw/zinc/31/04/99/920310499.db2.gz JQXBBYZMXGUYDH-ICSRJNTNSA-N 2 2 412.603 4.226 20 0 HIADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)C1 ZINC000511646291 920310524 /nfs/dbraw/zinc/31/05/24/920310524.db2.gz JQXBBYZMXGUYDH-ICSRJNTNSA-N 2 2 412.603 4.226 20 0 HIADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)C1 ZINC000511646291 920310541 /nfs/dbraw/zinc/31/05/41/920310541.db2.gz JQXBBYZMXGUYDH-ICSRJNTNSA-N 2 2 412.603 4.226 20 0 HIADLP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccccc1Br ZINC000511719171 920385829 /nfs/dbraw/zinc/38/58/29/920385829.db2.gz FYKPNIFSDMISNN-QGZVFWFLSA-N 2 2 424.427 4.211 20 0 HIADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1ccccc1Br ZINC000511719171 920385841 /nfs/dbraw/zinc/38/58/41/920385841.db2.gz FYKPNIFSDMISNN-QGZVFWFLSA-N 2 2 424.427 4.211 20 0 HIADLP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847266 920567471 /nfs/dbraw/zinc/56/74/71/920567471.db2.gz PYUYXLHABJHWDZ-NHCUHLMSSA-N 2 2 419.491 4.089 20 0 HIADLP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847266 920567484 /nfs/dbraw/zinc/56/74/84/920567484.db2.gz PYUYXLHABJHWDZ-NHCUHLMSSA-N 2 2 419.491 4.089 20 0 HIADLP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847266 920567500 /nfs/dbraw/zinc/56/75/00/920567500.db2.gz PYUYXLHABJHWDZ-NHCUHLMSSA-N 2 2 419.491 4.089 20 0 HIADLP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000511847266 920567508 /nfs/dbraw/zinc/56/75/08/920567508.db2.gz PYUYXLHABJHWDZ-NHCUHLMSSA-N 2 2 419.491 4.089 20 0 HIADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c(Br)c1 ZINC000512147820 920889724 /nfs/dbraw/zinc/88/97/24/920889724.db2.gz VHEWTWBGPICRAY-UHFFFAOYSA-N 2 2 404.283 4.381 20 0 HIADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512280145 921035396 /nfs/dbraw/zinc/03/53/96/921035396.db2.gz VJRTUPPAMLUZQG-SANMLTNESA-N 2 2 405.586 4.170 20 0 HIADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512280145 921035410 /nfs/dbraw/zinc/03/54/10/921035410.db2.gz VJRTUPPAMLUZQG-SANMLTNESA-N 2 2 405.586 4.170 20 0 HIADLP CC(C)CNC(=O)c1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000512280145 921035416 /nfs/dbraw/zinc/03/54/16/921035416.db2.gz VJRTUPPAMLUZQG-SANMLTNESA-N 2 2 405.586 4.170 20 0 HIADLP CC(C)CNC(=O)c1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000512280145 921035426 /nfs/dbraw/zinc/03/54/26/921035426.db2.gz VJRTUPPAMLUZQG-SANMLTNESA-N 2 2 405.586 4.170 20 0 HIADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000512285057 921039160 /nfs/dbraw/zinc/03/91/60/921039160.db2.gz IIXNCZVSSBMDFA-UHFFFAOYSA-N 2 2 406.555 4.041 20 0 HIADLP C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512349901 921096063 /nfs/dbraw/zinc/09/60/63/921096063.db2.gz CNERJKXIJTVNPN-UHFFFAOYSA-N 2 2 415.965 4.035 20 0 HIADLP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512349901 921096073 /nfs/dbraw/zinc/09/60/73/921096073.db2.gz CNERJKXIJTVNPN-UHFFFAOYSA-N 2 2 415.965 4.035 20 0 HIADLP CCOc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1OC(F)F ZINC000512364515 921105999 /nfs/dbraw/zinc/10/59/99/921105999.db2.gz HPTKADBSLWFFOI-UHFFFAOYSA-N 2 2 419.516 4.221 20 0 HIADLP CCOc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1OC(F)F ZINC000512364515 921106016 /nfs/dbraw/zinc/10/60/16/921106016.db2.gz HPTKADBSLWFFOI-UHFFFAOYSA-N 2 2 419.516 4.221 20 0 HIADLP O=C(CC[N@@H+]1CCC[C@H]1c1cccc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000513662448 921984321 /nfs/dbraw/zinc/98/43/21/921984321.db2.gz VVASMXKIQWYIQS-DEOSSOPVSA-N 2 2 414.553 4.111 20 0 HIADLP O=C(CC[N@H+]1CCC[C@H]1c1cccc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000513662448 921984335 /nfs/dbraw/zinc/98/43/35/921984335.db2.gz VVASMXKIQWYIQS-DEOSSOPVSA-N 2 2 414.553 4.111 20 0 HIADLP CN(c1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000513750993 922070235 /nfs/dbraw/zinc/07/02/35/922070235.db2.gz UBJXFPNZPKCKCZ-XMMPIXPASA-N 2 2 413.993 4.444 20 0 HIADLP CN(c1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1)C1CC[NH+](C)CC1 ZINC000513750993 922070241 /nfs/dbraw/zinc/07/02/41/922070241.db2.gz UBJXFPNZPKCKCZ-XMMPIXPASA-N 2 2 413.993 4.444 20 0 HIADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000513767048 922085860 /nfs/dbraw/zinc/08/58/60/922085860.db2.gz CTFUVWSFNLWUCB-UHFFFAOYSA-N 2 2 415.607 4.161 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000513767048 922085871 /nfs/dbraw/zinc/08/58/71/922085871.db2.gz CTFUVWSFNLWUCB-UHFFFAOYSA-N 2 2 415.607 4.161 20 0 HIADLP CC1CC[NH+]([C@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c2cccs2)CC1 ZINC000514182697 922521368 /nfs/dbraw/zinc/52/13/68/922521368.db2.gz OFVSLPAYNQJWGI-OAQYLSRUSA-N 2 2 423.586 4.206 20 0 HIADLP CCC[NH+]1CCC(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000514222009 922556573 /nfs/dbraw/zinc/55/65/73/922556573.db2.gz LSFLJDCYSZNJQK-FQEVSTJZSA-N 2 2 424.992 4.037 20 0 HIADLP CC(C)c1scnc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000515249867 923016543 /nfs/dbraw/zinc/01/65/43/923016543.db2.gz KWIMIZJWRHTIDF-QZTJIDSGSA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)c1scnc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000515249867 923016558 /nfs/dbraw/zinc/01/65/58/923016558.db2.gz KWIMIZJWRHTIDF-QZTJIDSGSA-N 2 2 407.628 4.067 20 0 HIADLP FC(F)(F)c1ccc(Br)c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000517205617 924053055 /nfs/dbraw/zinc/05/30/55/924053055.db2.gz XBOPNHIDSQOSAD-CYBMUJFWSA-N 2 2 421.301 4.058 20 0 HIADLP CCc1ccc([C@@H](CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)[NH+](C)C)cc1 ZINC000519199225 927823277 /nfs/dbraw/zinc/82/32/77/927823277.db2.gz SXTYPRAVDIQBTM-NTKDMRAZSA-N 2 2 424.589 4.067 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000519506690 928000022 /nfs/dbraw/zinc/00/00/22/928000022.db2.gz GOLNUGMDPFXVKO-NLFFAJNJSA-N 2 2 405.542 4.392 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000519506690 928000033 /nfs/dbraw/zinc/00/00/33/928000033.db2.gz GOLNUGMDPFXVKO-NLFFAJNJSA-N 2 2 405.542 4.392 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668682 928042772 /nfs/dbraw/zinc/04/27/72/928042772.db2.gz JPAQAHTWYYUUBV-PKOBYXMFSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668682 928042790 /nfs/dbraw/zinc/04/27/90/928042790.db2.gz JPAQAHTWYYUUBV-PKOBYXMFSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668682 928042803 /nfs/dbraw/zinc/04/28/03/928042803.db2.gz JPAQAHTWYYUUBV-PKOBYXMFSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668682 928042817 /nfs/dbraw/zinc/04/28/17/928042817.db2.gz JPAQAHTWYYUUBV-PKOBYXMFSA-N 2 2 420.022 4.169 20 0 HIADLP CC1CC[NH+](Cc2ccc(CNC(=O)NCCCCNc3cccc[nH+]3)cc2)CC1 ZINC000520614091 928674856 /nfs/dbraw/zinc/67/48/56/928674856.db2.gz RQTGPWOMPMFJSV-UHFFFAOYSA-N 2 2 409.578 4.005 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)[NH+](C)C)cc1 ZINC000520830065 928835861 /nfs/dbraw/zinc/83/58/61/928835861.db2.gz JTKWRIWZLWCXNL-FXAWDEMLSA-N 2 2 415.607 4.108 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)[NH+](C)C)cc1 ZINC000520830065 928835867 /nfs/dbraw/zinc/83/58/67/928835867.db2.gz JTKWRIWZLWCXNL-FXAWDEMLSA-N 2 2 415.607 4.108 20 0 HIADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000520974861 928897640 /nfs/dbraw/zinc/89/76/40/928897640.db2.gz SUKLCECAYBJCCX-QGZVFWFLSA-N 2 2 412.386 4.151 20 0 HIADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000520974861 928897642 /nfs/dbraw/zinc/89/76/42/928897642.db2.gz SUKLCECAYBJCCX-QGZVFWFLSA-N 2 2 412.386 4.151 20 0 HIADLP Cc1ccc([C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)[NH+](C)C)cc1 ZINC000521463267 929233173 /nfs/dbraw/zinc/23/31/73/929233173.db2.gz IKOYODMOWQTFKZ-REHUZNOOSA-N 2 2 424.589 4.029 20 0 HIADLP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000521635122 929336913 /nfs/dbraw/zinc/33/69/13/929336913.db2.gz VQBZGKDUTSOEHW-NRFANRHFSA-N 2 2 419.491 4.089 20 0 HIADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000521834191 929485897 /nfs/dbraw/zinc/48/58/97/929485897.db2.gz ZLKUOTDRRJQRPU-UHFFFAOYSA-N 2 2 407.352 4.300 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000530711298 930804016 /nfs/dbraw/zinc/80/40/16/930804016.db2.gz LXBDKULVKNAVEI-NSHDSACASA-N 2 2 400.832 4.289 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000531299389 931007596 /nfs/dbraw/zinc/00/75/96/931007596.db2.gz HOZQJJWWTZELMS-IFMALSPDSA-N 2 2 402.542 4.306 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000531299389 931007603 /nfs/dbraw/zinc/00/76/03/931007603.db2.gz HOZQJJWWTZELMS-IFMALSPDSA-N 2 2 402.542 4.306 20 0 HIADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCOCC1 ZINC000531685755 931152055 /nfs/dbraw/zinc/15/20/55/931152055.db2.gz WJDMGKRRZSMJGZ-OAQYLSRUSA-N 2 2 413.528 4.012 20 0 HIADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000531758821 931185398 /nfs/dbraw/zinc/18/53/98/931185398.db2.gz PLPFLOQENRCEFU-WOJBJXKFSA-N 2 2 411.571 4.414 20 0 HIADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000531950418 931259993 /nfs/dbraw/zinc/25/99/93/931259993.db2.gz KPFPPVYOTWSTIS-MRXNPFEDSA-N 2 2 414.912 4.192 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000531959357 931265636 /nfs/dbraw/zinc/26/56/36/931265636.db2.gz YTQBTUWUKDTGMZ-RTBURBONSA-N 3 2 421.564 4.483 20 0 HIADLP CN(c1ccccc1C[NH2+]Cc1nnc(-c2ccccc2)s1)C1CC[NH+](C)CC1 ZINC000532358769 931407668 /nfs/dbraw/zinc/40/76/68/931407668.db2.gz LJIYRJKPXAPBOT-UHFFFAOYSA-N 2 2 407.587 4.025 20 0 HIADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000532465084 931446512 /nfs/dbraw/zinc/44/65/12/931446512.db2.gz DJYDEXRQXQWRFD-HNNXBMFYSA-N 2 2 418.419 4.278 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000532468713 931449679 /nfs/dbraw/zinc/44/96/79/931449679.db2.gz HKZPLWVLFKSHSJ-QGZVFWFLSA-N 2 2 408.464 4.267 20 0 HIADLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000532497098 931462094 /nfs/dbraw/zinc/46/20/94/931462094.db2.gz CINIPWCHLUZLNV-UGKGYDQZSA-N 2 2 406.599 4.449 20 0 HIADLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000532537874 931514856 /nfs/dbraw/zinc/51/48/56/931514856.db2.gz SLJVIHLJMWVQFW-UHFFFAOYSA-N 2 2 416.791 4.093 20 0 HIADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000532537874 931514863 /nfs/dbraw/zinc/51/48/63/931514863.db2.gz SLJVIHLJMWVQFW-UHFFFAOYSA-N 2 2 416.791 4.093 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000532989361 931728734 /nfs/dbraw/zinc/72/87/34/931728734.db2.gz TUMPNYJIJASYCR-ZFWWWQNUSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000532989361 931728738 /nfs/dbraw/zinc/72/87/38/931728738.db2.gz TUMPNYJIJASYCR-ZFWWWQNUSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532989361 931728742 /nfs/dbraw/zinc/72/87/42/931728742.db2.gz TUMPNYJIJASYCR-ZFWWWQNUSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532989361 931728746 /nfs/dbraw/zinc/72/87/46/931728746.db2.gz TUMPNYJIJASYCR-ZFWWWQNUSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000532989358 931729047 /nfs/dbraw/zinc/72/90/47/931729047.db2.gz TUMPNYJIJASYCR-DZGCQCFKSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000532989358 931729050 /nfs/dbraw/zinc/72/90/50/931729050.db2.gz TUMPNYJIJASYCR-DZGCQCFKSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532989358 931729053 /nfs/dbraw/zinc/72/90/53/931729053.db2.gz TUMPNYJIJASYCR-DZGCQCFKSA-N 2 2 423.351 4.287 20 0 HIADLP CCOC(=O)c1oc2ccc(Br)cc2c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532989358 931729057 /nfs/dbraw/zinc/72/90/57/931729057.db2.gz TUMPNYJIJASYCR-DZGCQCFKSA-N 2 2 423.351 4.287 20 0 HIADLP CC[N@H+](Cc1cccc(C(=O)N(C)C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533074496 931764744 /nfs/dbraw/zinc/76/47/44/931764744.db2.gz SKIVFEQENPJMCW-UHFFFAOYSA-N 2 2 423.605 4.101 20 0 HIADLP CC[N@@H+](Cc1cccc(C(=O)N(C)C)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533074496 931764745 /nfs/dbraw/zinc/76/47/45/931764745.db2.gz SKIVFEQENPJMCW-UHFFFAOYSA-N 2 2 423.605 4.101 20 0 HIADLP CCCOc1c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cccc1OCC ZINC000533187462 931804855 /nfs/dbraw/zinc/80/48/55/931804855.db2.gz BDYKSZITLVJJDC-UHFFFAOYSA-N 2 2 412.578 4.412 20 0 HIADLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 ZINC000533271674 931824777 /nfs/dbraw/zinc/82/47/77/931824777.db2.gz MBQIKZGMPINHDT-UHFFFAOYSA-N 2 2 422.545 4.079 20 0 HIADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 ZINC000533271674 931824778 /nfs/dbraw/zinc/82/47/78/931824778.db2.gz MBQIKZGMPINHDT-UHFFFAOYSA-N 2 2 422.545 4.079 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000533275876 931825358 /nfs/dbraw/zinc/82/53/58/931825358.db2.gz GNMFDJKIXZNQNL-UHFFFAOYSA-N 2 2 403.929 4.262 20 0 HIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000533275876 931825361 /nfs/dbraw/zinc/82/53/61/931825361.db2.gz GNMFDJKIXZNQNL-UHFFFAOYSA-N 2 2 403.929 4.262 20 0 HIADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000533290002 931828857 /nfs/dbraw/zinc/82/88/57/931828857.db2.gz KNHCAJRMFITOIY-LADGPHEKSA-N 2 2 413.606 4.089 20 0 HIADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000533290002 931828859 /nfs/dbraw/zinc/82/88/59/931828859.db2.gz KNHCAJRMFITOIY-LADGPHEKSA-N 2 2 413.606 4.089 20 0 HIADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000533444373 931870997 /nfs/dbraw/zinc/87/09/97/931870997.db2.gz UABVTTIBRACSCE-INIZCTEOSA-N 2 2 405.384 4.297 20 0 HIADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000533444373 931871000 /nfs/dbraw/zinc/87/10/00/931871000.db2.gz UABVTTIBRACSCE-INIZCTEOSA-N 2 2 405.384 4.297 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccc(C)cc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532912 931896229 /nfs/dbraw/zinc/89/62/29/931896229.db2.gz FKTDDJBNYUNXFQ-UHFFFAOYSA-N 2 2 423.605 4.455 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532912 931896233 /nfs/dbraw/zinc/89/62/33/931896233.db2.gz FKTDDJBNYUNXFQ-UHFFFAOYSA-N 2 2 423.605 4.455 20 0 HIADLP CN(C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648611 931944232 /nfs/dbraw/zinc/94/42/32/931944232.db2.gz LQRXERGWMWJCIC-UXHICEINSA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1cc(Cl)ccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648611 931944239 /nfs/dbraw/zinc/94/42/39/931944239.db2.gz LQRXERGWMWJCIC-UXHICEINSA-N 2 2 412.405 4.403 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000533649699 931945428 /nfs/dbraw/zinc/94/54/28/931945428.db2.gz RPLJKCPUMBHISJ-HSQYWUDLSA-N 2 2 406.014 4.239 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000533649699 931945431 /nfs/dbraw/zinc/94/54/31/931945431.db2.gz RPLJKCPUMBHISJ-HSQYWUDLSA-N 2 2 406.014 4.239 20 0 HIADLP CN(C(=O)C1CC(c2cccc(F)c2)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533649508 931946022 /nfs/dbraw/zinc/94/60/22/931946022.db2.gz NYPBUEJZNHJGPJ-KBTIEJEYSA-N 2 2 415.597 4.115 20 0 HIADLP CN(C(=O)C1CC(c2cccc(F)c2)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533649508 931946027 /nfs/dbraw/zinc/94/60/27/931946027.db2.gz NYPBUEJZNHJGPJ-KBTIEJEYSA-N 2 2 415.597 4.115 20 0 HIADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@H+](C)Cc1ccccc1 ZINC000533881794 932078488 /nfs/dbraw/zinc/07/84/88/932078488.db2.gz NWGRMRCUJZQSAG-LJQANCHMSA-N 2 2 415.541 4.244 20 0 HIADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@@H+](C)Cc1ccccc1 ZINC000533881794 932078496 /nfs/dbraw/zinc/07/84/96/932078496.db2.gz NWGRMRCUJZQSAG-LJQANCHMSA-N 2 2 415.541 4.244 20 0 HIADLP C[NH+](C)Cc1ccc(C[NH2+][C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1F ZINC000534212926 932335307 /nfs/dbraw/zinc/33/53/07/932335307.db2.gz TVEZZRWFGOZQMQ-DEOSSOPVSA-N 2 2 405.517 4.035 20 0 HIADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)cc1F ZINC000534242042 932360492 /nfs/dbraw/zinc/36/04/92/932360492.db2.gz XAQCQDYGMHVNPP-UHFFFAOYSA-N 2 2 417.326 4.330 20 0 HIADLP Cc1ccc2c(CCC(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC000534357977 932392017 /nfs/dbraw/zinc/39/20/17/932392017.db2.gz DSKPWUFUFHAYDE-RPBOFIJWSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1ccc2c(CCC(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC000534357977 932392020 /nfs/dbraw/zinc/39/20/20/932392020.db2.gz DSKPWUFUFHAYDE-RPBOFIJWSA-N 2 2 424.633 4.205 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000534358087 932392325 /nfs/dbraw/zinc/39/23/25/932392325.db2.gz JMQVUFBJSCYFEW-NLSFWIRASA-N 2 2 421.576 4.254 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000534358087 932392327 /nfs/dbraw/zinc/39/23/27/932392327.db2.gz JMQVUFBJSCYFEW-NLSFWIRASA-N 2 2 421.576 4.254 20 0 HIADLP Cc1ccc2nc(C)c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000534361475 932395428 /nfs/dbraw/zinc/39/54/28/932395428.db2.gz ZRMCFBZHPIHTAR-LOSJGSFVSA-N 2 2 422.617 4.261 20 0 HIADLP Cc1ccc2nc(C)c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1 ZINC000534361475 932395430 /nfs/dbraw/zinc/39/54/30/932395430.db2.gz ZRMCFBZHPIHTAR-LOSJGSFVSA-N 2 2 422.617 4.261 20 0 HIADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000534599247 932585886 /nfs/dbraw/zinc/58/58/86/932585886.db2.gz WWVKLZHHQIIYGE-SFHVURJKSA-N 2 2 407.562 4.234 20 0 HIADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000534599247 932585898 /nfs/dbraw/zinc/58/58/98/932585898.db2.gz WWVKLZHHQIIYGE-SFHVURJKSA-N 2 2 407.562 4.234 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000534793189 932773649 /nfs/dbraw/zinc/77/36/49/932773649.db2.gz HWVNXTLXXCXCPL-WQTXXOFMSA-N 2 2 405.369 4.453 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000534793189 932773651 /nfs/dbraw/zinc/77/36/51/932773651.db2.gz HWVNXTLXXCXCPL-WQTXXOFMSA-N 2 2 405.369 4.453 20 0 HIADLP CSc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534932050 932844413 /nfs/dbraw/zinc/84/44/13/932844413.db2.gz KSLHPJCNCAEDAO-NHCUHLMSSA-N 2 2 404.624 4.209 20 0 HIADLP CSc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000534932050 932844417 /nfs/dbraw/zinc/84/44/17/932844417.db2.gz KSLHPJCNCAEDAO-NHCUHLMSSA-N 2 2 404.624 4.209 20 0 HIADLP Cc1cc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c(C)c1 ZINC000535096353 932911538 /nfs/dbraw/zinc/91/15/38/932911538.db2.gz SOBWSDUUNJSQCU-RPWUZVMVSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1cc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c(C)c1 ZINC000535096353 932911546 /nfs/dbraw/zinc/91/15/46/932911546.db2.gz SOBWSDUUNJSQCU-RPWUZVMVSA-N 2 2 410.606 4.194 20 0 HIADLP CCCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000535097635 932912393 /nfs/dbraw/zinc/91/23/93/932912393.db2.gz XGFNWPZHVKPKDJ-RTWAWAEBSA-N 2 2 405.652 4.418 20 0 HIADLP CCCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)sc1C ZINC000535097635 932912403 /nfs/dbraw/zinc/91/24/03/932912403.db2.gz XGFNWPZHVKPKDJ-RTWAWAEBSA-N 2 2 405.652 4.418 20 0 HIADLP CN(C(=O)N[C@@H](c1cccs1)C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535110464 932927897 /nfs/dbraw/zinc/92/78/97/932927897.db2.gz HZHININIEAJEKU-RZUBCFFCSA-N 2 2 418.651 4.178 20 0 HIADLP CN(C(=O)N[C@@H](c1cccs1)C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535110464 932927904 /nfs/dbraw/zinc/92/79/04/932927904.db2.gz HZHININIEAJEKU-RZUBCFFCSA-N 2 2 418.651 4.178 20 0 HIADLP C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535203547 933011736 /nfs/dbraw/zinc/01/17/36/933011736.db2.gz XOZZUFKVDDUFPS-YFXJRYMSSA-N 2 2 420.041 4.314 20 0 HIADLP C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535203547 933011743 /nfs/dbraw/zinc/01/17/43/933011743.db2.gz XOZZUFKVDDUFPS-YFXJRYMSSA-N 2 2 420.041 4.314 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)NC1CC[NH+](C2CCCC2)CC1 ZINC000535326991 933074743 /nfs/dbraw/zinc/07/47/43/933074743.db2.gz MBIJPIQRPTZQDU-UHFFFAOYSA-N 2 2 405.546 4.130 20 0 HIADLP CC(C)c1ccc([C@@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000535338490 933081312 /nfs/dbraw/zinc/08/13/12/933081312.db2.gz XAPVIFVYCDQOSK-DEOSSOPVSA-N 2 2 412.622 4.215 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535655709 933298623 /nfs/dbraw/zinc/29/86/23/933298623.db2.gz QJGQTMFQQXPQSU-LEWJYISDSA-N 2 2 420.573 4.025 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000535655709 933298645 /nfs/dbraw/zinc/29/86/45/933298645.db2.gz QJGQTMFQQXPQSU-LEWJYISDSA-N 2 2 420.573 4.025 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000535810264 933405401 /nfs/dbraw/zinc/40/54/01/933405401.db2.gz AIQWTJYNNACJLX-DYESRHJHSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000535810264 933405406 /nfs/dbraw/zinc/40/54/06/933405406.db2.gz AIQWTJYNNACJLX-DYESRHJHSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000535810264 933405417 /nfs/dbraw/zinc/40/54/17/933405417.db2.gz AIQWTJYNNACJLX-DYESRHJHSA-N 2 2 417.395 4.168 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000535810264 933405424 /nfs/dbraw/zinc/40/54/24/933405424.db2.gz AIQWTJYNNACJLX-DYESRHJHSA-N 2 2 417.395 4.168 20 0 HIADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000537648923 938346650 /nfs/dbraw/zinc/34/66/50/938346650.db2.gz NHCWIPIJVPTYBF-QGZVFWFLSA-N 2 2 405.384 4.107 20 0 HIADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C1 ZINC000537648923 938346652 /nfs/dbraw/zinc/34/66/52/938346652.db2.gz NHCWIPIJVPTYBF-QGZVFWFLSA-N 2 2 405.384 4.107 20 0 HIADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1nc2c(s1)CCCC2 ZINC000537885025 938399563 /nfs/dbraw/zinc/39/95/63/938399563.db2.gz XNRLZUAJMGARGU-HZPDHXFCSA-N 2 2 402.583 4.325 20 0 HIADLP CCC[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000538333349 938595531 /nfs/dbraw/zinc/59/55/31/938595531.db2.gz ZNMMYALEOXGDFB-DEOSSOPVSA-N 2 2 402.542 4.058 20 0 HIADLP CCC[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000538333349 938595532 /nfs/dbraw/zinc/59/55/32/938595532.db2.gz ZNMMYALEOXGDFB-DEOSSOPVSA-N 2 2 402.542 4.058 20 0 HIADLP CCCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538338841 938596888 /nfs/dbraw/zinc/59/68/88/938596888.db2.gz FXNKBWZFTXXIJY-GOTSBHOMSA-N 2 2 400.611 4.440 20 0 HIADLP CCCc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538338841 938596891 /nfs/dbraw/zinc/59/68/91/938596891.db2.gz FXNKBWZFTXXIJY-GOTSBHOMSA-N 2 2 400.611 4.440 20 0 HIADLP Fc1ccc(-c2ccc(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)o2)cc1 ZINC000538388532 938609042 /nfs/dbraw/zinc/60/90/42/938609042.db2.gz HHTCYIUCNQKOML-UHFFFAOYSA-N 2 2 410.489 4.087 20 0 HIADLP O=C1[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538465527 938628620 /nfs/dbraw/zinc/62/86/20/938628620.db2.gz DBRUOOUVKSMFTQ-RTWAWAEBSA-N 2 2 423.523 4.147 20 0 HIADLP O=C1[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538465527 938628623 /nfs/dbraw/zinc/62/86/23/938628623.db2.gz DBRUOOUVKSMFTQ-RTWAWAEBSA-N 2 2 423.523 4.147 20 0 HIADLP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720367 938690266 /nfs/dbraw/zinc/69/02/66/938690266.db2.gz VUBLNRDFLXNOGJ-GXTWGEPZSA-N 2 2 421.326 4.364 20 0 HIADLP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720367 938690267 /nfs/dbraw/zinc/69/02/67/938690267.db2.gz VUBLNRDFLXNOGJ-GXTWGEPZSA-N 2 2 421.326 4.364 20 0 HIADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720367 938690268 /nfs/dbraw/zinc/69/02/68/938690268.db2.gz VUBLNRDFLXNOGJ-GXTWGEPZSA-N 2 2 421.326 4.364 20 0 HIADLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000538720367 938690270 /nfs/dbraw/zinc/69/02/70/938690270.db2.gz VUBLNRDFLXNOGJ-GXTWGEPZSA-N 2 2 421.326 4.364 20 0 HIADLP Clc1cc(Br)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000538725416 938692826 /nfs/dbraw/zinc/69/28/26/938692826.db2.gz UMOUSGNLESZVNL-UHFFFAOYSA-N 2 2 401.776 4.179 20 0 HIADLP CC[N@H+](Cc1cc(OC)ccc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538730087 938694437 /nfs/dbraw/zinc/69/44/37/938694437.db2.gz FDXDQASRJZUEOW-UHFFFAOYSA-N 2 2 412.578 4.417 20 0 HIADLP CC[N@@H+](Cc1cc(OC)ccc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000538730087 938694440 /nfs/dbraw/zinc/69/44/40/938694440.db2.gz FDXDQASRJZUEOW-UHFFFAOYSA-N 2 2 412.578 4.417 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538795614 938714215 /nfs/dbraw/zinc/71/42/15/938714215.db2.gz LSQYBTBXCJUQKA-NTKDMRAZSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000538795614 938714218 /nfs/dbraw/zinc/71/42/18/938714218.db2.gz LSQYBTBXCJUQKA-NTKDMRAZSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000538795614 938714223 /nfs/dbraw/zinc/71/42/23/938714223.db2.gz LSQYBTBXCJUQKA-NTKDMRAZSA-N 2 2 407.558 4.118 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000538795614 938714227 /nfs/dbraw/zinc/71/42/27/938714227.db2.gz LSQYBTBXCJUQKA-NTKDMRAZSA-N 2 2 407.558 4.118 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c(C)c1 ZINC000539050226 938783075 /nfs/dbraw/zinc/78/30/75/938783075.db2.gz HLANKYXSOHJUAP-LAUBAEHRSA-N 2 2 415.534 4.135 20 0 HIADLP CC[N@H+](CCC1CC[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1)CC(C)C ZINC000539098150 938802484 /nfs/dbraw/zinc/80/24/84/938802484.db2.gz HNBQUSVHNXYEQK-UHFFFAOYSA-N 2 2 416.635 4.466 20 0 HIADLP CC[N@@H+](CCC1CC[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1)CC(C)C ZINC000539098150 938802485 /nfs/dbraw/zinc/80/24/85/938802485.db2.gz HNBQUSVHNXYEQK-UHFFFAOYSA-N 2 2 416.635 4.466 20 0 HIADLP CC[N@H+](CCC1CC[NH+](Cc2csc(N(C(C)=O)C3CC3)n2)CC1)CC(C)C ZINC000539099395 938803094 /nfs/dbraw/zinc/80/30/94/938803094.db2.gz CXBADNISANIFIO-UHFFFAOYSA-N 2 2 406.640 4.238 20 0 HIADLP CC[N@@H+](CCC1CC[NH+](Cc2csc(N(C(C)=O)C3CC3)n2)CC1)CC(C)C ZINC000539099395 938803096 /nfs/dbraw/zinc/80/30/96/938803096.db2.gz CXBADNISANIFIO-UHFFFAOYSA-N 2 2 406.640 4.238 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000539394760 938853900 /nfs/dbraw/zinc/85/39/00/938853900.db2.gz ZDWDHAXQGIAQNM-ZODMCCGTSA-N 3 2 419.613 4.475 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000539394760 938853901 /nfs/dbraw/zinc/85/39/01/938853901.db2.gz ZDWDHAXQGIAQNM-ZODMCCGTSA-N 3 2 419.613 4.475 20 0 HIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)c(Br)c1 ZINC000539658280 938895540 /nfs/dbraw/zinc/89/55/40/938895540.db2.gz ULMUTRFJVZHTJR-BBRMVZONSA-N 2 2 407.331 4.297 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4ccc(OC(F)(F)F)cc43)[nH+]c2)C1 ZINC000539661616 938896382 /nfs/dbraw/zinc/89/63/82/938896382.db2.gz YYSVQQMSAACUHJ-VQIMIIECSA-N 2 2 406.452 4.220 20 0 HIADLP CC[N@@H+](Cc1ccc(OC)cc1OC(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539817933 938941752 /nfs/dbraw/zinc/94/17/52/938941752.db2.gz WXYAJLUGEPEVHL-UHFFFAOYSA-N 2 2 405.489 4.430 20 0 HIADLP CC[N@H+](Cc1ccc(OC)cc1OC(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539817933 938941757 /nfs/dbraw/zinc/94/17/57/938941757.db2.gz WXYAJLUGEPEVHL-UHFFFAOYSA-N 2 2 405.489 4.430 20 0 HIADLP COc1ccccc1[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000540147410 939091584 /nfs/dbraw/zinc/09/15/84/939091584.db2.gz RDXYJOOWKBJQDL-DFBJGRDBSA-N 2 2 405.542 4.471 20 0 HIADLP COc1ccccc1[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000540147409 939091614 /nfs/dbraw/zinc/09/16/14/939091614.db2.gz RDXYJOOWKBJQDL-CLOONOSVSA-N 2 2 405.542 4.471 20 0 HIADLP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540192731 939117353 /nfs/dbraw/zinc/11/73/53/939117353.db2.gz OJJDXTRBBKHXEW-JOCHJYFZSA-N 3 2 403.574 4.125 20 0 HIADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)C[C@H](C)O1 ZINC000540245185 939164046 /nfs/dbraw/zinc/16/40/46/939164046.db2.gz NDRUHGOJQJCIGG-HOTGVXAUSA-N 2 2 401.378 4.084 20 0 HIADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)C[C@H](C)O1 ZINC000540247735 939164682 /nfs/dbraw/zinc/16/46/82/939164682.db2.gz PBBGIONRFLWVLN-KDURUIRLSA-N 2 2 421.651 4.281 20 0 HIADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)C[C@H](C)O1 ZINC000540247735 939164691 /nfs/dbraw/zinc/16/46/91/939164691.db2.gz PBBGIONRFLWVLN-KDURUIRLSA-N 2 2 421.651 4.281 20 0 HIADLP C[C@@H]1C[C@@H]1[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(Cl)cc1 ZINC000540519135 939285361 /nfs/dbraw/zinc/28/53/61/939285361.db2.gz BDWUPODCHQNRFI-HEFCMCLBSA-N 2 2 418.994 4.318 20 0 HIADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cc2ccccc2o1 ZINC000541202890 939485418 /nfs/dbraw/zinc/48/54/18/939485418.db2.gz PHYFJTGXOMNDOU-RTBURBONSA-N 2 2 408.546 4.387 20 0 HIADLP O=[S@](CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cc(Cl)ccc1Cl ZINC000541204010 939485493 /nfs/dbraw/zinc/48/54/93/939485493.db2.gz AUPYUKALGGRFCO-AREMUKBSSA-N 2 2 414.402 4.490 20 0 HIADLP Brc1ccccc1N1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000541386859 939503018 /nfs/dbraw/zinc/50/30/18/939503018.db2.gz MFCJUVOPHZJEQA-AWEZNQCLSA-N 2 2 403.349 4.065 20 0 HIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541395234 939504654 /nfs/dbraw/zinc/50/46/54/939504654.db2.gz AJDMVHMIDWEMCD-PTUXOGIPSA-N 2 2 420.601 4.445 20 0 HIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541395234 939504656 /nfs/dbraw/zinc/50/46/56/939504656.db2.gz AJDMVHMIDWEMCD-PTUXOGIPSA-N 2 2 420.601 4.445 20 0 HIADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541398326 939505313 /nfs/dbraw/zinc/50/53/13/939505313.db2.gz IAWSRXFABSRCMJ-QFIPXVFZSA-N 2 2 420.601 4.058 20 0 HIADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541398326 939505315 /nfs/dbraw/zinc/50/53/15/939505315.db2.gz IAWSRXFABSRCMJ-QFIPXVFZSA-N 2 2 420.601 4.058 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000541744105 939618965 /nfs/dbraw/zinc/61/89/65/939618965.db2.gz BXEBEJKYGYGINM-ZEQRLZLVSA-N 2 2 423.582 4.115 20 0 HIADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542328824 939801428 /nfs/dbraw/zinc/80/14/28/939801428.db2.gz MJIGJKPXGFDTGT-DHIUTWEWSA-N 2 2 420.601 4.274 20 0 HIADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542328824 939801429 /nfs/dbraw/zinc/80/14/29/939801429.db2.gz MJIGJKPXGFDTGT-DHIUTWEWSA-N 2 2 420.601 4.274 20 0 HIADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000542445184 939824532 /nfs/dbraw/zinc/82/45/32/939824532.db2.gz UVTKBTIXJBSKPG-QHCPKHFHSA-N 2 2 422.617 4.392 20 0 HIADLP CC1(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000542502320 939833566 /nfs/dbraw/zinc/83/35/66/939833566.db2.gz VKPRNMOTBXRZCU-JYRVWZFOSA-N 2 2 417.597 4.146 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530387 939838296 /nfs/dbraw/zinc/83/82/96/939838296.db2.gz FECYKIVDEBDYGD-DOTOQJQBSA-N 2 2 416.566 4.130 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530387 939838297 /nfs/dbraw/zinc/83/82/97/939838297.db2.gz FECYKIVDEBDYGD-DOTOQJQBSA-N 2 2 416.566 4.130 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000542660119 939852168 /nfs/dbraw/zinc/85/21/68/939852168.db2.gz CZUHIAQXSWHVLY-PKTZIBPZSA-N 2 2 409.555 4.055 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+](C)C)c2)cc[nH+]1 ZINC000542662403 939852378 /nfs/dbraw/zinc/85/23/78/939852378.db2.gz WQQQIOUJMDYVEH-NRFANRHFSA-N 2 2 423.948 4.083 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+](C)C)c2)cc[nH+]1 ZINC000542662406 939852487 /nfs/dbraw/zinc/85/24/87/939852487.db2.gz WQQQIOUJMDYVEH-OAQYLSRUSA-N 2 2 423.948 4.083 20 0 HIADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000543040410 939903745 /nfs/dbraw/zinc/90/37/45/939903745.db2.gz JDGOERPZZRTNKO-NRFANRHFSA-N 2 2 423.605 4.311 20 0 HIADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)NCc1ccccc1OC1CCCC1 ZINC000543062378 939915799 /nfs/dbraw/zinc/91/57/99/939915799.db2.gz VXBIBLKHKCHQNS-UHFFFAOYSA-N 2 2 424.589 4.013 20 0 HIADLP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543277441 940015879 /nfs/dbraw/zinc/01/58/79/940015879.db2.gz GGTMFQFAHDBLEU-IBGZPJMESA-N 2 2 414.619 4.145 20 0 HIADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(Br)c1OC ZINC000543459914 940070339 /nfs/dbraw/zinc/07/03/39/940070339.db2.gz GSSXXCKKQPYJMB-GOEBONIOSA-N 2 2 411.384 4.209 20 0 HIADLP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Br)c1OC ZINC000543459914 940070340 /nfs/dbraw/zinc/07/03/40/940070340.db2.gz GSSXXCKKQPYJMB-GOEBONIOSA-N 2 2 411.384 4.209 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)c2)cc[nH+]1 ZINC000543588039 940121195 /nfs/dbraw/zinc/12/11/95/940121195.db2.gz ONMWVKKREGKQQN-SIKLNZKXSA-N 2 2 421.589 4.124 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)c2)cc[nH+]1 ZINC000543588039 940121203 /nfs/dbraw/zinc/12/12/03/940121203.db2.gz ONMWVKKREGKQQN-SIKLNZKXSA-N 2 2 421.589 4.124 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000543653835 940151179 /nfs/dbraw/zinc/15/11/79/940151179.db2.gz UWRQMLYFTCAQDV-KRWDZBQOSA-N 2 2 421.006 4.408 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000543653835 940151181 /nfs/dbraw/zinc/15/11/81/940151181.db2.gz UWRQMLYFTCAQDV-KRWDZBQOSA-N 2 2 421.006 4.408 20 0 HIADLP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543990062 940286263 /nfs/dbraw/zinc/28/62/63/940286263.db2.gz MZQRBQFVUYFJKI-INIZCTEOSA-N 2 2 408.468 4.421 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccc(F)cc1 ZINC000544196013 940350197 /nfs/dbraw/zinc/35/01/97/940350197.db2.gz VMBWZQNRVSVZTR-SIKLNZKXSA-N 2 2 412.553 4.051 20 0 HIADLP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000544197807 940351440 /nfs/dbraw/zinc/35/14/40/940351440.db2.gz NWSJZBCLHWGOBE-JOCHJYFZSA-N 2 2 412.622 4.218 20 0 HIADLP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000544224927 940360292 /nfs/dbraw/zinc/36/02/92/940360292.db2.gz NIAGNQBPKXVCMO-SIKLNZKXSA-N 2 2 408.590 4.130 20 0 HIADLP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000544224927 940360294 /nfs/dbraw/zinc/36/02/94/940360294.db2.gz NIAGNQBPKXVCMO-SIKLNZKXSA-N 2 2 408.590 4.130 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3cccnc3)c3ccc(F)cc3F)[nH+]c2)C1 ZINC000544384584 940407648 /nfs/dbraw/zinc/40/76/48/940407648.db2.gz XOIHZDLCJNLUMF-CVDCTZTESA-N 2 2 409.484 4.097 20 0 HIADLP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nc(C)cs1 ZINC000544452746 940436931 /nfs/dbraw/zinc/43/69/31/940436931.db2.gz YGNDTCDZCOMPQT-MOPGFXCFSA-N 2 2 421.010 4.099 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)c2)cc[nH+]1 ZINC000544487766 940453641 /nfs/dbraw/zinc/45/36/41/940453641.db2.gz PHEYCCQXBDOZBQ-JOCHJYFZSA-N 2 2 421.589 4.125 20 0 HIADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](C4CCCCC4)CC3)c2C1 ZINC000544759591 940511360 /nfs/dbraw/zinc/51/13/60/940511360.db2.gz LPYRLPPIBGJKRI-UHFFFAOYSA-N 2 2 420.601 4.140 20 0 HIADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](C4CCCCC4)CC3)c2C1 ZINC000544759591 940511361 /nfs/dbraw/zinc/51/13/61/940511361.db2.gz LPYRLPPIBGJKRI-UHFFFAOYSA-N 2 2 420.601 4.140 20 0 HIADLP C[C@@H]([NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000545157727 940552148 /nfs/dbraw/zinc/55/21/48/940552148.db2.gz LZOBMAOUHSMWRB-HXOBKFHXSA-N 2 2 412.965 4.454 20 0 HIADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)nc[nH+]1 ZINC000545458062 940570845 /nfs/dbraw/zinc/57/08/45/940570845.db2.gz RRMLSVDLVOTCBN-SFTDATJTSA-N 2 2 422.964 4.109 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000545916875 940657896 /nfs/dbraw/zinc/65/78/96/940657896.db2.gz LFGUJNRTVUIVAF-KRWDZBQOSA-N 2 2 415.603 4.495 20 0 HIADLP CN(C(=O)Nc1nc(C(C)(C)C)cs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549537468 941198532 /nfs/dbraw/zinc/19/85/32/941198532.db2.gz RVVXFBJQKNEAIV-MSOLQXFVSA-N 2 2 421.655 4.242 20 0 HIADLP CN(C(=O)Nc1nc(C(C)(C)C)cs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549537468 941198533 /nfs/dbraw/zinc/19/85/33/941198533.db2.gz RVVXFBJQKNEAIV-MSOLQXFVSA-N 2 2 421.655 4.242 20 0 HIADLP CN(C(=O)Nc1nc(C(C)(C)C)cs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549537473 941198544 /nfs/dbraw/zinc/19/85/44/941198544.db2.gz RVVXFBJQKNEAIV-QZTJIDSGSA-N 2 2 421.655 4.242 20 0 HIADLP CN(C(=O)Nc1nc(C(C)(C)C)cs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549537473 941198545 /nfs/dbraw/zinc/19/85/45/941198545.db2.gz RVVXFBJQKNEAIV-QZTJIDSGSA-N 2 2 421.655 4.242 20 0 HIADLP CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000549944550 941244689 /nfs/dbraw/zinc/24/46/89/941244689.db2.gz GTYDIHJFDMSNOT-WSWWRLHASA-N 2 2 424.699 4.029 20 0 HIADLP CCS[C@@H]1CCC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000549944550 941244694 /nfs/dbraw/zinc/24/46/94/941244694.db2.gz GTYDIHJFDMSNOT-WSWWRLHASA-N 2 2 424.699 4.029 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000551592860 941508850 /nfs/dbraw/zinc/50/88/50/941508850.db2.gz FTERICAHMXLGNA-OAHLLOKOSA-N 2 2 421.326 4.001 20 0 HIADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551704589 941529997 /nfs/dbraw/zinc/52/99/97/941529997.db2.gz AURZEKIDZGCUAE-RPWUZVMVSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551704589 941530002 /nfs/dbraw/zinc/53/00/02/941530002.db2.gz AURZEKIDZGCUAE-RPWUZVMVSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551704589 941530008 /nfs/dbraw/zinc/53/00/08/941530008.db2.gz AURZEKIDZGCUAE-RPWUZVMVSA-N 2 2 418.585 4.100 20 0 HIADLP Cc1nc2ccccc2n1C[C@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551704589 941530014 /nfs/dbraw/zinc/53/00/14/941530014.db2.gz AURZEKIDZGCUAE-RPWUZVMVSA-N 2 2 418.585 4.100 20 0 HIADLP COc1ccc([C@@H](Cc2ccncc2)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000552067139 941578464 /nfs/dbraw/zinc/57/84/64/941578464.db2.gz AAAHYABIYQFZJM-LADGPHEKSA-N 2 2 417.557 4.021 20 0 HIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc3c(c2)OCCO3)cc1 ZINC000552859078 941790207 /nfs/dbraw/zinc/79/02/07/941790207.db2.gz UYVZTQNHWMWDEG-UHFFFAOYSA-N 2 2 407.514 4.146 20 0 HIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc3c(c2)OCCO3)cc1 ZINC000552859078 941790212 /nfs/dbraw/zinc/79/02/12/941790212.db2.gz UYVZTQNHWMWDEG-UHFFFAOYSA-N 2 2 407.514 4.146 20 0 HIADLP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000555003516 942351309 /nfs/dbraw/zinc/35/13/09/942351309.db2.gz ZRMBEQZSNDQXKR-GUYCJALGSA-N 2 2 400.320 4.240 20 0 HIADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000555040589 942367075 /nfs/dbraw/zinc/36/70/75/942367075.db2.gz RRRWLIFWMVAVIH-BVAGGSTKSA-N 2 2 402.538 4.452 20 0 HIADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000555040589 942367081 /nfs/dbraw/zinc/36/70/81/942367081.db2.gz RRRWLIFWMVAVIH-BVAGGSTKSA-N 2 2 402.538 4.452 20 0 HIADLP CCC1(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000555364355 942496349 /nfs/dbraw/zinc/49/63/49/942496349.db2.gz ZOJROBTWXBRHMQ-JTHBVZDNSA-N 2 2 423.605 4.168 20 0 HIADLP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000556261916 942828180 /nfs/dbraw/zinc/82/81/80/942828180.db2.gz VWPBBKNVBKEXNU-MRXNPFEDSA-N 2 2 403.935 4.040 20 0 HIADLP C[C@H](Cn1ccc2ccccc21)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000556936639 942972633 /nfs/dbraw/zinc/97/26/33/942972633.db2.gz AGCKWRFKWZIWAH-ZPZUNKDASA-N 2 2 424.633 4.073 20 0 HIADLP C[C@H](Cn1ccc2ccccc21)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556936639 942972637 /nfs/dbraw/zinc/97/26/37/942972637.db2.gz AGCKWRFKWZIWAH-ZPZUNKDASA-N 2 2 424.633 4.073 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3conc3Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000559245204 943885273 /nfs/dbraw/zinc/88/52/73/943885273.db2.gz VDERHVMRGCBMOE-WOJBJXKFSA-N 2 2 405.542 4.164 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccccc2Br)C[C@@H]1c1ccccc1 ZINC000559829972 944063230 /nfs/dbraw/zinc/06/32/30/944063230.db2.gz AFHPUPCXMQRHSI-DZFGPLHGSA-N 2 2 403.364 4.298 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccccc2Br)C[C@@H]1c1ccccc1 ZINC000559829972 944063237 /nfs/dbraw/zinc/06/32/37/944063237.db2.gz AFHPUPCXMQRHSI-DZFGPLHGSA-N 2 2 403.364 4.298 20 0 HIADLP Cc1ccc(OC(F)F)c(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000560567768 944256626 /nfs/dbraw/zinc/25/66/26/944256626.db2.gz FGKGGUIXSVLTAC-UHFFFAOYSA-N 3 2 409.565 4.225 20 0 HIADLP Cc1ccc(OC(F)F)c(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000560567768 944256639 /nfs/dbraw/zinc/25/66/39/944256639.db2.gz FGKGGUIXSVLTAC-UHFFFAOYSA-N 3 2 409.565 4.225 20 0 HIADLP CCc1ccc2occ(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000560599218 944269941 /nfs/dbraw/zinc/26/99/41/944269941.db2.gz REQUCGDCOFGJRF-GOTSBHOMSA-N 2 2 411.590 4.404 20 0 HIADLP CCc1ccc2occ(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000560599218 944269948 /nfs/dbraw/zinc/26/99/48/944269948.db2.gz REQUCGDCOFGJRF-GOTSBHOMSA-N 2 2 411.590 4.404 20 0 HIADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000561216526 944517227 /nfs/dbraw/zinc/51/72/27/944517227.db2.gz XDSXHNZPNRQISQ-DEOSSOPVSA-N 2 2 416.569 4.099 20 0 HIADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000561216526 944517229 /nfs/dbraw/zinc/51/72/29/944517229.db2.gz XDSXHNZPNRQISQ-DEOSSOPVSA-N 2 2 416.569 4.099 20 0 HIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc3cccc(C)n23)cc1 ZINC000561397690 944579148 /nfs/dbraw/zinc/57/91/48/944579148.db2.gz JNDXVBAXFDSUHU-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc3cccc(C)n23)cc1 ZINC000561397690 944579157 /nfs/dbraw/zinc/57/91/57/944579157.db2.gz JNDXVBAXFDSUHU-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP Cc1ccccc1Nc1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cs1 ZINC000561585339 944690407 /nfs/dbraw/zinc/69/04/07/944690407.db2.gz PSVMMPRLMZXJEG-UHFFFAOYSA-N 2 2 400.592 4.129 20 0 HIADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000561782284 944794923 /nfs/dbraw/zinc/79/49/23/944794923.db2.gz MOFJSYPAPVKGQG-GOSISDBHSA-N 2 2 422.342 4.091 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000562061434 944917527 /nfs/dbraw/zinc/91/75/27/944917527.db2.gz MRKKEMKGKAHEOM-JBACZVJFSA-N 2 2 409.599 4.189 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000562061434 944917531 /nfs/dbraw/zinc/91/75/31/944917531.db2.gz MRKKEMKGKAHEOM-JBACZVJFSA-N 2 2 409.599 4.189 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000562061434 944917534 /nfs/dbraw/zinc/91/75/34/944917534.db2.gz MRKKEMKGKAHEOM-JBACZVJFSA-N 2 2 409.599 4.189 20 0 HIADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000562061434 944917538 /nfs/dbraw/zinc/91/75/38/944917538.db2.gz MRKKEMKGKAHEOM-JBACZVJFSA-N 2 2 409.599 4.189 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC000562061419 944918137 /nfs/dbraw/zinc/91/81/37/944918137.db2.gz MCEOSROYHMXWGU-QTJGBDASSA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC000562061419 944918143 /nfs/dbraw/zinc/91/81/43/944918143.db2.gz MCEOSROYHMXWGU-QTJGBDASSA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC000562061419 944918144 /nfs/dbraw/zinc/91/81/44/944918144.db2.gz MCEOSROYHMXWGU-QTJGBDASSA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC000562061419 944918147 /nfs/dbraw/zinc/91/81/47/944918147.db2.gz MCEOSROYHMXWGU-QTJGBDASSA-N 2 2 405.586 4.393 20 0 HIADLP CC[C@@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)[N@H+](C)Cc1ccccc1 ZINC000565686838 945868275 /nfs/dbraw/zinc/86/82/75/945868275.db2.gz ANYUWBANFUZPML-QFIPXVFZSA-N 2 2 406.530 4.152 20 0 HIADLP CC[C@@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)[N@@H+](C)Cc1ccccc1 ZINC000565686838 945868276 /nfs/dbraw/zinc/86/82/76/945868276.db2.gz ANYUWBANFUZPML-QFIPXVFZSA-N 2 2 406.530 4.152 20 0 HIADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2csc(Cl)c2Cl)CC1 ZINC000567280533 946288457 /nfs/dbraw/zinc/28/84/57/946288457.db2.gz JGHXAMAPPQOYKE-UHFFFAOYSA-N 2 2 406.423 4.115 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(I)cc1 ZINC000571191303 947538738 /nfs/dbraw/zinc/53/87/38/947538738.db2.gz GWTNNJQDSOBNHN-HNNXBMFYSA-N 2 2 417.294 4.387 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)CCC2 ZINC000572609392 947954893 /nfs/dbraw/zinc/95/48/93/947954893.db2.gz OCVKGNGBOZIBCD-CYBMUJFWSA-N 2 2 413.157 4.384 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000572767802 948005785 /nfs/dbraw/zinc/00/57/85/948005785.db2.gz UWHYQXPPHJWPGN-IRXDYDNUSA-N 2 2 401.938 4.153 20 0 HIADLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000573288139 948146020 /nfs/dbraw/zinc/14/60/20/948146020.db2.gz NJKCDNFBCDECSI-OALUTQOASA-N 2 2 406.636 4.000 20 0 HIADLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000573288139 948146024 /nfs/dbraw/zinc/14/60/24/948146024.db2.gz NJKCDNFBCDECSI-OALUTQOASA-N 2 2 406.636 4.000 20 0 HIADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558977 948474449 /nfs/dbraw/zinc/47/44/49/948474449.db2.gz QFNQLYMKCAKHCL-QAPCUYQASA-N 2 2 406.393 4.489 20 0 HIADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558977 948474467 /nfs/dbraw/zinc/47/44/67/948474467.db2.gz QFNQLYMKCAKHCL-QAPCUYQASA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558977 948474473 /nfs/dbraw/zinc/47/44/73/948474473.db2.gz QFNQLYMKCAKHCL-QAPCUYQASA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558977 948474481 /nfs/dbraw/zinc/47/44/81/948474481.db2.gz QFNQLYMKCAKHCL-QAPCUYQASA-N 2 2 406.393 4.489 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000575166602 948616421 /nfs/dbraw/zinc/61/64/21/948616421.db2.gz QKDZKZNPFPPBEC-QNWVGRARSA-N 2 2 423.626 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000575166602 948616431 /nfs/dbraw/zinc/61/64/31/948616431.db2.gz QKDZKZNPFPPBEC-QNWVGRARSA-N 2 2 423.626 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000575166602 948616437 /nfs/dbraw/zinc/61/64/37/948616437.db2.gz QKDZKZNPFPPBEC-QNWVGRARSA-N 2 2 423.626 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000575166602 948616448 /nfs/dbraw/zinc/61/64/48/948616448.db2.gz QKDZKZNPFPPBEC-QNWVGRARSA-N 2 2 423.626 4.038 20 0 HIADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccccc3[nH+]1)CC2 ZINC001164719056 720115594 /nfs/dbraw/zinc/11/55/94/720115594.db2.gz UZEXMSOUNXZRHE-JOCHJYFZSA-N 2 2 416.569 4.446 20 0 HIADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccccc3[nH+]1)CC2 ZINC001164719056 720115596 /nfs/dbraw/zinc/11/55/96/720115596.db2.gz UZEXMSOUNXZRHE-JOCHJYFZSA-N 2 2 416.569 4.446 20 0 HIADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3ccc(C)cc31)CC2 ZINC001164717443 720116757 /nfs/dbraw/zinc/11/67/57/720116757.db2.gz PAEZGTVICMLREX-QHCPKHFHSA-N 2 2 416.569 4.446 20 0 HIADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3ccc(C)cc31)CC2 ZINC001164717443 720116765 /nfs/dbraw/zinc/11/67/65/720116765.db2.gz PAEZGTVICMLREX-QHCPKHFHSA-N 2 2 416.569 4.446 20 0 HIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4cccc(C)c43)C2)C1 ZINC001164780274 721370342 /nfs/dbraw/zinc/37/03/42/721370342.db2.gz FLSORICIBYADBV-VWLOTQADSA-N 2 2 420.557 4.267 20 0 HIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4cccc(C)c43)C2)C1 ZINC001164780274 721370348 /nfs/dbraw/zinc/37/03/48/721370348.db2.gz FLSORICIBYADBV-VWLOTQADSA-N 2 2 420.557 4.267 20 0 HIADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3c(C)cccc31)CC2 ZINC001164787593 721460278 /nfs/dbraw/zinc/46/02/78/721460278.db2.gz ROJNDOMARSRCMS-QFIPXVFZSA-N 2 2 423.601 4.277 20 0 HIADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc3c(C)cccc31)CC2 ZINC001164787593 721460281 /nfs/dbraw/zinc/46/02/81/721460281.db2.gz ROJNDOMARSRCMS-QFIPXVFZSA-N 2 2 423.601 4.277 20 0 HIADLP CCOC(=O)c1c(C)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c1C ZINC001165021631 721816094 /nfs/dbraw/zinc/81/60/94/721816094.db2.gz FKHOGQYHRSYWCG-BVSLBCMMSA-N 2 2 422.573 4.007 20 0 HIADLP CCOC(=O)c1c(C)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]c1C ZINC001165021631 721816096 /nfs/dbraw/zinc/81/60/96/721816096.db2.gz FKHOGQYHRSYWCG-BVSLBCMMSA-N 2 2 422.573 4.007 20 0 HIADLP Cc1cc(O)c(C(C)C)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436632181 861875773 /nfs/dbraw/zinc/87/57/73/861875773.db2.gz VRUNLBBZKKBJMD-XZOQPEGZSA-N 2 2 415.622 4.233 20 0 HIADLP Cc1cc(O)c(C(C)C)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436632181 861875777 /nfs/dbraw/zinc/87/57/77/861875777.db2.gz VRUNLBBZKKBJMD-XZOQPEGZSA-N 2 2 415.622 4.233 20 0 HIADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045817615 848734929 /nfs/dbraw/zinc/73/49/29/848734929.db2.gz DICDMZWDCJKESW-XMMPIXPASA-N 2 2 416.569 4.134 20 0 HIADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045817615 848734937 /nfs/dbraw/zinc/73/49/37/848734937.db2.gz DICDMZWDCJKESW-XMMPIXPASA-N 2 2 416.569 4.134 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)NCc3ccccc3C[N@@H+](C)C(C)C)cn2c1 ZINC000046935792 848963243 /nfs/dbraw/zinc/96/32/43/848963243.db2.gz NCRBXMSIGFSYRC-UHFFFAOYSA-N 2 2 410.587 4.033 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)NCc3ccccc3C[N@H+](C)C(C)C)cn2c1 ZINC000046935792 848963251 /nfs/dbraw/zinc/96/32/51/848963251.db2.gz NCRBXMSIGFSYRC-UHFFFAOYSA-N 2 2 410.587 4.033 20 0 HIADLP CC1CC[NH+](Cc2ccc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)CC1 ZINC000047298485 849021734 /nfs/dbraw/zinc/02/17/34/849021734.db2.gz OPWIPHMIJZALFH-UHFFFAOYSA-N 2 2 402.542 4.093 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000437040851 862230878 /nfs/dbraw/zinc/23/08/78/862230878.db2.gz FQBMWIOQYKXKKG-UHFFFAOYSA-N 2 2 420.601 4.445 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000437040851 862230895 /nfs/dbraw/zinc/23/08/95/862230895.db2.gz FQBMWIOQYKXKKG-UHFFFAOYSA-N 2 2 420.601 4.445 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000071961429 852447000 /nfs/dbraw/zinc/44/70/00/852447000.db2.gz CPAJHNHKZFCNRH-WOJBJXKFSA-N 2 2 402.542 4.280 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000106112629 852755732 /nfs/dbraw/zinc/75/57/32/852755732.db2.gz BTPGBYNSZCGHRE-JOCHJYFZSA-N 2 2 410.949 4.398 20 0 HIADLP Brc1cccc(-c2c[nH]c(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)n2)c1 ZINC000236663677 853909295 /nfs/dbraw/zinc/90/92/95/853909295.db2.gz FRJAAIPDKLLJDO-UHFFFAOYSA-N 2 2 422.330 4.374 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000237146714 853972276 /nfs/dbraw/zinc/97/22/76/853972276.db2.gz MWTGFPNBFBHNKV-INIZCTEOSA-N 2 2 412.921 4.100 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000237147427 853972688 /nfs/dbraw/zinc/97/26/88/853972688.db2.gz TZNFSRDRGOWKTO-INIZCTEOSA-N 2 2 412.921 4.100 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccccc2Br)CC1 ZINC000237236337 853987856 /nfs/dbraw/zinc/98/78/56/853987856.db2.gz NXKZYKZLPLQMAS-UHFFFAOYSA-N 2 2 408.771 4.144 20 0 HIADLP COc1ccc([C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCCCC2)cc1 ZINC000237321672 854006062 /nfs/dbraw/zinc/00/60/62/854006062.db2.gz MBYOWNILQWFVNT-AREMUKBSSA-N 2 2 407.602 4.476 20 0 HIADLP COc1cc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(Br)cc1O ZINC000237324608 854006970 /nfs/dbraw/zinc/00/69/70/854006970.db2.gz VLODNHIITPOKFC-ZDUSSCGKSA-N 2 2 402.292 4.200 20 0 HIADLP FC(F)(F)c1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000237719208 854082702 /nfs/dbraw/zinc/08/27/02/854082702.db2.gz IPRJHPCOMRZDEC-FQEVSTJZSA-N 2 2 400.448 4.255 20 0 HIADLP Cc1cc(F)ccc1-c1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000261471659 854274088 /nfs/dbraw/zinc/27/40/88/854274088.db2.gz XXTDSCKWYOVVSI-DEOSSOPVSA-N 2 2 407.533 4.472 20 0 HIADLP C[NH+](C)C1CC[NH+](CCNc2ccc3c(Br)ccc(Cl)c3n2)CC1 ZINC000302049236 854521474 /nfs/dbraw/zinc/52/14/74/854521474.db2.gz ZQHCKHURIGBSRJ-UHFFFAOYSA-N 2 2 411.775 4.089 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000303383002 854901485 /nfs/dbraw/zinc/90/14/85/854901485.db2.gz OHVTTZUADCTWME-LJQANCHMSA-N 2 2 404.514 4.126 20 0 HIADLP Brc1ccc2c(N[C@@H](C[NH+]3CCOCC3)c3ccccc3)cc[nH+]c2c1 ZINC000303687837 855133134 /nfs/dbraw/zinc/13/31/34/855133134.db2.gz UKHUHELPINADMI-NRFANRHFSA-N 2 2 412.331 4.483 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000398003123 855474228 /nfs/dbraw/zinc/47/42/28/855474228.db2.gz XQDUREVMXVSEHN-HNAYVOBHSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000398003123 855474233 /nfs/dbraw/zinc/47/42/33/855474233.db2.gz XQDUREVMXVSEHN-HNAYVOBHSA-N 2 2 406.357 4.432 20 0 HIADLP CN(C(=O)CC1CC(c2ccccc2)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000409855110 855690014 /nfs/dbraw/zinc/69/00/14/855690014.db2.gz UVGMJQMRGUULMW-RWVISMQESA-N 2 2 411.634 4.366 20 0 HIADLP CN(C(=O)CC1CC(c2ccccc2)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000409855110 855690019 /nfs/dbraw/zinc/69/00/19/855690019.db2.gz UVGMJQMRGUULMW-RWVISMQESA-N 2 2 411.634 4.366 20 0 HIADLP O[C@@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000425918755 855998294 /nfs/dbraw/zinc/99/82/94/855998294.db2.gz MPLPKUWDTHROHI-LOSJGSFVSA-N 2 2 421.972 4.028 20 0 HIADLP O[C@@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)C[N@H+]1CCc2ccccc2C1 ZINC000425918755 855998305 /nfs/dbraw/zinc/99/83/05/855998305.db2.gz MPLPKUWDTHROHI-LOSJGSFVSA-N 2 2 421.972 4.028 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426019541 856050218 /nfs/dbraw/zinc/05/02/18/856050218.db2.gz FLIRQINVZISSRE-UEVCKROQSA-N 2 2 409.578 4.066 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426019541 856050225 /nfs/dbraw/zinc/05/02/25/856050225.db2.gz FLIRQINVZISSRE-UEVCKROQSA-N 2 2 409.578 4.066 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426019539 856050838 /nfs/dbraw/zinc/05/08/38/856050838.db2.gz FLIRQINVZISSRE-OIBXWCBGSA-N 2 2 409.578 4.066 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426019539 856050851 /nfs/dbraw/zinc/05/08/51/856050851.db2.gz FLIRQINVZISSRE-OIBXWCBGSA-N 2 2 409.578 4.066 20 0 HIADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000426292616 856225799 /nfs/dbraw/zinc/22/57/99/856225799.db2.gz FLMWKLNNFCNSLU-DNQXCXABSA-N 2 2 417.557 4.063 20 0 HIADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000426292616 856225809 /nfs/dbraw/zinc/22/58/09/856225809.db2.gz FLMWKLNNFCNSLU-DNQXCXABSA-N 2 2 417.557 4.063 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000428264328 857133238 /nfs/dbraw/zinc/13/32/38/857133238.db2.gz LYXWRXBKSDEHNO-OAQYLSRUSA-N 2 2 406.496 4.401 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cn2)cc1 ZINC000428264328 857133244 /nfs/dbraw/zinc/13/32/44/857133244.db2.gz LYXWRXBKSDEHNO-OAQYLSRUSA-N 2 2 406.496 4.401 20 0 HIADLP Cc1[nH+]ccn1CCC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000428811134 857355459 /nfs/dbraw/zinc/35/54/59/857355459.db2.gz ZLPSZICYPYXHEN-VWLOTQADSA-N 2 2 403.574 4.143 20 0 HIADLP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000428811134 857355467 /nfs/dbraw/zinc/35/54/67/857355467.db2.gz ZLPSZICYPYXHEN-VWLOTQADSA-N 2 2 403.574 4.143 20 0 HIADLP Cc1[nH+]ccn1CCCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000428811134 857355475 /nfs/dbraw/zinc/35/54/75/857355475.db2.gz ZLPSZICYPYXHEN-VWLOTQADSA-N 2 2 403.574 4.143 20 0 HIADLP Cc1[nH+]ccn1CCCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000428811134 857355479 /nfs/dbraw/zinc/35/54/79/857355479.db2.gz ZLPSZICYPYXHEN-VWLOTQADSA-N 2 2 403.574 4.143 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429402070 857644617 /nfs/dbraw/zinc/64/46/17/857644617.db2.gz BOJGSYPOTYLZDS-YKSBVNFPSA-N 2 2 424.589 4.158 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429402070 857644622 /nfs/dbraw/zinc/64/46/22/857644622.db2.gz BOJGSYPOTYLZDS-YKSBVNFPSA-N 2 2 424.589 4.158 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429456069 857679498 /nfs/dbraw/zinc/67/94/98/857679498.db2.gz RVUVVWMYGBVQFY-GCJKJVERSA-N 2 2 422.598 4.455 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429456069 857679505 /nfs/dbraw/zinc/67/95/05/857679505.db2.gz RVUVVWMYGBVQFY-GCJKJVERSA-N 2 2 422.598 4.455 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c2cccs2)cc1 ZINC000429797926 857888398 /nfs/dbraw/zinc/88/83/98/857888398.db2.gz DYDGNGKBNKSJIE-VNZMSGEBSA-N 2 2 413.631 4.178 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c2cccs2)cc1 ZINC000429797926 857888401 /nfs/dbraw/zinc/88/84/01/857888401.db2.gz DYDGNGKBNKSJIE-VNZMSGEBSA-N 2 2 413.631 4.178 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c2cccs2)cc1 ZINC000429797926 857888406 /nfs/dbraw/zinc/88/84/06/857888406.db2.gz DYDGNGKBNKSJIE-VNZMSGEBSA-N 2 2 413.631 4.178 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c2cccs2)cc1 ZINC000429797926 857888409 /nfs/dbraw/zinc/88/84/09/857888409.db2.gz DYDGNGKBNKSJIE-VNZMSGEBSA-N 2 2 413.631 4.178 20 0 HIADLP Cc1ccccc1[C@@H](OC[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000430832455 858322182 /nfs/dbraw/zinc/32/21/82/858322182.db2.gz ZBJJBHBXWONSEW-UPVQGACJSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000431112522 858451909 /nfs/dbraw/zinc/45/19/09/858451909.db2.gz BXLOHWIVMSUGFW-HSZRJFAPSA-N 2 2 409.599 4.319 20 0 HIADLP Cc1cn2cc(NC(=O)N3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)ccc2[nH+]1 ZINC000432857940 859391067 /nfs/dbraw/zinc/39/10/67/859391067.db2.gz GPPLBQCAEFEUMN-UHFFFAOYSA-N 2 2 403.530 4.163 20 0 HIADLP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433055006 859503325 /nfs/dbraw/zinc/50/33/25/859503325.db2.gz XBAPWXFBSOJARZ-SFHVURJKSA-N 2 2 413.512 4.280 20 0 HIADLP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433055006 859503333 /nfs/dbraw/zinc/50/33/33/859503333.db2.gz XBAPWXFBSOJARZ-SFHVURJKSA-N 2 2 413.512 4.280 20 0 HIADLP O=C1[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCN1c1ccccc1Cl ZINC000434678958 860456064 /nfs/dbraw/zinc/45/60/64/860456064.db2.gz AMVHGXFEMLVAKC-NRFANRHFSA-N 2 2 412.965 4.248 20 0 HIADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687853 860461808 /nfs/dbraw/zinc/46/18/08/860461808.db2.gz ZREKROWQPZSDNI-GOSISDBHSA-N 2 2 420.557 4.365 20 0 HIADLP CCOc1ccc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)cc1 ZINC000434691307 860464998 /nfs/dbraw/zinc/46/49/98/860464998.db2.gz PWAIKVOIOYKPRZ-UHFFFAOYSA-N 2 2 407.518 4.048 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(Br)c1 ZINC000467843543 881685030 /nfs/dbraw/zinc/68/50/30/881685030.db2.gz IVFSHDGAUMLHHQ-QGZVFWFLSA-N 2 2 419.363 4.011 20 0 HIADLP CO[C@H](C)c1nc(C[N@@H+]2CCCN(c3cc[nH+]c4cc(F)ccc43)CC2)cs1 ZINC000439597422 864920989 /nfs/dbraw/zinc/92/09/89/864920989.db2.gz UQBXPUCDFNDXIT-OAHLLOKOSA-N 2 2 400.523 4.250 20 0 HIADLP CO[C@H](C)c1nc(C[N@H+]2CCCN(c3cc[nH+]c4cc(F)ccc43)CC2)cs1 ZINC000439597422 864920995 /nfs/dbraw/zinc/92/09/95/864920995.db2.gz UQBXPUCDFNDXIT-OAHLLOKOSA-N 2 2 400.523 4.250 20 0 HIADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000439648443 864975141 /nfs/dbraw/zinc/97/51/41/864975141.db2.gz AAFUHPKVPKTMJE-GOSISDBHSA-N 2 2 412.603 4.163 20 0 HIADLP CC(C)C[C@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468003732 881845089 /nfs/dbraw/zinc/84/50/89/881845089.db2.gz ITIVTVNAQOTDHD-NZQKXSOJSA-N 2 2 423.605 4.115 20 0 HIADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC000440047624 865326092 /nfs/dbraw/zinc/32/60/92/865326092.db2.gz BQYAQFQGSQCBRP-XMMPIXPASA-N 2 2 410.602 4.215 20 0 HIADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440163988 865392777 /nfs/dbraw/zinc/39/27/77/865392777.db2.gz MXPSZWQRUPMLGS-HXUWFJFHSA-N 2 2 410.587 4.047 20 0 HIADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440163988 865392794 /nfs/dbraw/zinc/39/27/94/865392794.db2.gz MXPSZWQRUPMLGS-HXUWFJFHSA-N 2 2 410.587 4.047 20 0 HIADLP O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440163988 865392817 /nfs/dbraw/zinc/39/28/17/865392817.db2.gz MXPSZWQRUPMLGS-HXUWFJFHSA-N 2 2 410.587 4.047 20 0 HIADLP O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440163988 865392833 /nfs/dbraw/zinc/39/28/33/865392833.db2.gz MXPSZWQRUPMLGS-HXUWFJFHSA-N 2 2 410.587 4.047 20 0 HIADLP CC[N@H+](Cc1nnc(-c2ccco2)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440702029 865869368 /nfs/dbraw/zinc/86/93/68/865869368.db2.gz COIHFWJUGFBXPN-UHFFFAOYSA-N 2 2 410.522 4.042 20 0 HIADLP CC[N@@H+](Cc1nnc(-c2ccco2)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440702029 865869369 /nfs/dbraw/zinc/86/93/69/865869369.db2.gz COIHFWJUGFBXPN-UHFFFAOYSA-N 2 2 410.522 4.042 20 0 HIADLP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000440759771 865894127 /nfs/dbraw/zinc/89/41/27/865894127.db2.gz CSSDSZKFSMNOMS-WMTXJRDZSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000440759771 865894130 /nfs/dbraw/zinc/89/41/30/865894130.db2.gz CSSDSZKFSMNOMS-WMTXJRDZSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000440809848 865927892 /nfs/dbraw/zinc/92/78/92/865927892.db2.gz BFWWGZLJVRXMCU-HSZRJFAPSA-N 2 2 411.594 4.053 20 0 HIADLP CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441371049 866439719 /nfs/dbraw/zinc/43/97/19/866439719.db2.gz JTSKWKZNAFSMMY-JPYJTQIMSA-N 2 2 404.514 4.061 20 0 HIADLP CCOc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441374939 866443189 /nfs/dbraw/zinc/44/31/89/866443189.db2.gz IJNLYUITHMKUPZ-CVDCTZTESA-N 2 2 406.530 4.257 20 0 HIADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441374234 866443312 /nfs/dbraw/zinc/44/33/12/866443312.db2.gz DVBKZVOTFHOMSQ-QPPBQGQZSA-N 2 2 404.558 4.268 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCc2ccccc2Cl)c(C)c1 ZINC000441379430 866450568 /nfs/dbraw/zinc/45/05/68/866450568.db2.gz GKLXOOHDNHNMAQ-XMSQKQJNSA-N 2 2 410.949 4.189 20 0 HIADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000441912238 866976810 /nfs/dbraw/zinc/97/68/10/866976810.db2.gz PAHKMICBBUWIOU-UHFFFAOYSA-N 2 2 403.368 4.211 20 0 HIADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000441912238 866976822 /nfs/dbraw/zinc/97/68/22/866976822.db2.gz PAHKMICBBUWIOU-UHFFFAOYSA-N 2 2 403.368 4.211 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC000443528089 868085202 /nfs/dbraw/zinc/08/52/02/868085202.db2.gz CSTFKRIJVRSDAB-UHFFFAOYSA-N 2 2 414.981 4.497 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC000443528089 868085215 /nfs/dbraw/zinc/08/52/15/868085215.db2.gz CSTFKRIJVRSDAB-UHFFFAOYSA-N 2 2 414.981 4.497 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444799821 869016078 /nfs/dbraw/zinc/01/60/78/869016078.db2.gz IHIFNBAZUOMOJI-OFNKIYASSA-N 2 2 418.541 4.297 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444799821 869016092 /nfs/dbraw/zinc/01/60/92/869016092.db2.gz IHIFNBAZUOMOJI-OFNKIYASSA-N 2 2 418.541 4.297 20 0 HIADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000445212473 869277415 /nfs/dbraw/zinc/27/74/15/869277415.db2.gz MDCXGNINHJKPIY-QFIPXVFZSA-N 2 2 411.594 4.131 20 0 HIADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000445212473 869277429 /nfs/dbraw/zinc/27/74/29/869277429.db2.gz MDCXGNINHJKPIY-QFIPXVFZSA-N 2 2 411.594 4.131 20 0 HIADLP CN(C(=O)N[C@@H]1CCCc2sccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000468471941 882426758 /nfs/dbraw/zinc/42/67/58/882426758.db2.gz WMNQERXATQFSBK-NJYVYQBISA-N 2 2 418.651 4.104 20 0 HIADLP CN(C(=O)N[C@@H]1CCCc2sccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000468471941 882426799 /nfs/dbraw/zinc/42/67/99/882426799.db2.gz WMNQERXATQFSBK-NJYVYQBISA-N 2 2 418.651 4.104 20 0 HIADLP Cc1[nH+]ccn1CCCN(C)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000446883773 870803523 /nfs/dbraw/zinc/80/35/23/870803523.db2.gz LSMKPASUIOEFAW-UHFFFAOYSA-N 2 2 420.586 4.451 20 0 HIADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)CCC2 ZINC000447563920 871457816 /nfs/dbraw/zinc/45/78/16/871457816.db2.gz SXKABYWMWTUCKW-IBGZPJMESA-N 2 2 407.514 4.219 20 0 HIADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000447563074 871458218 /nfs/dbraw/zinc/45/82/18/871458218.db2.gz NYRVLYXVRVPGQR-OJXFFNQFSA-N 3 2 403.614 4.479 20 0 HIADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000447563074 871458228 /nfs/dbraw/zinc/45/82/28/871458228.db2.gz NYRVLYXVRVPGQR-OJXFFNQFSA-N 3 2 403.614 4.479 20 0 HIADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447721154 871664117 /nfs/dbraw/zinc/66/41/17/871664117.db2.gz FFZUWDUXJVVUAY-VXKWHMMOSA-N 2 2 411.521 4.204 20 0 HIADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447721154 871664125 /nfs/dbraw/zinc/66/41/25/871664125.db2.gz FFZUWDUXJVVUAY-VXKWHMMOSA-N 2 2 411.521 4.204 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000448374038 872323297 /nfs/dbraw/zinc/32/32/97/872323297.db2.gz IMQZDDCNMQJXJY-UHFFFAOYSA-N 2 2 420.561 4.275 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000460350112 872970951 /nfs/dbraw/zinc/97/09/51/872970951.db2.gz URNJLDWZVNOTQL-BRLLKYFNSA-N 2 2 403.929 4.164 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000460350112 872970967 /nfs/dbraw/zinc/97/09/67/872970967.db2.gz URNJLDWZVNOTQL-BRLLKYFNSA-N 2 2 403.929 4.164 20 0 HIADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(Br)cc3Cl)cc2)CC1 ZINC000462673489 875770617 /nfs/dbraw/zinc/77/06/17/875770617.db2.gz HUBRUHWCFSDECF-UHFFFAOYSA-N 2 2 422.798 4.140 20 0 HIADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Br)cc3Cl)cc2)CC1 ZINC000462673489 875770623 /nfs/dbraw/zinc/77/06/23/875770623.db2.gz HUBRUHWCFSDECF-UHFFFAOYSA-N 2 2 422.798 4.140 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3csc(C)n3)cc2)CC1 ZINC000462798004 875847482 /nfs/dbraw/zinc/84/74/82/875847482.db2.gz ICQFCXPHZYPITR-MRXNPFEDSA-N 2 2 401.576 4.187 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000462804748 875851702 /nfs/dbraw/zinc/85/17/02/875851702.db2.gz CKPAMZIWXSWMNL-WNOPAQSVSA-N 2 2 420.601 4.130 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000462804748 875851711 /nfs/dbraw/zinc/85/17/11/875851711.db2.gz CKPAMZIWXSWMNL-WNOPAQSVSA-N 2 2 420.601 4.130 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000463116898 876158147 /nfs/dbraw/zinc/15/81/47/876158147.db2.gz QJKBBKVURLFPSQ-AWRGLXIESA-N 3 2 424.608 4.281 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000463116898 876158152 /nfs/dbraw/zinc/15/81/52/876158152.db2.gz QJKBBKVURLFPSQ-AWRGLXIESA-N 3 2 424.608 4.281 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N2CCCC2)c1 ZINC000463139451 876190125 /nfs/dbraw/zinc/19/01/25/876190125.db2.gz GYDRXIFBMYBQIX-CVJWPJSTSA-N 2 2 407.602 4.475 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N2CCCC2)c1 ZINC000463139451 876190132 /nfs/dbraw/zinc/19/01/32/876190132.db2.gz GYDRXIFBMYBQIX-CVJWPJSTSA-N 2 2 407.602 4.475 20 0 HIADLP CCN1CCO[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262188 876320394 /nfs/dbraw/zinc/32/03/94/876320394.db2.gz YQMSNXPJFGMKDH-NDEVUPSOSA-N 2 2 407.602 4.091 20 0 HIADLP CCN1CCO[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262188 876320410 /nfs/dbraw/zinc/32/04/10/876320410.db2.gz YQMSNXPJFGMKDH-NDEVUPSOSA-N 2 2 407.602 4.091 20 0 HIADLP CC[N@@H+]1CCO[C@@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262188 876320423 /nfs/dbraw/zinc/32/04/23/876320423.db2.gz YQMSNXPJFGMKDH-NDEVUPSOSA-N 2 2 407.602 4.091 20 0 HIADLP CC[N@H+]1CCO[C@@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262188 876320442 /nfs/dbraw/zinc/32/04/42/876320442.db2.gz YQMSNXPJFGMKDH-NDEVUPSOSA-N 2 2 407.602 4.091 20 0 HIADLP CC[NH+]1CCO[C@@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262188 876320461 /nfs/dbraw/zinc/32/04/61/876320461.db2.gz YQMSNXPJFGMKDH-NDEVUPSOSA-N 2 2 407.602 4.091 20 0 HIADLP CC[NH+]1CCO[C@@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262188 876320472 /nfs/dbraw/zinc/32/04/72/876320472.db2.gz YQMSNXPJFGMKDH-NDEVUPSOSA-N 2 2 407.602 4.091 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)CCO1 ZINC000463304246 876364550 /nfs/dbraw/zinc/36/45/50/876364550.db2.gz VHMHWWXCJUXDFL-JFHCNKDXSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)c2)CCO1 ZINC000463304246 876364567 /nfs/dbraw/zinc/36/45/67/876364567.db2.gz VHMHWWXCJUXDFL-JFHCNKDXSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)CCO1 ZINC000463304246 876364588 /nfs/dbraw/zinc/36/45/88/876364588.db2.gz VHMHWWXCJUXDFL-JFHCNKDXSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)CCO1 ZINC000463304246 876364607 /nfs/dbraw/zinc/36/46/07/876364607.db2.gz VHMHWWXCJUXDFL-JFHCNKDXSA-N 3 2 419.613 4.193 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000468961681 883027489 /nfs/dbraw/zinc/02/74/89/883027489.db2.gz MXPFEQZJTYFGJW-DNRQZRRGSA-N 2 2 421.585 4.289 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000468961681 883027507 /nfs/dbraw/zinc/02/75/07/883027507.db2.gz MXPFEQZJTYFGJW-DNRQZRRGSA-N 2 2 421.585 4.289 20 0 HIADLP CC(C[NH+]1Cc2ccc(O)cc2C2(CC2)C1)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463426571 876480981 /nfs/dbraw/zinc/48/09/81/876480981.db2.gz ZHMPGFZTISXFMF-UHFFFAOYSA-N 2 2 404.554 4.129 20 0 HIADLP CC(C[NH+]1Cc2ccc(O)cc2C2(CC2)C1)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463426571 876480985 /nfs/dbraw/zinc/48/09/85/876480985.db2.gz ZHMPGFZTISXFMF-UHFFFAOYSA-N 2 2 404.554 4.129 20 0 HIADLP C[C@H](C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[NH+]1CCCCCC1 ZINC000468987395 883053341 /nfs/dbraw/zinc/05/33/41/883053341.db2.gz NEGCQPZZRAPZOV-GOSISDBHSA-N 2 2 420.960 4.359 20 0 HIADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463694928 876814566 /nfs/dbraw/zinc/81/45/66/876814566.db2.gz AGSIDIAEYVQCRD-OAQYLSRUSA-N 2 2 419.529 4.438 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464838505 878102081 /nfs/dbraw/zinc/10/20/81/878102081.db2.gz NKELHTVWLIYQCO-RCZVLFRGSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464838505 878102106 /nfs/dbraw/zinc/10/21/06/878102106.db2.gz NKELHTVWLIYQCO-RCZVLFRGSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464838505 878102126 /nfs/dbraw/zinc/10/21/26/878102126.db2.gz NKELHTVWLIYQCO-RCZVLFRGSA-N 2 2 419.613 4.268 20 0 HIADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464838505 878102146 /nfs/dbraw/zinc/10/21/46/878102146.db2.gz NKELHTVWLIYQCO-RCZVLFRGSA-N 2 2 419.613 4.268 20 0 HIADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844560 878115796 /nfs/dbraw/zinc/11/57/96/878115796.db2.gz BDVNSHGUHRROBD-UNMCSNQZSA-N 2 2 411.615 4.038 20 0 HIADLP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844560 878115805 /nfs/dbraw/zinc/11/58/05/878115805.db2.gz BDVNSHGUHRROBD-UNMCSNQZSA-N 2 2 411.615 4.038 20 0 HIADLP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844560 878115813 /nfs/dbraw/zinc/11/58/13/878115813.db2.gz BDVNSHGUHRROBD-UNMCSNQZSA-N 2 2 411.615 4.038 20 0 HIADLP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844560 878115825 /nfs/dbraw/zinc/11/58/25/878115825.db2.gz BDVNSHGUHRROBD-UNMCSNQZSA-N 2 2 411.615 4.038 20 0 HIADLP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503367409 912345142 /nfs/dbraw/zinc/34/51/42/912345142.db2.gz LLAYGJQZVXMNAS-KRWDZBQOSA-N 2 2 411.937 4.345 20 0 HIADLP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503367409 912345161 /nfs/dbraw/zinc/34/51/61/912345161.db2.gz LLAYGJQZVXMNAS-KRWDZBQOSA-N 2 2 411.937 4.345 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503372881 912354155 /nfs/dbraw/zinc/35/41/55/912354155.db2.gz HPLFJCWNVOBKFZ-WMZOPIPTSA-N 2 2 407.518 4.219 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503372881 912354177 /nfs/dbraw/zinc/35/41/77/912354177.db2.gz HPLFJCWNVOBKFZ-WMZOPIPTSA-N 2 2 407.518 4.219 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503388450 912372047 /nfs/dbraw/zinc/37/20/47/912372047.db2.gz CNJWJONJRDTMGY-RBBKRZOGSA-N 2 2 408.590 4.225 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503388450 912372070 /nfs/dbraw/zinc/37/20/70/912372070.db2.gz CNJWJONJRDTMGY-RBBKRZOGSA-N 2 2 408.590 4.225 20 0 HIADLP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411163 912392708 /nfs/dbraw/zinc/39/27/08/912392708.db2.gz ZLCZSEDXWXZKNT-YLJYHZDGSA-N 2 2 407.480 4.021 20 0 HIADLP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411163 912392724 /nfs/dbraw/zinc/39/27/24/912392724.db2.gz ZLCZSEDXWXZKNT-YLJYHZDGSA-N 2 2 407.480 4.021 20 0 HIADLP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411162 912394253 /nfs/dbraw/zinc/39/42/53/912394253.db2.gz ZLCZSEDXWXZKNT-XLIONFOSSA-N 2 2 407.480 4.021 20 0 HIADLP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411162 912394263 /nfs/dbraw/zinc/39/42/63/912394263.db2.gz ZLCZSEDXWXZKNT-XLIONFOSSA-N 2 2 407.480 4.021 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503427563 912421521 /nfs/dbraw/zinc/42/15/21/912421521.db2.gz DFWPAJVVIIDBLP-SCTDSRPQSA-N 2 2 414.981 4.318 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503427563 912421531 /nfs/dbraw/zinc/42/15/31/912421531.db2.gz DFWPAJVVIIDBLP-SCTDSRPQSA-N 2 2 414.981 4.318 20 0 HIADLP C[N@H+](Cc1ccccc1OCc1ccncc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512370359 921111279 /nfs/dbraw/zinc/11/12/79/921111279.db2.gz PTFLULVUZOWWJV-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP C[N@@H+](Cc1ccccc1OCc1ccncc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512370359 921111293 /nfs/dbraw/zinc/11/12/93/921111293.db2.gz PTFLULVUZOWWJV-UHFFFAOYSA-N 2 2 416.569 4.195 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437810 912449151 /nfs/dbraw/zinc/44/91/51/912449151.db2.gz YGQKSSYHEZWABN-GGPKGHCWSA-N 2 2 412.603 4.213 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437810 912449165 /nfs/dbraw/zinc/44/91/65/912449165.db2.gz YGQKSSYHEZWABN-GGPKGHCWSA-N 2 2 412.603 4.213 20 0 HIADLP Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000466139180 879849857 /nfs/dbraw/zinc/84/98/57/879849857.db2.gz AYPAIZOWMQFOSF-CTNGQTDRSA-N 2 2 416.610 4.021 20 0 HIADLP Cc1cccc(CN(CC(C)C)C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466156341 879861828 /nfs/dbraw/zinc/86/18/28/879861828.db2.gz AREBIZMIUJUYSF-UHFFFAOYSA-N 2 2 414.638 4.113 20 0 HIADLP CC(C)[N@@H+]1CCc2nc(CNc3ccc(C[NH+](C)C)c(Br)c3)sc2C1 ZINC000466723968 880511189 /nfs/dbraw/zinc/51/11/89/880511189.db2.gz BBBCEWZWBGNRCV-UHFFFAOYSA-N 2 2 423.424 4.346 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)cn2c1 ZINC000503564708 912640677 /nfs/dbraw/zinc/64/06/77/912640677.db2.gz DGGWNACXHPETHP-UHFFFAOYSA-N 2 2 414.619 4.035 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCCC1)c1ccccc1 ZINC000469765194 883935742 /nfs/dbraw/zinc/93/57/42/883935742.db2.gz SBZLHZTYAWDYLK-RZUBCFFCSA-N 2 2 409.578 4.139 20 0 HIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N(c2ccccc2)C2CCCCC2)[C@@H](C)C1 ZINC000469788409 883962779 /nfs/dbraw/zinc/96/27/79/883962779.db2.gz AQFRYWMZSNGMJK-XUZZJYLKSA-N 2 2 415.622 4.079 20 0 HIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N(c2ccccc2)C2CCCCC2)[C@@H](C)C1 ZINC000469788409 883962799 /nfs/dbraw/zinc/96/27/99/883962799.db2.gz AQFRYWMZSNGMJK-XUZZJYLKSA-N 2 2 415.622 4.079 20 0 HIADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)s1 ZINC000512375154 921114030 /nfs/dbraw/zinc/11/40/30/921114030.db2.gz NAEAXVYQRMCBID-LJQANCHMSA-N 2 2 413.509 4.481 20 0 HIADLP CC[NH+](CC)[C@@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)c1ccccc1 ZINC000504222544 913095574 /nfs/dbraw/zinc/09/55/74/913095574.db2.gz GEINVSPVCUTYPZ-JOCHJYFZSA-N 2 2 406.530 4.000 20 0 HIADLP CC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000473278344 888035020 /nfs/dbraw/zinc/03/50/20/888035020.db2.gz HWMGVIRQWWAZIW-UHFFFAOYSA-N 2 2 408.468 4.156 20 0 HIADLP CC[N@H+](Cc1ccc(OCC(F)(F)F)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000473278344 888035037 /nfs/dbraw/zinc/03/50/37/888035037.db2.gz HWMGVIRQWWAZIW-UHFFFAOYSA-N 2 2 408.468 4.156 20 0 HIADLP CC[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000474263947 889124169 /nfs/dbraw/zinc/12/41/69/889124169.db2.gz HVEOHSSHHWXZKH-UHFFFAOYSA-N 2 2 410.953 4.054 20 0 HIADLP CC[N@H+](Cc1ccc(Cl)cc1-n1cncn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000474263947 889124188 /nfs/dbraw/zinc/12/41/88/889124188.db2.gz HVEOHSSHHWXZKH-UHFFFAOYSA-N 2 2 410.953 4.054 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Br)cc2)C[C@@H](C)O1 ZINC000474467033 889330259 /nfs/dbraw/zinc/33/02/59/889330259.db2.gz GYMNXYVJOXQWEE-HZPDHXFCSA-N 2 2 421.354 4.487 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C[N@@H+]1CCc3ccccc3C1)C(C)(C)C)C2 ZINC000474959877 889814953 /nfs/dbraw/zinc/81/49/53/889814953.db2.gz LPELCSLYBCKGTA-XXBNENTESA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C[N@H+]1CCc3ccccc3C1)C(C)(C)C)C2 ZINC000474959877 889814961 /nfs/dbraw/zinc/81/49/61/889814961.db2.gz LPELCSLYBCKGTA-XXBNENTESA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C[N@@H+]1CCc3ccccc3C1)C(C)(C)C)CC2 ZINC000474959877 889814965 /nfs/dbraw/zinc/81/49/65/889814965.db2.gz LPELCSLYBCKGTA-XXBNENTESA-N 2 2 422.617 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C[N@H+]1CCc3ccccc3C1)C(C)(C)C)CC2 ZINC000474959877 889814967 /nfs/dbraw/zinc/81/49/67/889814967.db2.gz LPELCSLYBCKGTA-XXBNENTESA-N 2 2 422.617 4.227 20 0 HIADLP CCc1noc(C2CCC([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)CC2)n1 ZINC000475353146 890278920 /nfs/dbraw/zinc/27/89/20/890278920.db2.gz QCWLEWNFNWKXCX-UHFFFAOYSA-N 2 2 400.489 4.053 20 0 HIADLP CCCOc1c(Br)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC ZINC000475576632 890506329 /nfs/dbraw/zinc/50/63/29/890506329.db2.gz ALRMBIDTOJLFGP-UHFFFAOYSA-N 2 2 411.384 4.353 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)C2 ZINC000475909784 890838051 /nfs/dbraw/zinc/83/80/51/890838051.db2.gz GMNPCLOXQYMCEW-IBGZPJMESA-N 2 2 408.590 4.330 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)CC2 ZINC000475909784 890838054 /nfs/dbraw/zinc/83/80/54/890838054.db2.gz GMNPCLOXQYMCEW-IBGZPJMESA-N 2 2 408.590 4.330 20 0 HIADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476208309 891138805 /nfs/dbraw/zinc/13/88/05/891138805.db2.gz UOVWKXCOKVGKDE-NHCUHLMSSA-N 2 2 408.590 4.009 20 0 HIADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476208309 891138810 /nfs/dbraw/zinc/13/88/10/891138810.db2.gz UOVWKXCOKVGKDE-NHCUHLMSSA-N 2 2 408.590 4.009 20 0 HIADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476208309 891138814 /nfs/dbraw/zinc/13/88/14/891138814.db2.gz UOVWKXCOKVGKDE-NHCUHLMSSA-N 2 2 408.590 4.009 20 0 HIADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476208309 891138818 /nfs/dbraw/zinc/13/88/18/891138818.db2.gz UOVWKXCOKVGKDE-NHCUHLMSSA-N 2 2 408.590 4.009 20 0 HIADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476334422 891238458 /nfs/dbraw/zinc/23/84/58/891238458.db2.gz JPBRUOBFAJCMPO-KRWDZBQOSA-N 2 2 402.608 4.070 20 0 HIADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476334422 891238479 /nfs/dbraw/zinc/23/84/79/891238479.db2.gz JPBRUOBFAJCMPO-KRWDZBQOSA-N 2 2 402.608 4.070 20 0 HIADLP Cc1cc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477025526 891952617 /nfs/dbraw/zinc/95/26/17/891952617.db2.gz NJPZVFGHDGPOTM-IBGZPJMESA-N 2 2 423.605 4.116 20 0 HIADLP Cc1cc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000477025526 891952628 /nfs/dbraw/zinc/95/26/28/891952628.db2.gz NJPZVFGHDGPOTM-IBGZPJMESA-N 2 2 423.605 4.116 20 0 HIADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(=Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000477677697 892806537 /nfs/dbraw/zinc/80/65/37/892806537.db2.gz FKMKPDUOKCHKHC-UHFFFAOYSA-N 2 2 410.389 4.073 20 0 HIADLP CC[NH+]1CCC([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)CC1 ZINC000478219848 893380196 /nfs/dbraw/zinc/38/01/96/893380196.db2.gz LFKAKCXVNUFMTE-UHFFFAOYSA-N 2 2 405.384 4.332 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2nc3ccc(Cl)cc3n2C)C[C@H](C)O1 ZINC000478312974 893537954 /nfs/dbraw/zinc/53/79/54/893537954.db2.gz LEBBBFXLPGOFOC-CALCHBBNSA-N 2 2 412.965 4.126 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2nc3ccc(Cl)cc3n2C)C[C@H](C)O1 ZINC000478312974 893537978 /nfs/dbraw/zinc/53/79/78/893537978.db2.gz LEBBBFXLPGOFOC-CALCHBBNSA-N 2 2 412.965 4.126 20 0 HIADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccco1 ZINC000479019444 894285444 /nfs/dbraw/zinc/28/54/44/894285444.db2.gz PYFKWNDXAUAZSF-UTKZUKDTSA-N 2 2 419.529 4.446 20 0 HIADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000479474885 894798694 /nfs/dbraw/zinc/79/86/94/894798694.db2.gz FJHJAZFAGUEGBJ-PBPGXSGUSA-N 3 2 413.528 4.083 20 0 HIADLP COc1c(Br)cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000479559426 894858045 /nfs/dbraw/zinc/85/80/45/894858045.db2.gz ZVYUGAKCTFRUOS-UHFFFAOYSA-N 2 2 404.283 4.381 20 0 HIADLP Cc1c([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)nnn1-c1ccc(C)cc1 ZINC000480561721 895921787 /nfs/dbraw/zinc/92/17/87/895921787.db2.gz WRRWRGRXLGUTHI-LJQANCHMSA-N 2 2 400.530 4.022 20 0 HIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1I ZINC000480608656 895973969 /nfs/dbraw/zinc/97/39/69/895973969.db2.gz KNQLURBQVBMQIE-AWEZNQCLSA-N 2 2 407.299 4.006 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCc4c3ccc(Cl)c4Cl)cc2)CC1 ZINC000480612198 895979393 /nfs/dbraw/zinc/97/93/93/895979393.db2.gz QDEKTXITSMAQBF-FQEVSTJZSA-N 2 2 418.368 4.158 20 0 HIADLP Clc1sc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1Br ZINC000480632983 896002158 /nfs/dbraw/zinc/00/21/58/896002158.db2.gz DPZDAAZLYWNPNH-UHFFFAOYSA-N 2 2 415.784 4.286 20 0 HIADLP Clc1sc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1Br ZINC000480664614 896030721 /nfs/dbraw/zinc/03/07/21/896030721.db2.gz ASXYUKBFHFHNDH-UHFFFAOYSA-N 2 2 415.784 4.286 20 0 HIADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CC1 ZINC000480757899 896119733 /nfs/dbraw/zinc/11/97/33/896119733.db2.gz CIWPQAQTPMMHAU-DOXRDRLYSA-N 2 2 403.570 4.319 20 0 HIADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CC1 ZINC000480757899 896119743 /nfs/dbraw/zinc/11/97/43/896119743.db2.gz CIWPQAQTPMMHAU-DOXRDRLYSA-N 2 2 403.570 4.319 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000480770759 896133821 /nfs/dbraw/zinc/13/38/21/896133821.db2.gz LYYBKFQIIYGYCH-SFHVURJKSA-N 2 2 409.965 4.278 20 0 HIADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)cs2)cs1 ZINC000480808789 896176490 /nfs/dbraw/zinc/17/64/90/896176490.db2.gz CZACTMLTUJRWNE-FOIQADDNSA-N 2 2 413.612 4.250 20 0 HIADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)cs2)cs1 ZINC000480808789 896176502 /nfs/dbraw/zinc/17/65/02/896176502.db2.gz CZACTMLTUJRWNE-FOIQADDNSA-N 2 2 413.612 4.250 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)cc1Br ZINC000480896468 896253614 /nfs/dbraw/zinc/25/36/14/896253614.db2.gz CNNDEQKQOSSMAT-INIZCTEOSA-N 2 2 420.370 4.186 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(F)cc1Br ZINC000480896468 896253627 /nfs/dbraw/zinc/25/36/27/896253627.db2.gz CNNDEQKQOSSMAT-INIZCTEOSA-N 2 2 420.370 4.186 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000481164167 896495525 /nfs/dbraw/zinc/49/55/25/896495525.db2.gz AXZCZQUGXPPBKB-OXJNMPFZSA-N 2 2 421.463 4.024 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000481164167 896495543 /nfs/dbraw/zinc/49/55/43/896495543.db2.gz AXZCZQUGXPPBKB-OXJNMPFZSA-N 2 2 421.463 4.024 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000481164168 896495921 /nfs/dbraw/zinc/49/59/21/896495921.db2.gz AXZCZQUGXPPBKB-OXQOHEQNSA-N 2 2 421.463 4.024 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000481164168 896495929 /nfs/dbraw/zinc/49/59/29/896495929.db2.gz AXZCZQUGXPPBKB-OXQOHEQNSA-N 2 2 421.463 4.024 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1OC(F)F ZINC000481164849 896498858 /nfs/dbraw/zinc/49/88/58/896498858.db2.gz AQJUNOIJGYMDJQ-JENIJYKNSA-N 2 2 417.500 4.115 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccccc1OC(F)F ZINC000481164849 896498875 /nfs/dbraw/zinc/49/88/75/896498875.db2.gz AQJUNOIJGYMDJQ-JENIJYKNSA-N 2 2 417.500 4.115 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000481170047 896503814 /nfs/dbraw/zinc/50/38/14/896503814.db2.gz ODHNLWIRRPDZQM-OXJNMPFZSA-N 2 2 405.464 4.144 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000481170047 896503825 /nfs/dbraw/zinc/50/38/25/896503825.db2.gz ODHNLWIRRPDZQM-OXJNMPFZSA-N 2 2 405.464 4.144 20 0 HIADLP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176359 896510838 /nfs/dbraw/zinc/51/08/38/896510838.db2.gz RISXEARRJIRURC-PXNSSMCTSA-N 2 2 415.965 4.096 20 0 HIADLP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176359 896510857 /nfs/dbraw/zinc/51/08/57/896510857.db2.gz RISXEARRJIRURC-PXNSSMCTSA-N 2 2 415.965 4.096 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000481180654 896522080 /nfs/dbraw/zinc/52/20/80/896522080.db2.gz XJTZWBUAXNQTRH-BWKNWUBXSA-N 2 2 417.553 4.313 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000481180654 896522099 /nfs/dbraw/zinc/52/20/99/896522099.db2.gz XJTZWBUAXNQTRH-BWKNWUBXSA-N 2 2 417.553 4.313 20 0 HIADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000481186579 896534106 /nfs/dbraw/zinc/53/41/06/896534106.db2.gz DQDUMTHWYHTGFK-GOSISDBHSA-N 2 2 420.500 4.158 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc2c(s1)CCCC2 ZINC000481193226 896545220 /nfs/dbraw/zinc/54/52/20/896545220.db2.gz TZKJVUWBCPORMA-GOSISDBHSA-N 2 2 400.588 4.189 20 0 HIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481195866 896547247 /nfs/dbraw/zinc/54/72/47/896547247.db2.gz YMVYRINEAZQOKS-SFHVURJKSA-N 2 2 418.965 4.301 20 0 HIADLP COc1ccc2cc([C@H](C)[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)ccc2c1 ZINC000481202617 896557233 /nfs/dbraw/zinc/55/72/33/896557233.db2.gz LUGIOSZBTBAOIU-FQEVSTJZSA-N 2 2 420.553 4.410 20 0 HIADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000481236303 896587374 /nfs/dbraw/zinc/58/73/74/896587374.db2.gz QHYPQLJUBWKMNZ-GOSISDBHSA-N 2 2 421.614 4.040 20 0 HIADLP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000481312670 896659926 /nfs/dbraw/zinc/65/99/26/896659926.db2.gz MMPLPKUIQVMEFA-OAQYLSRUSA-N 2 2 408.464 4.015 20 0 HIADLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(Cl)ccc1OC ZINC000481398251 896804999 /nfs/dbraw/zinc/80/49/99/896804999.db2.gz DERWVBZLDPSRRO-QFIPXVFZSA-N 2 2 418.965 4.301 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000481559260 896933074 /nfs/dbraw/zinc/93/30/74/896933074.db2.gz FDSYZXQNTWHPRE-JPYJTQIMSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000481559260 896933092 /nfs/dbraw/zinc/93/30/92/896933092.db2.gz FDSYZXQNTWHPRE-JPYJTQIMSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481963592 897353957 /nfs/dbraw/zinc/35/39/57/897353957.db2.gz YNGVBAAWKAOSPZ-WZONZLPQSA-N 2 2 410.949 4.250 20 0 HIADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2cccs2)cc1 ZINC000482117634 897569255 /nfs/dbraw/zinc/56/92/55/897569255.db2.gz ANFNSFSVCIOBRX-LJQANCHMSA-N 2 2 420.582 4.200 20 0 HIADLP COCCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)CC1 ZINC000482687996 898287293 /nfs/dbraw/zinc/28/72/93/898287293.db2.gz BKXWKAOCXMVMJM-UHFFFAOYSA-N 2 2 419.013 4.414 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)[C@@H](C)C1 ZINC000482728352 898330546 /nfs/dbraw/zinc/33/05/46/898330546.db2.gz DMDHYMKXUAHBPU-MBSDFSHPSA-N 2 2 401.526 4.240 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)[C@@H](C)C1 ZINC000482728352 898330560 /nfs/dbraw/zinc/33/05/60/898330560.db2.gz DMDHYMKXUAHBPU-MBSDFSHPSA-N 2 2 401.526 4.240 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000482784282 898391739 /nfs/dbraw/zinc/39/17/39/898391739.db2.gz AFQZFGBMVUAISR-YJBOKZPZSA-N 2 2 405.384 4.331 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000482784282 898391754 /nfs/dbraw/zinc/39/17/54/898391754.db2.gz AFQZFGBMVUAISR-YJBOKZPZSA-N 2 2 405.384 4.331 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1I ZINC000483127153 898812169 /nfs/dbraw/zinc/81/21/69/898812169.db2.gz MGRRYMZOFNTWJC-CQSZACIVSA-N 2 2 403.267 4.328 20 0 HIADLP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483463381 899103433 /nfs/dbraw/zinc/10/34/33/899103433.db2.gz NYXPJGOWMXVREB-DLBZAZTESA-N 2 2 419.447 4.273 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)N1CCC(n2c[nH+]cc2C)CC1)c1cccc(C(F)(F)F)c1 ZINC000505638843 914338944 /nfs/dbraw/zinc/33/89/44/914338944.db2.gz UGHYKGGRDQWQOD-HXUWFJFHSA-N 2 2 422.495 4.457 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000483720661 899380201 /nfs/dbraw/zinc/38/02/01/899380201.db2.gz GKAYMDVMVAVKID-LVXARBLLSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000483720661 899380219 /nfs/dbraw/zinc/38/02/19/899380219.db2.gz GKAYMDVMVAVKID-LVXARBLLSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000483720661 899380238 /nfs/dbraw/zinc/38/02/38/899380238.db2.gz GKAYMDVMVAVKID-LVXARBLLSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000483720661 899380250 /nfs/dbraw/zinc/38/02/50/899380250.db2.gz GKAYMDVMVAVKID-LVXARBLLSA-N 3 2 418.585 4.307 20 0 HIADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)s2)cc1OC ZINC000483726652 899386933 /nfs/dbraw/zinc/38/69/33/899386933.db2.gz NVBKMXDYSQTUKM-VKJFTORMSA-N 2 2 403.592 4.193 20 0 HIADLP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)s2)cc1OC ZINC000483726652 899386944 /nfs/dbraw/zinc/38/69/44/899386944.db2.gz NVBKMXDYSQTUKM-VKJFTORMSA-N 2 2 403.592 4.193 20 0 HIADLP C[NH+]1CCC(CNC(=O)N2CCCC[C@H]2c2ccc(F)cc2)([NH+]2CCCCC2)CC1 ZINC000483798430 899471450 /nfs/dbraw/zinc/47/14/50/899471450.db2.gz ZBKDXUSLWPBIGQ-QFIPXVFZSA-N 2 2 416.585 4.013 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000484067679 899699560 /nfs/dbraw/zinc/69/95/60/899699560.db2.gz IQTGFKFJJYHDFF-FQEVSTJZSA-N 2 2 400.320 4.109 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000484067679 899699573 /nfs/dbraw/zinc/69/95/73/899699573.db2.gz IQTGFKFJJYHDFF-FQEVSTJZSA-N 2 2 400.320 4.109 20 0 HIADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)ccc2c1 ZINC000484167270 899786668 /nfs/dbraw/zinc/78/66/68/899786668.db2.gz SGQOPMXGKDOBIZ-VFHOHQAYSA-N 2 2 404.554 4.382 20 0 HIADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)ccc2c1 ZINC000484167270 899786674 /nfs/dbraw/zinc/78/66/74/899786674.db2.gz SGQOPMXGKDOBIZ-VFHOHQAYSA-N 2 2 404.554 4.382 20 0 HIADLP Cc1c([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)nnn1-c1cccc(Cl)c1 ZINC000484178111 899796565 /nfs/dbraw/zinc/79/65/65/899796565.db2.gz QAWSMGZTPLFTRH-INIZCTEOSA-N 2 2 410.953 4.252 20 0 HIADLP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000484508176 899999431 /nfs/dbraw/zinc/99/94/31/899999431.db2.gz ZPLVENFKRPCRBT-RBUKOAKNSA-N 2 2 406.530 4.067 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485332887 900618873 /nfs/dbraw/zinc/61/88/73/900618873.db2.gz HXAAMAKXZKRURU-CBQOVEMMSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485332887 900618880 /nfs/dbraw/zinc/61/88/80/900618880.db2.gz HXAAMAKXZKRURU-CBQOVEMMSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000485332887 900618884 /nfs/dbraw/zinc/61/88/84/900618884.db2.gz HXAAMAKXZKRURU-CBQOVEMMSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000485332887 900618891 /nfs/dbraw/zinc/61/88/91/900618891.db2.gz HXAAMAKXZKRURU-CBQOVEMMSA-N 2 2 424.614 4.117 20 0 HIADLP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)cc1O ZINC000486475895 901636203 /nfs/dbraw/zinc/63/62/03/901636203.db2.gz KOWVKNHHGWDFMJ-NVXWUHKLSA-N 2 2 419.363 4.164 20 0 HIADLP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)cc1O ZINC000486475895 901636211 /nfs/dbraw/zinc/63/62/11/901636211.db2.gz KOWVKNHHGWDFMJ-NVXWUHKLSA-N 2 2 419.363 4.164 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486821225 901875016 /nfs/dbraw/zinc/87/50/16/901875016.db2.gz LUEGHYLKWCTXKK-ZWKOTPCHSA-N 2 2 423.026 4.292 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486821225 901875024 /nfs/dbraw/zinc/87/50/24/901875024.db2.gz LUEGHYLKWCTXKK-ZWKOTPCHSA-N 2 2 423.026 4.292 20 0 HIADLP CCOc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000486965993 901992435 /nfs/dbraw/zinc/99/24/35/901992435.db2.gz KXPWTSDIFCJBTR-UHFFFAOYSA-N 2 2 401.982 4.166 20 0 HIADLP Fc1cccc(Cc2noc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)n2)c1 ZINC000488128947 902626118 /nfs/dbraw/zinc/62/61/18/902626118.db2.gz BMNOCKVMTFNARO-UHFFFAOYSA-N 2 2 420.532 4.288 20 0 HIADLP Fc1cccc(Cc2noc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)n2)c1 ZINC000488128947 902626124 /nfs/dbraw/zinc/62/61/24/902626124.db2.gz BMNOCKVMTFNARO-UHFFFAOYSA-N 2 2 420.532 4.288 20 0 HIADLP CN(C(=O)c1cc(F)c2ccccc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489146054 903229805 /nfs/dbraw/zinc/22/98/05/903229805.db2.gz FFZCHAAEHJDYQN-RPWUZVMVSA-N 2 2 411.565 4.388 20 0 HIADLP CN(C(=O)c1cc(F)c2ccccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489146054 903229818 /nfs/dbraw/zinc/22/98/18/903229818.db2.gz FFZCHAAEHJDYQN-RPWUZVMVSA-N 2 2 411.565 4.388 20 0 HIADLP CN(C(=O)c1cc(F)c2ccccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489146056 903230932 /nfs/dbraw/zinc/23/09/32/903230932.db2.gz FFZCHAAEHJDYQN-ZEQRLZLVSA-N 2 2 411.565 4.388 20 0 HIADLP CN(C(=O)c1cc(F)c2ccccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489146056 903230942 /nfs/dbraw/zinc/23/09/42/903230942.db2.gz FFZCHAAEHJDYQN-ZEQRLZLVSA-N 2 2 411.565 4.388 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000489331451 903333960 /nfs/dbraw/zinc/33/39/60/903333960.db2.gz PUGWQUJQGAWOAD-SFHVURJKSA-N 2 2 421.545 4.440 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000489331451 903333972 /nfs/dbraw/zinc/33/39/72/903333972.db2.gz PUGWQUJQGAWOAD-SFHVURJKSA-N 2 2 421.545 4.440 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000489419304 903375909 /nfs/dbraw/zinc/37/59/09/903375909.db2.gz CCFKHRHZDQYLFU-QGZVFWFLSA-N 2 2 400.954 4.301 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000489419304 903375922 /nfs/dbraw/zinc/37/59/22/903375922.db2.gz CCFKHRHZDQYLFU-QGZVFWFLSA-N 2 2 400.954 4.301 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000489460794 903396986 /nfs/dbraw/zinc/39/69/86/903396986.db2.gz VUPLFOYWPQFRKY-IBGZPJMESA-N 2 2 405.546 4.355 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000489460794 903397001 /nfs/dbraw/zinc/39/70/01/903397001.db2.gz VUPLFOYWPQFRKY-IBGZPJMESA-N 2 2 405.546 4.355 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490963671 904339997 /nfs/dbraw/zinc/33/99/97/904339997.db2.gz YTVBOZSOAJDAAY-PGRDOPGGSA-N 2 2 415.528 4.215 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490963671 904340012 /nfs/dbraw/zinc/34/00/12/904340012.db2.gz YTVBOZSOAJDAAY-PGRDOPGGSA-N 2 2 415.528 4.215 20 0 HIADLP Cc1[nH+]ccn1CCCN(C)c1cccc2c1CCCN2CCCn1cc[nH+]c1C ZINC000492727225 904894484 /nfs/dbraw/zinc/89/44/84/904894484.db2.gz HFRGFQKAKBAIHX-UHFFFAOYSA-N 2 2 406.578 4.066 20 0 HIADLP CC(C)[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494158286 905494305 /nfs/dbraw/zinc/49/43/05/905494305.db2.gz YLSRUXJRIXEYFV-OALUTQOASA-N 2 2 407.530 4.042 20 0 HIADLP CC(C)[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494158286 905494316 /nfs/dbraw/zinc/49/43/16/905494316.db2.gz YLSRUXJRIXEYFV-OALUTQOASA-N 2 2 407.530 4.042 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnn(Cc3ccc(C(F)(F)F)cc3)c1)CCC2 ZINC000494614890 905863485 /nfs/dbraw/zinc/86/34/85/905863485.db2.gz UWYVXGGLYSBOFR-SFHVURJKSA-N 2 2 403.452 4.122 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000495821335 906555565 /nfs/dbraw/zinc/55/55/65/906555565.db2.gz VATCCPQWEKQSFZ-UHFFFAOYSA-N 2 2 414.402 4.306 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000495821335 906555568 /nfs/dbraw/zinc/55/55/68/906555568.db2.gz VATCCPQWEKQSFZ-UHFFFAOYSA-N 2 2 414.402 4.306 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1Cl ZINC000499050988 908424059 /nfs/dbraw/zinc/42/40/59/908424059.db2.gz FHYZLVAHNDTTEF-INIZCTEOSA-N 2 2 403.979 4.178 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]1 ZINC000499138561 908495850 /nfs/dbraw/zinc/49/58/50/908495850.db2.gz FXMSHHSURLYQLV-MPIKPJSNSA-N 3 2 400.570 4.259 20 0 HIADLP c1cn(Cc2ccccc2)c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]1 ZINC000499138561 908495859 /nfs/dbraw/zinc/49/58/59/908495859.db2.gz FXMSHHSURLYQLV-MPIKPJSNSA-N 3 2 400.570 4.259 20 0 HIADLP CSCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC000499145736 908503449 /nfs/dbraw/zinc/50/34/49/908503449.db2.gz IBQHQJQWQBLUSO-CIAFKFPVSA-N 2 2 421.614 4.309 20 0 HIADLP CSCC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC000499145736 908503461 /nfs/dbraw/zinc/50/34/61/908503461.db2.gz IBQHQJQWQBLUSO-CIAFKFPVSA-N 2 2 421.614 4.309 20 0 HIADLP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1c1ccccc1F ZINC000499178361 908533732 /nfs/dbraw/zinc/53/37/32/908533732.db2.gz TYEVZVOYERRNHW-QXUYBEEESA-N 2 2 407.533 4.106 20 0 HIADLP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCN1c1ccccc1F ZINC000499178361 908533741 /nfs/dbraw/zinc/53/37/41/908533741.db2.gz TYEVZVOYERRNHW-QXUYBEEESA-N 2 2 407.533 4.106 20 0 HIADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)sc2C1 ZINC000513050897 921509216 /nfs/dbraw/zinc/50/92/16/921509216.db2.gz IYBMBGVCHQBVCD-PKOBYXMFSA-N 2 2 407.530 4.278 20 0 HIADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)sc2C1 ZINC000513050897 921509220 /nfs/dbraw/zinc/50/92/20/921509220.db2.gz IYBMBGVCHQBVCD-PKOBYXMFSA-N 2 2 407.530 4.278 20 0 HIADLP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000500185249 909679571 /nfs/dbraw/zinc/67/95/71/909679571.db2.gz KJCPIQMYXAENKT-QHCPKHFHSA-N 2 2 414.981 4.103 20 0 HIADLP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000500185249 909679575 /nfs/dbraw/zinc/67/95/75/909679575.db2.gz KJCPIQMYXAENKT-QHCPKHFHSA-N 2 2 414.981 4.103 20 0 HIADLP Clc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1I ZINC000500439946 909859282 /nfs/dbraw/zinc/85/92/82/909859282.db2.gz LAJJDALQDSEELC-UHFFFAOYSA-N 2 2 423.685 4.420 20 0 HIADLP Fc1cccc(N2CCCC2)c1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000513085812 921537250 /nfs/dbraw/zinc/53/72/50/921537250.db2.gz HSYRWJHMPNQMEJ-UHFFFAOYSA-N 2 2 424.608 4.114 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC000501574727 910680432 /nfs/dbraw/zinc/68/04/32/910680432.db2.gz HBBNQCIDYZKSGP-WOJBJXKFSA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@@H](C)O1 ZINC000501574727 910680445 /nfs/dbraw/zinc/68/04/45/910680445.db2.gz HBBNQCIDYZKSGP-WOJBJXKFSA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502686554 911727679 /nfs/dbraw/zinc/72/76/79/911727679.db2.gz MXDYCRKYAQCIMI-JOCHJYFZSA-N 2 2 409.622 4.247 20 0 HIADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000503055444 912020159 /nfs/dbraw/zinc/02/01/59/912020159.db2.gz WGFDSNLLTYAGQD-RHSMWYFYSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000503055444 912020182 /nfs/dbraw/zinc/02/01/82/912020182.db2.gz WGFDSNLLTYAGQD-RHSMWYFYSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000503064131 912030186 /nfs/dbraw/zinc/03/01/86/912030186.db2.gz PSLPWMCEGVAOMB-WMLDXEAASA-N 2 2 401.308 4.384 20 0 HIADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1n1cc[nH+]c1 ZINC000503064131 912030208 /nfs/dbraw/zinc/03/02/08/912030208.db2.gz PSLPWMCEGVAOMB-WMLDXEAASA-N 2 2 401.308 4.384 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2cccs2)cc1 ZINC000503076797 912048793 /nfs/dbraw/zinc/04/87/93/912048793.db2.gz QXVLFDFZRBXBPC-ZHRMCQFGSA-N 2 2 422.598 4.296 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c2cccs2)cc1 ZINC000503076797 912048812 /nfs/dbraw/zinc/04/88/12/912048812.db2.gz QXVLFDFZRBXBPC-ZHRMCQFGSA-N 2 2 422.598 4.296 20 0 HIADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507198466 915946865 /nfs/dbraw/zinc/94/68/65/915946865.db2.gz WZOACPXSPWDQCM-VQTJNVASSA-N 2 2 415.626 4.009 20 0 HIADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507198466 915946892 /nfs/dbraw/zinc/94/68/92/915946892.db2.gz WZOACPXSPWDQCM-VQTJNVASSA-N 2 2 415.626 4.009 20 0 HIADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507198465 915947464 /nfs/dbraw/zinc/94/74/64/915947464.db2.gz WZOACPXSPWDQCM-UXHICEINSA-N 2 2 415.626 4.009 20 0 HIADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000507198465 915947475 /nfs/dbraw/zinc/94/74/75/915947475.db2.gz WZOACPXSPWDQCM-UXHICEINSA-N 2 2 415.626 4.009 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000508635126 917399960 /nfs/dbraw/zinc/39/99/60/917399960.db2.gz GQSRBNBHVRQVJL-NRFANRHFSA-N 2 2 405.590 4.417 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000508635126 917399963 /nfs/dbraw/zinc/39/99/63/917399963.db2.gz GQSRBNBHVRQVJL-NRFANRHFSA-N 2 2 405.590 4.417 20 0 HIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000508676315 917440091 /nfs/dbraw/zinc/44/00/91/917440091.db2.gz ITRYZWJTOPUOMF-IBGZPJMESA-N 2 2 411.981 4.390 20 0 HIADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000508676315 917440100 /nfs/dbraw/zinc/44/01/00/917440100.db2.gz ITRYZWJTOPUOMF-IBGZPJMESA-N 2 2 411.981 4.390 20 0 HIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000508692176 917454549 /nfs/dbraw/zinc/45/45/49/917454549.db2.gz UWBTWCPYMWRZPS-HXUWFJFHSA-N 2 2 411.981 4.390 20 0 HIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000508692176 917454559 /nfs/dbraw/zinc/45/45/59/917454559.db2.gz UWBTWCPYMWRZPS-HXUWFJFHSA-N 2 2 411.981 4.390 20 0 HIADLP Clc1ccc(C2([NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)CCOCC2)cc1 ZINC000509359192 918024532 /nfs/dbraw/zinc/02/45/32/918024532.db2.gz QQMBWRVVJRGPKN-UHFFFAOYSA-N 2 2 413.993 4.148 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4ccc(Br)cc43)[nH+]c2)C1 ZINC000510686835 919125972 /nfs/dbraw/zinc/12/59/72/919125972.db2.gz VPJHIOJZENXLOB-MJGOQNOKSA-N 2 2 401.352 4.084 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000510761555 919214492 /nfs/dbraw/zinc/21/44/92/919214492.db2.gz APWFQIPKDDRBNN-FRIKZZABSA-N 2 2 400.526 4.106 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000510761555 919214524 /nfs/dbraw/zinc/21/45/24/919214524.db2.gz APWFQIPKDDRBNN-FRIKZZABSA-N 2 2 400.526 4.106 20 0 HIADLP Cc1nc2ccccc2n1C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000510783316 919245786 /nfs/dbraw/zinc/24/57/86/919245786.db2.gz YXFRSFCRUZTKLY-UHFFFAOYSA-N 2 2 417.601 4.194 20 0 HIADLP C[C@@H](c1cccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000510853704 919342567 /nfs/dbraw/zinc/34/25/67/919342567.db2.gz RGBPZWAQFYQUEW-KRWDZBQOSA-N 2 2 407.514 4.140 20 0 HIADLP CC(C)[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000510979067 919532117 /nfs/dbraw/zinc/53/21/17/919532117.db2.gz NUQAXQCHDZNMHI-XMMPIXPASA-N 2 2 401.639 4.067 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000511113128 919724613 /nfs/dbraw/zinc/72/46/13/919724613.db2.gz ASCXAVBCSAXMAI-UHFFFAOYSA-N 2 2 419.594 4.338 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000511113128 919724631 /nfs/dbraw/zinc/72/46/31/919724631.db2.gz ASCXAVBCSAXMAI-UHFFFAOYSA-N 2 2 419.594 4.338 20 0 HIADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](CCc4ccc5ccccc5c4)C3)CC2)nc1 ZINC000511615104 920269942 /nfs/dbraw/zinc/26/99/42/920269942.db2.gz IOXNDTSOSFSKQQ-XMMPIXPASA-N 2 2 414.597 4.312 20 0 HIADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](CCc4ccc5ccccc5c4)C3)CC2)nc1 ZINC000511615104 920269966 /nfs/dbraw/zinc/26/99/66/920269966.db2.gz IOXNDTSOSFSKQQ-XMMPIXPASA-N 2 2 414.597 4.312 20 0 HIADLP FC(F)(F)c1ccc(-n2cc(C[NH2+]Cc3cccc(Cn4cc[nH+]c4)c3)cn2)cc1 ZINC000512097524 920857962 /nfs/dbraw/zinc/85/79/62/920857962.db2.gz FIJMENMLIIZNPJ-UHFFFAOYSA-N 2 2 411.431 4.426 20 0 HIADLP C[N@H+](Cc1ccc(-c2cccc(Br)c2)s1)C1CC[NH+](CCO)CC1 ZINC000513567276 921900103 /nfs/dbraw/zinc/90/01/03/921900103.db2.gz FQBDDAGVHCJPGX-UHFFFAOYSA-N 2 2 409.393 4.066 20 0 HIADLP C[N@@H+](Cc1ccc(-c2cccc(Br)c2)s1)C1CC[NH+](CCO)CC1 ZINC000513567276 921900118 /nfs/dbraw/zinc/90/01/18/921900118.db2.gz FQBDDAGVHCJPGX-UHFFFAOYSA-N 2 2 409.393 4.066 20 0 HIADLP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000514233270 922570347 /nfs/dbraw/zinc/57/03/47/922570347.db2.gz XSISOXXYCVADOL-FQEVSTJZSA-N 2 2 424.992 4.180 20 0 HIADLP CC[C@H](C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000515314697 923045793 /nfs/dbraw/zinc/04/57/93/923045793.db2.gz KTJGGYNGBWHTMJ-HSZRJFAPSA-N 2 2 408.590 4.057 20 0 HIADLP CC[C@H](C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000515314697 923045799 /nfs/dbraw/zinc/04/57/99/923045799.db2.gz KTJGGYNGBWHTMJ-HSZRJFAPSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)[C@@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[NH+]1CCC(C)CC1 ZINC000515382635 923073676 /nfs/dbraw/zinc/07/36/76/923073676.db2.gz JKJKUPCDAHMYKW-LJQANCHMSA-N 2 2 407.628 4.007 20 0 HIADLP C[C@@H]([NH2+]C1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCCC1)c1ccccc1 ZINC000516202874 923596558 /nfs/dbraw/zinc/59/65/58/923596558.db2.gz QUPCXHIQZMVWQT-HXUWFJFHSA-N 2 2 402.542 4.325 20 0 HIADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000516621443 923820754 /nfs/dbraw/zinc/82/07/54/923820754.db2.gz PKHHTWURKIRDEA-IRXDYDNUSA-N 2 2 407.628 4.007 20 0 HIADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000516621443 923820756 /nfs/dbraw/zinc/82/07/56/923820756.db2.gz PKHHTWURKIRDEA-IRXDYDNUSA-N 2 2 407.628 4.007 20 0 HIADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)n2)C1 ZINC000516621443 923820762 /nfs/dbraw/zinc/82/07/62/923820762.db2.gz PKHHTWURKIRDEA-IRXDYDNUSA-N 2 2 407.628 4.007 20 0 HIADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)n2)C1 ZINC000516621443 923820768 /nfs/dbraw/zinc/82/07/68/923820768.db2.gz PKHHTWURKIRDEA-IRXDYDNUSA-N 2 2 407.628 4.007 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000517686945 926790417 /nfs/dbraw/zinc/79/04/17/926790417.db2.gz MTPWACYOVLMPDC-FQEVSTJZSA-N 2 2 417.557 4.104 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000517686945 926790435 /nfs/dbraw/zinc/79/04/35/926790435.db2.gz MTPWACYOVLMPDC-FQEVSTJZSA-N 2 2 417.557 4.104 20 0 HIADLP CCc1ccc([C@H](CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)[NH+](C)C)cc1 ZINC000519199223 927823565 /nfs/dbraw/zinc/82/35/65/927823565.db2.gz SXTYPRAVDIQBTM-CYFREDJKSA-N 2 2 424.589 4.067 20 0 HIADLP CCc1ccc([C@H](CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)[NH+](C)C)cc1 ZINC000519199224 927823706 /nfs/dbraw/zinc/82/37/06/927823706.db2.gz SXTYPRAVDIQBTM-DVECYGJZSA-N 2 2 424.589 4.067 20 0 HIADLP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000519510512 928002709 /nfs/dbraw/zinc/00/27/09/928002709.db2.gz PXYOQUPVCZMFDC-OAQYLSRUSA-N 2 2 420.384 4.377 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000519647728 928036033 /nfs/dbraw/zinc/03/60/33/928036033.db2.gz HBRLVYHMCKHACF-UHFFFAOYSA-N 2 2 414.553 4.309 20 0 HIADLP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000520287169 928449796 /nfs/dbraw/zinc/44/97/96/928449796.db2.gz JFRYYVBQSFZZFE-HSZRJFAPSA-N 2 2 423.605 4.034 20 0 HIADLP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000520601263 928665541 /nfs/dbraw/zinc/66/55/41/928665541.db2.gz KYHBDFKQSQQPCE-HXUWFJFHSA-N 2 2 424.589 4.243 20 0 HIADLP C[NH+](C)CCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)n2)cc1 ZINC000526120230 930539433 /nfs/dbraw/zinc/53/94/33/930539433.db2.gz WMWOCMUMTWHFJU-NRFANRHFSA-N 2 2 410.493 4.153 20 0 HIADLP C[NH+](C)CCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)n2)cc1 ZINC000526120230 930539444 /nfs/dbraw/zinc/53/94/44/930539444.db2.gz WMWOCMUMTWHFJU-NRFANRHFSA-N 2 2 410.493 4.153 20 0 HIADLP CC[NH+](CC)Cc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000527488377 930667764 /nfs/dbraw/zinc/66/77/64/930667764.db2.gz HYMMHCPLVCRWNO-UHFFFAOYSA-N 2 2 406.530 4.078 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000531285125 931001175 /nfs/dbraw/zinc/00/11/75/931001175.db2.gz DAWDGTZFCYYMCJ-HNAYVOBHSA-N 2 2 410.484 4.046 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531427583 931053457 /nfs/dbraw/zinc/05/34/57/931053457.db2.gz MPHCLXIVQMCRSJ-JOCHJYFZSA-N 2 2 404.514 4.286 20 0 HIADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc(Br)ccc1F ZINC000531703585 931165687 /nfs/dbraw/zinc/16/56/87/931165687.db2.gz MAVXPXVMJKIETJ-IIBYNOLFSA-N 2 2 420.370 4.228 20 0 HIADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCCNc1cccc[nH+]1 ZINC000531709580 931168834 /nfs/dbraw/zinc/16/88/34/931168834.db2.gz VHBYXHFUHXGTBY-OAHLLOKOSA-N 2 2 405.340 4.043 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000531959355 931265723 /nfs/dbraw/zinc/26/57/23/931265723.db2.gz YTQBTUWUKDTGMZ-OALUTQOASA-N 3 2 421.564 4.483 20 0 HIADLP CSc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1F ZINC000532208547 931352243 /nfs/dbraw/zinc/35/22/43/931352243.db2.gz VCSMTRKCYGUTLN-QGZVFWFLSA-N 2 2 404.551 4.109 20 0 HIADLP CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000532209926 931353295 /nfs/dbraw/zinc/35/32/95/931353295.db2.gz OJTPVVMKRVOIGJ-LJQANCHMSA-N 2 2 418.541 4.226 20 0 HIADLP CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000532209925 931353472 /nfs/dbraw/zinc/35/34/72/931353472.db2.gz OJTPVVMKRVOIGJ-IBGZPJMESA-N 2 2 418.541 4.226 20 0 HIADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OCC(=O)N(C)C ZINC000532212148 931355128 /nfs/dbraw/zinc/35/51/28/931355128.db2.gz WHPYQXUMVDPYKC-AVRDEDQJSA-N 2 2 406.530 4.141 20 0 HIADLP O=C(Nc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1)c1cccc(F)c1 ZINC000532447833 931438403 /nfs/dbraw/zinc/43/84/03/931438403.db2.gz XNGIXZIYCNIEOW-UHFFFAOYSA-N 2 2 404.489 4.232 20 0 HIADLP Cn1nnc2cc(C[NH2+]Cc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC000532479508 931454887 /nfs/dbraw/zinc/45/48/87/931454887.db2.gz ZMSUYGMDUWQLIQ-UHFFFAOYSA-N 2 2 408.509 4.170 20 0 HIADLP Cc1nn(-c2ccc(Cl)cc2)cc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000532675789 931580117 /nfs/dbraw/zinc/58/01/17/931580117.db2.gz HZXPLXVNNYSQOC-UHFFFAOYSA-N 2 2 424.980 4.372 20 0 HIADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000532747215 931621456 /nfs/dbraw/zinc/62/14/56/931621456.db2.gz LZQZYKJCBIYEOR-HCLVMJGWSA-N 2 2 402.485 4.441 20 0 HIADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000532747215 931621458 /nfs/dbraw/zinc/62/14/58/931621458.db2.gz LZQZYKJCBIYEOR-HCLVMJGWSA-N 2 2 402.485 4.441 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3cnn(-c4ccc(Cl)cc4)c3)[nH+]c2)CC1 ZINC000532866496 931671922 /nfs/dbraw/zinc/67/19/22/931671922.db2.gz UAOVEEJRBYJBNB-UHFFFAOYSA-N 2 2 410.953 4.063 20 0 HIADLP CC(C)COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533646497 931943181 /nfs/dbraw/zinc/94/31/81/931943181.db2.gz AUEKNRIVTHDDDT-RPWUZVMVSA-N 2 2 415.622 4.131 20 0 HIADLP CC(C)COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533646497 931943189 /nfs/dbraw/zinc/94/31/89/931943189.db2.gz AUEKNRIVTHDDDT-RPWUZVMVSA-N 2 2 415.622 4.131 20 0 HIADLP CN(C(=O)Cc1cccc2ccccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648675 931944184 /nfs/dbraw/zinc/94/41/84/931944184.db2.gz IXPCLTAYXNDIGS-LOSJGSFVSA-N 2 2 407.602 4.178 20 0 HIADLP CN(C(=O)Cc1cccc2ccccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648675 931944191 /nfs/dbraw/zinc/94/41/91/931944191.db2.gz IXPCLTAYXNDIGS-LOSJGSFVSA-N 2 2 407.602 4.178 20 0 HIADLP CC(C)c1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533672911 931962706 /nfs/dbraw/zinc/96/27/06/931962706.db2.gz YZXODIYJPCAUGP-DNQXCXABSA-N 2 2 414.638 4.289 20 0 HIADLP CC(C)c1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533672911 931962712 /nfs/dbraw/zinc/96/27/12/931962712.db2.gz YZXODIYJPCAUGP-DNQXCXABSA-N 2 2 414.638 4.289 20 0 HIADLP CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1Cl ZINC000533785862 932032625 /nfs/dbraw/zinc/03/26/25/932032625.db2.gz ZQJVZKWDYGMSHR-IBGZPJMESA-N 2 2 400.394 4.367 20 0 HIADLP CCSc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000533785636 932032645 /nfs/dbraw/zinc/03/26/45/932032645.db2.gz JOYPXJYIPJGBAJ-IBGZPJMESA-N 2 2 400.588 4.360 20 0 HIADLP C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000533881481 932078771 /nfs/dbraw/zinc/07/87/71/932078771.db2.gz YFPYENDQIJBSCG-IBGZPJMESA-N 2 2 407.562 4.235 20 0 HIADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000533881481 932078777 /nfs/dbraw/zinc/07/87/77/932078777.db2.gz YFPYENDQIJBSCG-IBGZPJMESA-N 2 2 407.562 4.235 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000534359567 932392979 /nfs/dbraw/zinc/39/29/79/932392979.db2.gz KOKZBZYZGCRUAS-LEOXJPRUSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000534359567 932392981 /nfs/dbraw/zinc/39/29/81/932392981.db2.gz KOKZBZYZGCRUAS-LEOXJPRUSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000534359571 932393126 /nfs/dbraw/zinc/39/31/26/932393126.db2.gz KOKZBZYZGCRUAS-YSZBQJHXSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000534359571 932393131 /nfs/dbraw/zinc/39/31/31/932393131.db2.gz KOKZBZYZGCRUAS-YSZBQJHXSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000534360690 932393819 /nfs/dbraw/zinc/39/38/19/932393819.db2.gz PDVYRFRCSONNPB-JQHSSLGASA-N 2 2 412.043 4.301 20 0 HIADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000534360690 932393823 /nfs/dbraw/zinc/39/38/23/932393823.db2.gz PDVYRFRCSONNPB-JQHSSLGASA-N 2 2 412.043 4.301 20 0 HIADLP CN(C(=O)c1cc(Cl)sc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361140 932394705 /nfs/dbraw/zinc/39/47/05/932394705.db2.gz SYEJEXHGQWVJMT-HZPDHXFCSA-N 2 2 418.434 4.464 20 0 HIADLP CN(C(=O)c1cc(Cl)sc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361140 932394707 /nfs/dbraw/zinc/39/47/07/932394707.db2.gz SYEJEXHGQWVJMT-HZPDHXFCSA-N 2 2 418.434 4.464 20 0 HIADLP Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc21 ZINC000534360891 932394951 /nfs/dbraw/zinc/39/49/51/932394951.db2.gz RSEYIKZQIRBMFW-GOTSBHOMSA-N 2 2 414.569 4.025 20 0 HIADLP Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc21 ZINC000534360891 932394958 /nfs/dbraw/zinc/39/49/58/932394958.db2.gz RSEYIKZQIRBMFW-GOTSBHOMSA-N 2 2 414.569 4.025 20 0 HIADLP CN(C(=O)c1csc2c1CCCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361017 932395356 /nfs/dbraw/zinc/39/53/56/932395356.db2.gz AZWZYSPTYLMYMB-LEWJYISDSA-N 2 2 403.636 4.036 20 0 HIADLP CN(C(=O)c1csc2c1CCCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361017 932395359 /nfs/dbraw/zinc/39/53/59/932395359.db2.gz AZWZYSPTYLMYMB-LEWJYISDSA-N 2 2 403.636 4.036 20 0 HIADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)ccc1F ZINC000534455563 932471196 /nfs/dbraw/zinc/47/11/96/932471196.db2.gz NMUNAWIOKMICFQ-UHFFFAOYSA-N 2 2 408.308 4.065 20 0 HIADLP Cc1nc(C(C)(C)C)sc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093779 932907254 /nfs/dbraw/zinc/90/72/54/932907254.db2.gz DXLYHCZDQZPTQN-OALUTQOASA-N 2 2 420.667 4.158 20 0 HIADLP Cc1nc(C(C)(C)C)sc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093779 932907262 /nfs/dbraw/zinc/90/72/62/932907262.db2.gz DXLYHCZDQZPTQN-OALUTQOASA-N 2 2 420.667 4.158 20 0 HIADLP Cc1cc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c(C)c1 ZINC000535096342 932910522 /nfs/dbraw/zinc/91/05/22/932910522.db2.gz SOBWSDUUNJSQCU-BJKOFHAPSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1cc2[nH]c(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c(C)c1 ZINC000535096342 932910531 /nfs/dbraw/zinc/91/05/31/932910531.db2.gz SOBWSDUUNJSQCU-BJKOFHAPSA-N 2 2 410.606 4.194 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000535095916 932911676 /nfs/dbraw/zinc/91/16/76/932911676.db2.gz LMLFEPAVLMTUAK-SXSPYAJSSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000535095916 932911685 /nfs/dbraw/zinc/91/16/85/932911685.db2.gz LMLFEPAVLMTUAK-SXSPYAJSSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000535122662 932940282 /nfs/dbraw/zinc/94/02/82/932940282.db2.gz WCGNVZHJZYILMQ-URZJWIJPSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000535122662 932940283 /nfs/dbraw/zinc/94/02/83/932940283.db2.gz WCGNVZHJZYILMQ-URZJWIJPSA-N 2 2 422.564 4.004 20 0 HIADLP CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848797 933429413 /nfs/dbraw/zinc/42/94/13/933429413.db2.gz CLGWUJLNKQVODP-BWPNAZKDSA-N 2 2 417.560 4.151 20 0 HIADLP CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848797 933429425 /nfs/dbraw/zinc/42/94/25/933429425.db2.gz CLGWUJLNKQVODP-BWPNAZKDSA-N 2 2 417.560 4.151 20 0 HIADLP CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848989 933430394 /nfs/dbraw/zinc/43/03/94/933430394.db2.gz JEELNPPSYZOZOB-OALUTQOASA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848989 933430399 /nfs/dbraw/zinc/43/03/99/933430399.db2.gz JEELNPPSYZOZOB-OALUTQOASA-N 2 2 412.405 4.403 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850727 933432662 /nfs/dbraw/zinc/43/26/62/933432662.db2.gz LXEYSQTWFPGBGG-BJKOFHAPSA-N 2 2 408.590 4.091 20 0 HIADLP CN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850727 933432671 /nfs/dbraw/zinc/43/26/71/933432671.db2.gz LXEYSQTWFPGBGG-BJKOFHAPSA-N 2 2 408.590 4.091 20 0 HIADLP Cc1nc(-c2ccco2)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850887 933434289 /nfs/dbraw/zinc/43/42/89/933434289.db2.gz UXWUPQWIYFSULU-DHIUTWEWSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1nc(-c2ccco2)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850887 933434296 /nfs/dbraw/zinc/43/42/96/933434296.db2.gz UXWUPQWIYFSULU-DHIUTWEWSA-N 2 2 424.589 4.059 20 0 HIADLP CN(C(=O)c1cc2c(s1)CCCC2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851565 933434585 /nfs/dbraw/zinc/43/45/85/933434585.db2.gz GPMKMRXHELXSAI-VQTJNVASSA-N 2 2 403.636 4.036 20 0 HIADLP CN(C(=O)c1cc2c(s1)CCCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851565 933434590 /nfs/dbraw/zinc/43/45/90/933434590.db2.gz GPMKMRXHELXSAI-VQTJNVASSA-N 2 2 403.636 4.036 20 0 HIADLP CN(C(=O)c1cc2cc(F)ccc2s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851818 933436051 /nfs/dbraw/zinc/43/60/51/933436051.db2.gz RONXPPNKOLCKMT-PMACEKPBSA-N 2 2 417.594 4.450 20 0 HIADLP CN(C(=O)c1cc2cc(F)ccc2s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851818 933436054 /nfs/dbraw/zinc/43/60/54/933436054.db2.gz RONXPPNKOLCKMT-PMACEKPBSA-N 2 2 417.594 4.450 20 0 HIADLP CC[N@H+](Cc1cnc2c(C)cccn12)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537627515 938339360 /nfs/dbraw/zinc/33/93/60/938339360.db2.gz VWSIRJVCTMPAHE-UHFFFAOYSA-N 2 2 406.578 4.355 20 0 HIADLP CC[N@@H+](Cc1cnc2c(C)cccn12)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537627515 938339363 /nfs/dbraw/zinc/33/93/63/938339363.db2.gz VWSIRJVCTMPAHE-UHFFFAOYSA-N 2 2 406.578 4.355 20 0 HIADLP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccccc1O2 ZINC000538293940 938585043 /nfs/dbraw/zinc/58/50/43/938585043.db2.gz MTOLEYIYCMKHCP-HSZRJFAPSA-N 2 2 416.569 4.204 20 0 HIADLP CCOc1cccc2cc([C@H](C)[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)oc21 ZINC000538398778 938611171 /nfs/dbraw/zinc/61/11/71/938611171.db2.gz TZSWSYCRILEZCG-IBGZPJMESA-N 2 2 424.541 4.393 20 0 HIADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCO1 ZINC000538507771 938638221 /nfs/dbraw/zinc/63/82/21/938638221.db2.gz CWWGYFROTYNDMM-FPOVZHCZSA-N 2 2 413.528 4.011 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4c3c(Br)ccc4F)[nH+]c2)C1 ZINC000538556393 938648524 /nfs/dbraw/zinc/64/85/24/938648524.db2.gz AOWUHZNOJVBBLE-RDTXWAMCSA-N 2 2 419.342 4.223 20 0 HIADLP CCCCCn1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000538583916 938655420 /nfs/dbraw/zinc/65/54/20/938655420.db2.gz NKDWTOXWNORPSN-UHFFFAOYSA-N 2 2 410.606 4.120 20 0 HIADLP C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539021179 938771425 /nfs/dbraw/zinc/77/14/25/938771425.db2.gz UWUQMPUCPXKHBD-FQEVSTJZSA-N 2 2 402.542 4.147 20 0 HIADLP CCC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000539043099 938779291 /nfs/dbraw/zinc/77/92/91/938779291.db2.gz PZPNVIAYMQFXOT-UHFFFAOYSA-N 3 2 406.618 4.328 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000539046358 938781481 /nfs/dbraw/zinc/78/14/81/938781481.db2.gz KIDKZGGYXOSYOH-NLFFAJNJSA-N 2 2 414.553 4.334 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000539046358 938781486 /nfs/dbraw/zinc/78/14/86/938781486.db2.gz KIDKZGGYXOSYOH-NLFFAJNJSA-N 2 2 414.553 4.334 20 0 HIADLP Clc1ccc([C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000539200660 938818541 /nfs/dbraw/zinc/81/85/41/938818541.db2.gz UMSQFRIFXUDAQH-QHCPKHFHSA-N 2 2 400.950 4.292 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000539394758 938853891 /nfs/dbraw/zinc/85/38/91/938853891.db2.gz ZDWDHAXQGIAQNM-NQHRYMMQSA-N 3 2 419.613 4.475 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000539394758 938853893 /nfs/dbraw/zinc/85/38/93/938853893.db2.gz ZDWDHAXQGIAQNM-NQHRYMMQSA-N 3 2 419.613 4.475 20 0 HIADLP Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000539454652 938862970 /nfs/dbraw/zinc/86/29/70/938862970.db2.gz NHOSCASFLOUCAJ-PMACEKPBSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1Cl ZINC000539454652 938862972 /nfs/dbraw/zinc/86/29/72/938862972.db2.gz NHOSCASFLOUCAJ-PMACEKPBSA-N 2 2 407.002 4.449 20 0 HIADLP COc1c(Br)cc(Br)cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000539835050 938953017 /nfs/dbraw/zinc/95/30/17/938953017.db2.gz RKRVOUKTRBRXPE-SMDDNHRTSA-N 2 2 420.189 4.135 20 0 HIADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000539835050 938953022 /nfs/dbraw/zinc/95/30/22/938953022.db2.gz RKRVOUKTRBRXPE-SMDDNHRTSA-N 2 2 420.189 4.135 20 0 HIADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000539835050 938953026 /nfs/dbraw/zinc/95/30/26/938953026.db2.gz RKRVOUKTRBRXPE-SMDDNHRTSA-N 2 2 420.189 4.135 20 0 HIADLP COc1c(Br)cc(Br)cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000539835050 938953030 /nfs/dbraw/zinc/95/30/30/938953030.db2.gz RKRVOUKTRBRXPE-SMDDNHRTSA-N 2 2 420.189 4.135 20 0 HIADLP CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539889112 938967323 /nfs/dbraw/zinc/96/73/23/938967323.db2.gz UFDBJRJXWCIJPK-VXKWHMMOSA-N 2 2 414.981 4.071 20 0 HIADLP CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000539889112 938967329 /nfs/dbraw/zinc/96/73/29/938967329.db2.gz UFDBJRJXWCIJPK-VXKWHMMOSA-N 2 2 414.981 4.071 20 0 HIADLP COc1ccc(-c2ccccc2)cc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000539963324 938981921 /nfs/dbraw/zinc/98/19/21/938981921.db2.gz SHNJRXUERBXWIC-AREMUKBSSA-N 2 2 415.581 4.441 20 0 HIADLP COc1ccccc1[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000540264031 939177656 /nfs/dbraw/zinc/17/76/56/939177656.db2.gz AIAIPVKKSJQGOY-RUZDIDTESA-N 2 2 421.585 4.104 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000540410509 939239246 /nfs/dbraw/zinc/23/92/46/939239246.db2.gz ONBVAIUFTGSSMW-IRXDYDNUSA-N 2 2 423.536 4.028 20 0 HIADLP CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)oc21 ZINC000540596659 939315140 /nfs/dbraw/zinc/31/51/40/939315140.db2.gz UYLIOXNGJKPGIG-IBGZPJMESA-N 2 2 424.541 4.393 20 0 HIADLP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540754651 939359822 /nfs/dbraw/zinc/35/98/22/939359822.db2.gz WGXMZTVVTAAMFM-HFZDXXHNSA-N 2 2 424.548 4.451 20 0 HIADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1Br ZINC000540757147 939361668 /nfs/dbraw/zinc/36/16/68/939361668.db2.gz ZMJBABBGSNIVGE-RHSMWYFYSA-N 2 2 419.367 4.166 20 0 HIADLP Cc1cccc(NC(=O)C[C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1C ZINC000540787590 939372494 /nfs/dbraw/zinc/37/24/94/939372494.db2.gz RQKCEHZXCMCOMH-GOSISDBHSA-N 2 2 409.578 4.058 20 0 HIADLP CSC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000540991714 939426624 /nfs/dbraw/zinc/42/66/24/939426624.db2.gz KELYQTULOFWOTA-SFTDATJTSA-N 2 2 424.532 4.336 20 0 HIADLP CSC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000540991714 939426626 /nfs/dbraw/zinc/42/66/26/939426626.db2.gz KELYQTULOFWOTA-SFTDATJTSA-N 2 2 424.532 4.336 20 0 HIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c1 ZINC000541208603 939485699 /nfs/dbraw/zinc/48/56/99/939485699.db2.gz KNYFVQVLFDJTLI-UHFFFAOYSA-N 2 2 401.917 4.190 20 0 HIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c1 ZINC000541208603 939485700 /nfs/dbraw/zinc/48/57/00/939485700.db2.gz KNYFVQVLFDJTLI-UHFFFAOYSA-N 2 2 401.917 4.190 20 0 HIADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541408693 939508140 /nfs/dbraw/zinc/50/81/40/939508140.db2.gz YLOUJOKYEHORNK-JOCHJYFZSA-N 2 2 420.601 4.274 20 0 HIADLP C[C@H]([NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000563698714 945256601 /nfs/dbraw/zinc/25/66/01/945256601.db2.gz SNGGTBQCZFJAFT-GAJHUEQPSA-N 2 2 407.558 4.141 20 0 HIADLP C[C@H]([NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000563698714 945256624 /nfs/dbraw/zinc/25/66/24/945256624.db2.gz SNGGTBQCZFJAFT-GAJHUEQPSA-N 2 2 407.558 4.141 20 0 HIADLP CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000541537644 939547169 /nfs/dbraw/zinc/54/71/69/939547169.db2.gz YHPXCFBFUQEXGK-UHFFFAOYSA-N 2 2 408.571 4.451 20 0 HIADLP CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000541537644 939547173 /nfs/dbraw/zinc/54/71/73/939547173.db2.gz YHPXCFBFUQEXGK-UHFFFAOYSA-N 2 2 408.571 4.451 20 0 HIADLP C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603390 939566854 /nfs/dbraw/zinc/56/68/54/939566854.db2.gz SVVNLCBNZVIJAF-JKSUJKDBSA-N 2 2 423.395 4.353 20 0 HIADLP C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603390 939566857 /nfs/dbraw/zinc/56/68/57/939566857.db2.gz SVVNLCBNZVIJAF-JKSUJKDBSA-N 2 2 423.395 4.353 20 0 HIADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000542067584 939702329 /nfs/dbraw/zinc/70/23/29/939702329.db2.gz SVXJIUPDEMSEBU-NHCUHLMSSA-N 2 2 411.993 4.093 20 0 HIADLP CN(C(=O)c1ccccc1C(F)(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178634 939746257 /nfs/dbraw/zinc/74/62/57/939746257.db2.gz DKWITQSPUPFYSM-WOJBJXKFSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1ccccc1C(F)(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178634 939746260 /nfs/dbraw/zinc/74/62/60/939746260.db2.gz DKWITQSPUPFYSM-WOJBJXKFSA-N 2 2 411.512 4.115 20 0 HIADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3nc(C4CC4)cs3)CC2)c1C ZINC000542263957 939776571 /nfs/dbraw/zinc/77/65/71/939776571.db2.gz PTTREKKFRNFWDQ-UHFFFAOYSA-N 2 2 400.592 4.137 20 0 HIADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3nc(C4CC4)cs3)CC2)c1C ZINC000542263957 939776574 /nfs/dbraw/zinc/77/65/74/939776574.db2.gz PTTREKKFRNFWDQ-UHFFFAOYSA-N 2 2 400.592 4.137 20 0 HIADLP Brc1cccc(N2CC[C@H](C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)c1 ZINC000542320078 939800006 /nfs/dbraw/zinc/80/00/06/939800006.db2.gz SGMNGIRZEDHKIL-OAHLLOKOSA-N 2 2 417.376 4.312 20 0 HIADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000542471415 939828643 /nfs/dbraw/zinc/82/86/43/939828643.db2.gz BKAIBHYERSZBOU-SSPYTLHUSA-N 2 2 413.631 4.103 20 0 HIADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000542471415 939828645 /nfs/dbraw/zinc/82/86/45/939828645.db2.gz BKAIBHYERSZBOU-SSPYTLHUSA-N 2 2 413.631 4.103 20 0 HIADLP Cc1cc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2cccnc2)ccc1F ZINC000542478712 939830223 /nfs/dbraw/zinc/83/02/23/939830223.db2.gz NJFWPWHILRAQTJ-RUZDIDTESA-N 2 2 405.517 4.241 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000542660117 939852207 /nfs/dbraw/zinc/85/22/07/939852207.db2.gz CZUHIAQXSWHVLY-GOTSBHOMSA-N 2 2 409.555 4.055 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000542667249 939852784 /nfs/dbraw/zinc/85/27/84/939852784.db2.gz HGKJRRJOQBKWII-MDNUFGMLSA-N 2 2 406.636 4.038 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000542667249 939852785 /nfs/dbraw/zinc/85/27/85/939852785.db2.gz HGKJRRJOQBKWII-MDNUFGMLSA-N 2 2 406.636 4.038 20 0 HIADLP CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1 ZINC000542705648 939855625 /nfs/dbraw/zinc/85/56/25/939855625.db2.gz AEJKKJJLFZWCJZ-UHFFFAOYSA-N 2 2 417.557 4.169 20 0 HIADLP CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccccc2)c1 ZINC000543231070 940002872 /nfs/dbraw/zinc/00/28/72/940002872.db2.gz KPHLFNUTGOCPAA-JOCHJYFZSA-N 2 2 423.563 4.217 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000543397577 940050952 /nfs/dbraw/zinc/05/09/52/940050952.db2.gz VQRRWSXBDYRTTL-UHFFFAOYSA-N 2 2 400.530 4.319 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000543397577 940050955 /nfs/dbraw/zinc/05/09/55/940050955.db2.gz VQRRWSXBDYRTTL-UHFFFAOYSA-N 2 2 400.530 4.319 20 0 HIADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000543429949 940061750 /nfs/dbraw/zinc/06/17/50/940061750.db2.gz RFXKQGLPZPIMQL-NOZRDPDXSA-N 2 2 405.517 4.057 20 0 HIADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000543429949 940061751 /nfs/dbraw/zinc/06/17/51/940061751.db2.gz RFXKQGLPZPIMQL-NOZRDPDXSA-N 2 2 405.517 4.057 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000543591151 940123021 /nfs/dbraw/zinc/12/30/21/940123021.db2.gz DNTZKRZCMSNKHW-BJKOFHAPSA-N 2 2 418.647 4.467 20 0 HIADLP CCN1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543870643 940218332 /nfs/dbraw/zinc/21/83/32/940218332.db2.gz IWRIZGQBEGIZJE-IFMALSPDSA-N 2 2 400.448 4.215 20 0 HIADLP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cccs1 ZINC000543988558 940285471 /nfs/dbraw/zinc/28/54/71/940285471.db2.gz BHGJKEKKNUOIAO-OAQYLSRUSA-N 2 2 402.608 4.340 20 0 HIADLP CC[N@H+](CCCC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000544069635 940316698 /nfs/dbraw/zinc/31/66/98/940316698.db2.gz IYEIREKTUGVJKC-UHFFFAOYSA-N 2 2 404.599 4.321 20 0 HIADLP CC[N@@H+](CCCC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000544069635 940316703 /nfs/dbraw/zinc/31/67/03/940316703.db2.gz IYEIREKTUGVJKC-UHFFFAOYSA-N 2 2 404.599 4.321 20 0 HIADLP CCN1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000544174978 940344419 /nfs/dbraw/zinc/34/44/19/940344419.db2.gz PYBOJFBOQYMEKD-ICSRJNTNSA-N 2 2 406.477 4.276 20 0 HIADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000544386198 940408233 /nfs/dbraw/zinc/40/82/33/940408233.db2.gz RLDNCRYAZVEXET-ILBGXUMGSA-N 2 2 405.517 4.057 20 0 HIADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000544386198 940408234 /nfs/dbraw/zinc/40/82/34/940408234.db2.gz RLDNCRYAZVEXET-ILBGXUMGSA-N 2 2 405.517 4.057 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420684 940420345 /nfs/dbraw/zinc/42/03/45/940420345.db2.gz AXNZXNSFTPUBBF-PZJWPPBQSA-N 2 2 419.569 4.099 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420684 940420348 /nfs/dbraw/zinc/42/03/48/940420348.db2.gz AXNZXNSFTPUBBF-PZJWPPBQSA-N 2 2 419.569 4.099 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544420682 940420612 /nfs/dbraw/zinc/42/06/12/940420612.db2.gz AXNZXNSFTPUBBF-CTNGQTDRSA-N 2 2 419.569 4.099 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544420682 940420615 /nfs/dbraw/zinc/42/06/15/940420615.db2.gz AXNZXNSFTPUBBF-CTNGQTDRSA-N 2 2 419.569 4.099 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000544561552 940479636 /nfs/dbraw/zinc/47/96/36/940479636.db2.gz OSHDLSIGQDZEBO-IBGZPJMESA-N 2 2 417.557 4.038 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000544561552 940479642 /nfs/dbraw/zinc/47/96/42/940479642.db2.gz OSHDLSIGQDZEBO-IBGZPJMESA-N 2 2 417.557 4.038 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000545204751 940555789 /nfs/dbraw/zinc/55/57/89/940555789.db2.gz PRCVGLRCXCUSNM-UHFFFAOYSA-N 2 2 413.543 4.064 20 0 HIADLP c1cn(-c2cccc(-c3noc(-c4ccc(C[NH+]5CCSCC5)cc4)n3)c2)c[nH+]1 ZINC000546403942 940812009 /nfs/dbraw/zinc/81/20/09/940812009.db2.gz YOKYSVAOMMNCOB-UHFFFAOYSA-N 2 2 403.511 4.138 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(-c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)cc2)C[C@@H](C)O1 ZINC000547109960 941000153 /nfs/dbraw/zinc/00/01/53/941000153.db2.gz RCWWEUYVGBYZOY-QZTJIDSGSA-N 2 2 415.497 4.199 20 0 HIADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548931709 941130357 /nfs/dbraw/zinc/13/03/57/941130357.db2.gz YFAZDMYBWIHCRA-AUSIDOKSSA-N 2 2 411.565 4.235 20 0 HIADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548931709 941130359 /nfs/dbraw/zinc/13/03/59/941130359.db2.gz YFAZDMYBWIHCRA-AUSIDOKSSA-N 2 2 411.565 4.235 20 0 HIADLP Cc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(-c2cnn(C)c2)c1 ZINC000548981198 941138563 /nfs/dbraw/zinc/13/85/63/941138563.db2.gz RBIZDNLLQRLDNO-UHFFFAOYSA-N 2 2 406.496 4.290 20 0 HIADLP CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549007640 941142460 /nfs/dbraw/zinc/14/24/60/941142460.db2.gz UDSMBSBNQBNIOZ-FQUZAXHOSA-N 2 2 411.634 4.148 20 0 HIADLP CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549007640 941142463 /nfs/dbraw/zinc/14/24/63/941142463.db2.gz UDSMBSBNQBNIOZ-FQUZAXHOSA-N 2 2 411.634 4.148 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000549167886 941167819 /nfs/dbraw/zinc/16/78/19/941167819.db2.gz XQAHGPGLGAYZHI-ZEQRLZLVSA-N 2 2 405.586 4.071 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000549167886 941167821 /nfs/dbraw/zinc/16/78/21/941167821.db2.gz XQAHGPGLGAYZHI-ZEQRLZLVSA-N 2 2 405.586 4.071 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C[C@@H]1c1ccccc1 ZINC000550797146 941367783 /nfs/dbraw/zinc/36/77/83/941367783.db2.gz MVQSIJQEWQUNLW-VQTJNVASSA-N 2 2 401.348 4.309 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)C[C@@H]1c1ccccc1 ZINC000550797146 941367788 /nfs/dbraw/zinc/36/77/88/941367788.db2.gz MVQSIJQEWQUNLW-VQTJNVASSA-N 2 2 401.348 4.309 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000551030043 941397750 /nfs/dbraw/zinc/39/77/50/941397750.db2.gz DYGLFRCTKAIKIZ-KIVTUJJHSA-N 3 2 410.581 4.064 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000551030043 941397752 /nfs/dbraw/zinc/39/77/52/941397752.db2.gz DYGLFRCTKAIKIZ-KIVTUJJHSA-N 3 2 410.581 4.064 20 0 HIADLP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000551030043 941397755 /nfs/dbraw/zinc/39/77/55/941397755.db2.gz DYGLFRCTKAIKIZ-KIVTUJJHSA-N 2 2 410.581 4.064 20 0 HIADLP Clc1ccc([C@@H]2CCCCC[C@H]2[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000551811952 941550321 /nfs/dbraw/zinc/55/03/21/941550321.db2.gz ISSKMKXFSGMVJY-BJKOFHAPSA-N 2 2 420.041 4.143 20 0 HIADLP C[C@@H]1C[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000553163137 941842914 /nfs/dbraw/zinc/84/29/14/941842914.db2.gz GNWNBHCUACKMGD-PTUXOGIPSA-N 2 2 402.542 4.101 20 0 HIADLP C[C@@H]1C[C@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000553163137 941842915 /nfs/dbraw/zinc/84/29/15/941842915.db2.gz GNWNBHCUACKMGD-PTUXOGIPSA-N 2 2 402.542 4.101 20 0 HIADLP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000554680743 942196307 /nfs/dbraw/zinc/19/63/07/942196307.db2.gz KOMAJBPDYMODAK-INIZCTEOSA-N 2 2 408.468 4.421 20 0 HIADLP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554840906 942277528 /nfs/dbraw/zinc/27/75/28/942277528.db2.gz HWXRZIPDDIUFLW-HSZRJFAPSA-N 2 2 411.565 4.065 20 0 HIADLP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554840906 942277538 /nfs/dbraw/zinc/27/75/38/942277538.db2.gz HWXRZIPDDIUFLW-HSZRJFAPSA-N 2 2 411.565 4.065 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000554967233 942337368 /nfs/dbraw/zinc/33/73/68/942337368.db2.gz QHIAHFAYUQKCKW-UHFFFAOYSA-N 2 2 407.436 4.281 20 0 HIADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)c2ccccc2)CC1 ZINC000555702961 942705940 /nfs/dbraw/zinc/70/59/40/942705940.db2.gz SSABGGNZIMTVCT-HSZRJFAPSA-N 2 2 413.993 4.207 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1=O ZINC000556241781 942825016 /nfs/dbraw/zinc/82/50/16/942825016.db2.gz SBWNLXJNKRLGDD-JMBSJVKXSA-N 2 2 409.549 4.303 20 0 HIADLP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1=O ZINC000556241781 942825019 /nfs/dbraw/zinc/82/50/19/942825019.db2.gz SBWNLXJNKRLGDD-JMBSJVKXSA-N 2 2 409.549 4.303 20 0 HIADLP C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000556261915 942828079 /nfs/dbraw/zinc/82/80/79/942828079.db2.gz VWPBBKNVBKEXNU-INIZCTEOSA-N 2 2 403.935 4.040 20 0 HIADLP Fc1ccc2c(c1)onc2C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000558466853 943567736 /nfs/dbraw/zinc/56/77/36/943567736.db2.gz RQFSLCLAOXLAOZ-QFIPXVFZSA-N 2 2 423.532 4.437 20 0 HIADLP Fc1ccc2c(c1)onc2C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000558466853 943567740 /nfs/dbraw/zinc/56/77/40/943567740.db2.gz RQFSLCLAOXLAOZ-QFIPXVFZSA-N 2 2 423.532 4.437 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000558485549 943571802 /nfs/dbraw/zinc/57/18/02/943571802.db2.gz DQCKMIIBBVMFOG-JXFKEZNVSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000558485549 943571806 /nfs/dbraw/zinc/57/18/06/943571806.db2.gz DQCKMIIBBVMFOG-JXFKEZNVSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000558485552 943572221 /nfs/dbraw/zinc/57/22/21/943572221.db2.gz DQCKMIIBBVMFOG-UZLBHIALSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000558485552 943572225 /nfs/dbraw/zinc/57/22/25/943572225.db2.gz DQCKMIIBBVMFOG-UZLBHIALSA-N 2 2 413.363 4.097 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccccc2Br)C[C@H]1c1ccccc1 ZINC000559829977 944062907 /nfs/dbraw/zinc/06/29/07/944062907.db2.gz AFHPUPCXMQRHSI-YYWHXJBOSA-N 2 2 403.364 4.298 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)c2ccccc2Br)C[C@H]1c1ccccc1 ZINC000559829977 944062916 /nfs/dbraw/zinc/06/29/16/944062916.db2.gz AFHPUPCXMQRHSI-YYWHXJBOSA-N 2 2 403.364 4.298 20 0 HIADLP CC[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(F)cc1F ZINC000561159538 944489775 /nfs/dbraw/zinc/48/97/75/944489775.db2.gz DCUXIEFEBAHNBN-NRFANRHFSA-N 2 2 419.541 4.193 20 0 HIADLP COc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)o2)cc1 ZINC000564404241 945558433 /nfs/dbraw/zinc/55/84/33/945558433.db2.gz NXNCGIALZNZRJY-FCHUYYIVSA-N 2 2 403.526 4.304 20 0 HIADLP COc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)o2)cc1 ZINC000564404241 945558439 /nfs/dbraw/zinc/55/84/39/945558439.db2.gz NXNCGIALZNZRJY-FCHUYYIVSA-N 2 2 403.526 4.304 20 0 HIADLP COc1ccc(-c2cnc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)o2)cc1 ZINC000564404241 945558447 /nfs/dbraw/zinc/55/84/47/945558447.db2.gz NXNCGIALZNZRJY-FCHUYYIVSA-N 2 2 403.526 4.304 20 0 HIADLP COc1ccc(-c2cnc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)o2)cc1 ZINC000564404241 945558465 /nfs/dbraw/zinc/55/84/65/945558465.db2.gz NXNCGIALZNZRJY-FCHUYYIVSA-N 2 2 403.526 4.304 20 0 HIADLP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000564743454 945744683 /nfs/dbraw/zinc/74/46/83/945744683.db2.gz RKNGDTQOUKHHIK-UYAOXDASSA-N 2 2 421.006 4.004 20 0 HIADLP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564743454 945744695 /nfs/dbraw/zinc/74/46/95/945744695.db2.gz RKNGDTQOUKHHIK-UYAOXDASSA-N 2 2 421.006 4.004 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000565369423 945817573 /nfs/dbraw/zinc/81/75/73/945817573.db2.gz XHQXHFMVHXSWTB-RPWUZVMVSA-N 2 2 423.582 4.115 20 0 HIADLP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000565803531 945887822 /nfs/dbraw/zinc/88/78/22/945887822.db2.gz APHTUXQXFBKENT-UHFFFAOYSA-N 2 2 411.377 4.075 20 0 HIADLP Cc1nc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1-c1ccccc1 ZINC000566708533 946079230 /nfs/dbraw/zinc/07/92/30/946079230.db2.gz VDBZMYYJHKVXGF-UHFFFAOYSA-N 2 2 421.589 4.129 20 0 HIADLP C[NH+](C)C[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(Cl)cc1 ZINC000566750462 946085809 /nfs/dbraw/zinc/08/58/09/946085809.db2.gz RHTHLVYYLGOXEY-GOSISDBHSA-N 2 2 421.998 4.207 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000569055019 946812343 /nfs/dbraw/zinc/81/23/43/946812343.db2.gz WNIFSOSYGQJYNJ-PXNSSMCTSA-N 2 2 404.938 4.025 20 0 HIADLP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000569837924 947016386 /nfs/dbraw/zinc/01/63/86/947016386.db2.gz MBPVAXRVFYYJMK-SFTDATJTSA-N 2 2 416.610 4.026 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000570011253 947073443 /nfs/dbraw/zinc/07/34/43/947073443.db2.gz ARIFZFYULWXMMJ-MRXNPFEDSA-N 2 2 419.928 4.073 20 0 HIADLP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000570480192 947261330 /nfs/dbraw/zinc/26/13/30/947261330.db2.gz HUAWXCGRPRIJMU-UHFFFAOYSA-N 2 2 413.566 4.082 20 0 HIADLP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3csc(COc4ccccc4)n3)cc2)CC1 ZINC000571783181 947782300 /nfs/dbraw/zinc/78/23/00/947782300.db2.gz AIXNDZVEXFPJHB-UHFFFAOYSA-N 2 2 423.582 4.485 20 0 HIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000572827769 948020274 /nfs/dbraw/zinc/02/02/74/948020274.db2.gz HTTYPJMTGOUIFY-JJXTWPQTSA-N 2 2 421.585 4.096 20 0 HIADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000572827769 948020283 /nfs/dbraw/zinc/02/02/83/948020283.db2.gz HTTYPJMTGOUIFY-JJXTWPQTSA-N 2 2 421.585 4.096 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000573110365 948080455 /nfs/dbraw/zinc/08/04/55/948080455.db2.gz VIHNPJYYHJDIKG-FPOVZHCZSA-N 2 2 413.993 4.319 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000573110365 948080471 /nfs/dbraw/zinc/08/04/71/948080471.db2.gz VIHNPJYYHJDIKG-FPOVZHCZSA-N 2 2 413.993 4.319 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@@H](C)c3ccccc3Cl)C2)s1 ZINC000574486319 948456161 /nfs/dbraw/zinc/45/61/61/948456161.db2.gz ZMKUVMSVQBUZDR-ZWKOTPCHSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@@H](C)c3ccccc3Cl)C2)s1 ZINC000574486319 948456174 /nfs/dbraw/zinc/45/61/74/948456174.db2.gz ZMKUVMSVQBUZDR-ZWKOTPCHSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H](C)c3ccccc3Cl)C2)s1 ZINC000574486319 948456182 /nfs/dbraw/zinc/45/61/82/948456182.db2.gz ZMKUVMSVQBUZDR-ZWKOTPCHSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@H](C)c3ccccc3Cl)C2)s1 ZINC000574486319 948456194 /nfs/dbraw/zinc/45/61/94/948456194.db2.gz ZMKUVMSVQBUZDR-ZWKOTPCHSA-N 2 2 420.022 4.341 20 0 HIADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)[nH+]c2c1 ZINC001164834676 720567237 /nfs/dbraw/zinc/56/72/37/720567237.db2.gz FRKKJKWSSUPHBZ-DCLXLUIPSA-N 2 2 419.573 4.126 20 0 HIADLP COc1ccc2c(C)cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)[nH+]c2c1 ZINC001164834676 720567246 /nfs/dbraw/zinc/56/72/46/720567246.db2.gz FRKKJKWSSUPHBZ-DCLXLUIPSA-N 2 2 419.573 4.126 20 0 HIADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)[nH+]c(C(C)(C)C)n4)CC3)C2)cc1 ZINC001164939161 721931766 /nfs/dbraw/zinc/93/17/66/721931766.db2.gz JPQFXCDGVOYADB-UHFFFAOYSA-N 2 2 408.590 4.262 20 0 HIADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)[nH+]c(C(C)(C)C)n4)CC3)C2)cc1 ZINC001164939161 721931771 /nfs/dbraw/zinc/93/17/71/721931771.db2.gz JPQFXCDGVOYADB-UHFFFAOYSA-N 2 2 408.590 4.262 20 0 HIADLP Cc1cccc2c1cc[nH+]c2N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164963217 722056143 /nfs/dbraw/zinc/05/61/43/722056143.db2.gz ISIDUCUJGRNOLF-UHFFFAOYSA-N 2 2 402.542 4.057 20 0 HIADLP Cc1cccc2c1cc[nH+]c2N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164963217 722056146 /nfs/dbraw/zinc/05/61/46/722056146.db2.gz ISIDUCUJGRNOLF-UHFFFAOYSA-N 2 2 402.542 4.057 20 0 HIADLP Brc1ccc(OCc2ccccn2)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000023626211 846731651 /nfs/dbraw/zinc/73/16/51/846731651.db2.gz YWYFFJQFARRUAB-UHFFFAOYSA-N 2 2 416.363 4.140 20 0 HIADLP c1cn(Cc2ccccc2C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c[nH+]1 ZINC000030652005 847752257 /nfs/dbraw/zinc/75/22/57/847752257.db2.gz JECWOSVHZCWUJY-UHFFFAOYSA-N 2 2 420.520 4.469 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000038831764 848180766 /nfs/dbraw/zinc/18/07/66/848180766.db2.gz SKTQWGQLLXNJHA-HXUWFJFHSA-N 2 2 402.542 4.093 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000038831764 848180769 /nfs/dbraw/zinc/18/07/69/848180769.db2.gz SKTQWGQLLXNJHA-HXUWFJFHSA-N 2 2 402.542 4.093 20 0 HIADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000047571238 849075118 /nfs/dbraw/zinc/07/51/18/849075118.db2.gz VBAQNCDAITULFY-UHFFFAOYSA-N 2 2 417.557 4.405 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2csc(-c3ccccn3)n2)C[C@@H](C)O1 ZINC000048816813 849270161 /nfs/dbraw/zinc/27/01/61/849270161.db2.gz RMPLBROQCVVFFS-QZTJIDSGSA-N 2 2 408.571 4.104 20 0 HIADLP CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000051777718 849514755 /nfs/dbraw/zinc/51/47/55/849514755.db2.gz SWNDHLCHRBRURD-GOSISDBHSA-N 2 2 412.578 4.084 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000057783203 850714147 /nfs/dbraw/zinc/71/41/47/850714147.db2.gz JXDHTTNGBUFBTQ-HXUWFJFHSA-N 2 2 421.589 4.056 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000057783203 850714153 /nfs/dbraw/zinc/71/41/53/850714153.db2.gz JXDHTTNGBUFBTQ-HXUWFJFHSA-N 2 2 421.589 4.056 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000060558571 851146553 /nfs/dbraw/zinc/14/65/53/851146553.db2.gz LPJKTJSKBMKFOB-HSZRJFAPSA-N 2 2 424.589 4.322 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(Br)ccc3F)cc2)CC1 ZINC000061070072 851287528 /nfs/dbraw/zinc/28/75/28/851287528.db2.gz COSJQTDJFQPPKO-UHFFFAOYSA-N 2 2 420.370 4.016 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccccc1Cl ZINC000065388391 852120462 /nfs/dbraw/zinc/12/04/62/852120462.db2.gz TVWGYCBGSVSUTE-FQEVSTJZSA-N 2 2 418.969 4.243 20 0 HIADLP Ic1ccccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000065982013 852339686 /nfs/dbraw/zinc/33/96/86/852339686.db2.gz BAHJYIWWGGBWPX-UHFFFAOYSA-N 2 2 412.359 4.426 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000112600037 853233845 /nfs/dbraw/zinc/23/38/45/853233845.db2.gz JJSAKZSBYRNCDR-UHFFFAOYSA-N 2 2 408.571 4.079 20 0 HIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000112600037 853233851 /nfs/dbraw/zinc/23/38/51/853233851.db2.gz JJSAKZSBYRNCDR-UHFFFAOYSA-N 2 2 408.571 4.079 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000116156002 853287782 /nfs/dbraw/zinc/28/77/82/853287782.db2.gz NSEZZWVPMTWVFR-ZFGGDYGUSA-N 2 2 421.585 4.147 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000116156002 853287785 /nfs/dbraw/zinc/28/77/85/853287785.db2.gz NSEZZWVPMTWVFR-ZFGGDYGUSA-N 2 2 421.585 4.147 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000116156002 853287789 /nfs/dbraw/zinc/28/77/89/853287789.db2.gz NSEZZWVPMTWVFR-ZFGGDYGUSA-N 2 2 421.585 4.147 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000116156002 853287792 /nfs/dbraw/zinc/28/77/92/853287792.db2.gz NSEZZWVPMTWVFR-ZFGGDYGUSA-N 2 2 421.585 4.147 20 0 HIADLP Brc1ccc2c(c1)C=C(C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)CO2 ZINC000236631748 853905094 /nfs/dbraw/zinc/90/50/94/853905094.db2.gz LPMFVKNOBKBRSC-UHFFFAOYSA-N 2 2 424.342 4.302 20 0 HIADLP CCOC(=O)N1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000236901658 853935055 /nfs/dbraw/zinc/93/50/55/853935055.db2.gz AHBORAABEHRYFM-UHFFFAOYSA-N 2 2 418.541 4.309 20 0 HIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc(Br)ccc3F)CC2)cc1 ZINC000237142145 853971753 /nfs/dbraw/zinc/97/17/53/853971753.db2.gz DVYAZWSRIXDZOW-UHFFFAOYSA-N 2 2 406.343 4.413 20 0 HIADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000237333656 854008618 /nfs/dbraw/zinc/00/86/18/854008618.db2.gz NFVJLPGPQTUJNQ-INIZCTEOSA-N 2 2 416.447 4.457 20 0 HIADLP COc1ccc(-c2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)o2)c([N+](=O)[O-])c1 ZINC000237420930 854029889 /nfs/dbraw/zinc/02/98/89/854029889.db2.gz KMGPHOLCSMLQSH-UHFFFAOYSA-N 2 2 404.426 4.339 20 0 HIADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000237790644 854098175 /nfs/dbraw/zinc/09/81/75/854098175.db2.gz XZVIZGZPSOZOGM-UHFFFAOYSA-N 2 2 413.319 4.062 20 0 HIADLP O=C(C[NH+]1CCCCCC1)Nc1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000238101848 854143722 /nfs/dbraw/zinc/14/37/22/854143722.db2.gz NXLYKRWHPXLDMU-UHFFFAOYSA-N 2 2 403.530 4.299 20 0 HIADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ncnc4c3cnn4C(C)(C)C)cc2)CC1 ZINC000301899925 854488267 /nfs/dbraw/zinc/48/82/67/854488267.db2.gz UGAASXBSTHJXCU-UHFFFAOYSA-N 2 2 407.566 4.103 20 0 HIADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000303424716 854927218 /nfs/dbraw/zinc/92/72/18/854927218.db2.gz AJWSNUVVJHUVQT-QHCPKHFHSA-N 2 2 408.933 4.079 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)([NH+]2CCCCC2)CC1 ZINC000303979942 855333391 /nfs/dbraw/zinc/33/33/91/855333391.db2.gz XAGGUOAZHCUSFB-QZTJIDSGSA-N 2 2 424.416 4.163 20 0 HIADLP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657509 855425199 /nfs/dbraw/zinc/42/51/99/855425199.db2.gz TUFYWOLUUXTGGH-OXJNMPFZSA-N 2 2 416.363 4.030 20 0 HIADLP C[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657509 855425209 /nfs/dbraw/zinc/42/52/09/855425209.db2.gz TUFYWOLUUXTGGH-OXJNMPFZSA-N 2 2 416.363 4.030 20 0 HIADLP C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383063019 855436699 /nfs/dbraw/zinc/43/66/99/855436699.db2.gz LZMBHKCYPALGAY-GOSISDBHSA-N 2 2 418.335 4.311 20 0 HIADLP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383063019 855436703 /nfs/dbraw/zinc/43/67/03/855436703.db2.gz LZMBHKCYPALGAY-GOSISDBHSA-N 2 2 418.335 4.311 20 0 HIADLP C[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383063019 855436706 /nfs/dbraw/zinc/43/67/06/855436706.db2.gz LZMBHKCYPALGAY-GOSISDBHSA-N 2 2 418.335 4.311 20 0 HIADLP C[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383063019 855436710 /nfs/dbraw/zinc/43/67/10/855436710.db2.gz LZMBHKCYPALGAY-GOSISDBHSA-N 2 2 418.335 4.311 20 0 HIADLP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410288415 855905997 /nfs/dbraw/zinc/90/59/97/855905997.db2.gz ACDMGFYFVRUSPJ-REWPJTCUSA-N 2 2 424.564 4.119 20 0 HIADLP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410288415 855906002 /nfs/dbraw/zinc/90/60/02/855906002.db2.gz ACDMGFYFVRUSPJ-REWPJTCUSA-N 2 2 424.564 4.119 20 0 HIADLP Cc1ccc2cc([C@H](C)[NH2+]Cc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)oc2c1 ZINC000425938489 856010244 /nfs/dbraw/zinc/01/02/44/856010244.db2.gz XHHHNHFCKQVJQO-IBGZPJMESA-N 2 2 421.541 4.253 20 0 HIADLP CCOc1c(Cl)cccc1C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000426155215 856143611 /nfs/dbraw/zinc/14/36/11/856143611.db2.gz ZLEMMLYMEWXDBE-LAUBAEHRSA-N 2 2 404.986 4.377 20 0 HIADLP CCOc1c(Cl)cccc1C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000426155215 856143616 /nfs/dbraw/zinc/14/36/16/856143616.db2.gz ZLEMMLYMEWXDBE-LAUBAEHRSA-N 2 2 404.986 4.377 20 0 HIADLP CCOc1c(Cl)cccc1C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000426155215 856143620 /nfs/dbraw/zinc/14/36/20/856143620.db2.gz ZLEMMLYMEWXDBE-LAUBAEHRSA-N 2 2 404.986 4.377 20 0 HIADLP CCOc1c(Cl)cccc1C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000426155215 856143623 /nfs/dbraw/zinc/14/36/23/856143623.db2.gz ZLEMMLYMEWXDBE-LAUBAEHRSA-N 2 2 404.986 4.377 20 0 HIADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000426292615 856225987 /nfs/dbraw/zinc/22/59/87/856225987.db2.gz FLMWKLNNFCNSLU-BJKOFHAPSA-N 2 2 417.557 4.063 20 0 HIADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000426292615 856226000 /nfs/dbraw/zinc/22/60/00/856226000.db2.gz FLMWKLNNFCNSLU-BJKOFHAPSA-N 2 2 417.557 4.063 20 0 HIADLP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCS2 ZINC000427605937 856886132 /nfs/dbraw/zinc/88/61/32/856886132.db2.gz FJVMEIORYLKFRL-HSZRJFAPSA-N 2 2 412.599 4.341 20 0 HIADLP Fc1cccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cccc(Br)c2)c1 ZINC000427866093 856986623 /nfs/dbraw/zinc/98/66/23/856986623.db2.gz OZCROSYHZBQHAM-ICSRJNTNSA-N 2 2 400.295 4.479 20 0 HIADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc(Cl)c1OC ZINC000428555341 857264388 /nfs/dbraw/zinc/26/43/88/857264388.db2.gz XRCOFOSQCKXPBT-HXUWFJFHSA-N 2 2 418.965 4.128 20 0 HIADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc(Cl)c1OC ZINC000428555341 857264391 /nfs/dbraw/zinc/26/43/91/857264391.db2.gz XRCOFOSQCKXPBT-HXUWFJFHSA-N 2 2 418.965 4.128 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000428614195 857278562 /nfs/dbraw/zinc/27/85/62/857278562.db2.gz CXCGMJALJUSDSB-NQIIRXRSSA-N 2 2 417.623 4.012 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000428614195 857278573 /nfs/dbraw/zinc/27/85/73/857278573.db2.gz CXCGMJALJUSDSB-NQIIRXRSSA-N 2 2 417.623 4.012 20 0 HIADLP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429414863 857654448 /nfs/dbraw/zinc/65/44/48/857654448.db2.gz GUALLVHTMHADKM-IRXDYDNUSA-N 2 2 414.347 4.137 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000429816750 857895066 /nfs/dbraw/zinc/89/50/66/857895066.db2.gz HEBUZPFULOLDFV-OEOAZWSVSA-N 2 2 413.993 4.208 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000429816750 857895068 /nfs/dbraw/zinc/89/50/68/857895068.db2.gz HEBUZPFULOLDFV-OEOAZWSVSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000429816750 857895072 /nfs/dbraw/zinc/89/50/72/857895072.db2.gz HEBUZPFULOLDFV-OEOAZWSVSA-N 2 2 413.993 4.208 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000429816750 857895074 /nfs/dbraw/zinc/89/50/74/857895074.db2.gz HEBUZPFULOLDFV-OEOAZWSVSA-N 2 2 413.993 4.208 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000429965315 857974223 /nfs/dbraw/zinc/97/42/23/857974223.db2.gz SSEOZGSVJPPWSH-JOCHJYFZSA-N 2 2 415.541 4.282 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000429965315 857974228 /nfs/dbraw/zinc/97/42/28/857974228.db2.gz SSEOZGSVJPPWSH-JOCHJYFZSA-N 2 2 415.541 4.282 20 0 HIADLP C[NH+](C)Cc1cc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)ccc1F ZINC000429974514 857977763 /nfs/dbraw/zinc/97/77/63/857977763.db2.gz YGROYAHYAAUGIV-UHFFFAOYSA-N 2 2 421.520 4.409 20 0 HIADLP CC1CC[NH+](Cc2cccc(CNC(=O)Cc3c[nH+]cn3Cc3ccccc3)c2)CC1 ZINC000431777983 858807633 /nfs/dbraw/zinc/80/76/33/858807633.db2.gz FOIBKALXTUVHML-UHFFFAOYSA-N 2 2 416.569 4.022 20 0 HIADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432753606 859336067 /nfs/dbraw/zinc/33/60/67/859336067.db2.gz VQCGVVMVBNALCT-UHFFFAOYSA-N 2 2 418.384 4.049 20 0 HIADLP Cc1ccc(-c2cccnc2)cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000432992347 859468130 /nfs/dbraw/zinc/46/81/30/859468130.db2.gz OBUIBCJTWNJBCS-UHFFFAOYSA-N 2 2 421.589 4.129 20 0 HIADLP Cc1cccc(Cl)c1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000467678402 881470405 /nfs/dbraw/zinc/47/04/05/881470405.db2.gz WLHVEHDQRVWRQX-UXHICEINSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1cccc(Cl)c1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000467678402 881470418 /nfs/dbraw/zinc/47/04/18/881470418.db2.gz WLHVEHDQRVWRQX-UXHICEINSA-N 2 2 407.002 4.449 20 0 HIADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000433936147 859984703 /nfs/dbraw/zinc/98/47/03/859984703.db2.gz ZRXXXWQNHRYFCQ-UHFFFAOYSA-N 2 2 423.605 4.150 20 0 HIADLP CCC(CC)[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+]1CCCC1 ZINC000433993760 860024837 /nfs/dbraw/zinc/02/48/37/860024837.db2.gz OYDSVRCMUALUDW-QFIPXVFZSA-N 2 2 415.626 4.009 20 0 HIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536850 860851113 /nfs/dbraw/zinc/85/11/13/860851113.db2.gz MJMWKBMZGYZMTF-XDZVQPMWSA-N 2 2 408.586 4.021 20 0 HIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536850 860851119 /nfs/dbraw/zinc/85/11/19/860851119.db2.gz MJMWKBMZGYZMTF-XDZVQPMWSA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536850 860851123 /nfs/dbraw/zinc/85/11/23/860851123.db2.gz MJMWKBMZGYZMTF-XDZVQPMWSA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536850 860851126 /nfs/dbraw/zinc/85/11/26/860851126.db2.gz MJMWKBMZGYZMTF-XDZVQPMWSA-N 2 2 408.586 4.021 20 0 HIADLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000435785810 861059752 /nfs/dbraw/zinc/05/97/52/861059752.db2.gz PYIRZWFMLNYKII-VWLOTQADSA-N 2 2 416.569 4.230 20 0 HIADLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000435785810 861059774 /nfs/dbraw/zinc/05/97/74/861059774.db2.gz PYIRZWFMLNYKII-VWLOTQADSA-N 2 2 416.569 4.230 20 0 HIADLP Cc1c(Cl)cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000438240800 863696696 /nfs/dbraw/zinc/69/66/96/863696696.db2.gz PNIJQYKVOZYTOH-UHFFFAOYSA-N 2 2 413.393 4.374 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2cc(Cl)c(Cl)cc2F)([NH+]2CCCCC2)CC1 ZINC000439965297 865257560 /nfs/dbraw/zinc/25/75/60/865257560.db2.gz GBVCXNXAIANWKB-UHFFFAOYSA-N 2 2 417.356 4.204 20 0 HIADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441376428 866444705 /nfs/dbraw/zinc/44/47/05/866444705.db2.gz KEOARWROEWVGAM-JPYJTQIMSA-N 2 2 404.514 4.061 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)c(C)c1 ZINC000441381787 866452116 /nfs/dbraw/zinc/45/21/16/866452116.db2.gz JPAMGQYHPYEGSA-RTWAWAEBSA-N 2 2 408.933 4.290 20 0 HIADLP COCc1nc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c(-c2ccccc2)s1 ZINC000441385387 866458026 /nfs/dbraw/zinc/45/80/26/866458026.db2.gz ZTGSQKHWUJDNHN-UHFFFAOYSA-N 2 2 405.527 4.135 20 0 HIADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417209 866492045 /nfs/dbraw/zinc/49/20/45/866492045.db2.gz FZFXIFXZYZTQPJ-AVYPCKFXSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417209 866492050 /nfs/dbraw/zinc/49/20/50/866492050.db2.gz FZFXIFXZYZTQPJ-AVYPCKFXSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417209 866492053 /nfs/dbraw/zinc/49/20/53/866492053.db2.gz FZFXIFXZYZTQPJ-AVYPCKFXSA-N 2 2 410.389 4.119 20 0 HIADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000441417209 866492062 /nfs/dbraw/zinc/49/20/62/866492062.db2.gz FZFXIFXZYZTQPJ-AVYPCKFXSA-N 2 2 410.389 4.119 20 0 HIADLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416667 866492659 /nfs/dbraw/zinc/49/26/59/866492659.db2.gz PLPQTOPIVRQLBH-UKILVPOCSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416667 866492664 /nfs/dbraw/zinc/49/26/64/866492664.db2.gz PLPQTOPIVRQLBH-UKILVPOCSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416667 866492670 /nfs/dbraw/zinc/49/26/70/866492670.db2.gz PLPQTOPIVRQLBH-UKILVPOCSA-N 2 2 417.597 4.183 20 0 HIADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(c1ccccc1)c1ccccc1 ZINC000441416667 866492674 /nfs/dbraw/zinc/49/26/74/866492674.db2.gz PLPQTOPIVRQLBH-UKILVPOCSA-N 2 2 417.597 4.183 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccco1 ZINC000441522857 866599459 /nfs/dbraw/zinc/59/94/59/866599459.db2.gz RYAFJXSVNBNWGR-YADHBBJMSA-N 2 2 423.561 4.217 20 0 HIADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)c(OC)c1 ZINC000442871802 867706209 /nfs/dbraw/zinc/70/62/09/867706209.db2.gz GVDAXIVMYOOLQU-LJQANCHMSA-N 2 2 417.594 4.057 20 0 HIADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)c(OC)c1 ZINC000442871801 867706663 /nfs/dbraw/zinc/70/66/63/867706663.db2.gz GVDAXIVMYOOLQU-IBGZPJMESA-N 2 2 417.594 4.057 20 0 HIADLP COc1ccc([C@H](CCn2cncn2)[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000442872048 867707024 /nfs/dbraw/zinc/70/70/24/867707024.db2.gz IXOSNUIEFMRPFH-QHCPKHFHSA-N 2 2 411.594 4.054 20 0 HIADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443595716 868148564 /nfs/dbraw/zinc/14/85/64/868148564.db2.gz UBLMUAXIGHJJTO-KRWDZBQOSA-N 2 2 422.411 4.364 20 0 HIADLP Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[NH+]2CCCC2)o1 ZINC000444593683 868894604 /nfs/dbraw/zinc/89/46/04/868894604.db2.gz RGZDEXGFKLCUGC-GCJKJVERSA-N 2 2 421.545 4.279 20 0 HIADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444806495 869019820 /nfs/dbraw/zinc/01/98/20/869019820.db2.gz ULKROHKNBIPTTR-UKRRQHHQSA-N 2 2 405.424 4.430 20 0 HIADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444806495 869019833 /nfs/dbraw/zinc/01/98/33/869019833.db2.gz ULKROHKNBIPTTR-UKRRQHHQSA-N 2 2 405.424 4.430 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000445019771 869169970 /nfs/dbraw/zinc/16/99/70/869169970.db2.gz NFPRDZUAHVALRC-JOCHJYFZSA-N 2 2 419.013 4.135 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000446595250 870502570 /nfs/dbraw/zinc/50/25/70/870502570.db2.gz VBXAQSIGQCROEV-DHIUTWEWSA-N 2 2 403.530 4.038 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccsc1 ZINC000468505837 882504139 /nfs/dbraw/zinc/50/41/39/882504139.db2.gz HPGVJARRJQYZSJ-QHCPKHFHSA-N 2 2 407.583 4.169 20 0 HIADLP CCSCc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000448338853 872279952 /nfs/dbraw/zinc/27/99/52/872279952.db2.gz GUVMIWPTQKMSCA-DHIUTWEWSA-N 2 2 417.663 4.349 20 0 HIADLP CCSCc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448338853 872279975 /nfs/dbraw/zinc/27/99/75/872279975.db2.gz GUVMIWPTQKMSCA-DHIUTWEWSA-N 2 2 417.663 4.349 20 0 HIADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462671882 875769264 /nfs/dbraw/zinc/76/92/64/875769264.db2.gz BMVCMVHCHDUGRJ-IBGZPJMESA-N 2 2 414.619 4.178 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000462804746 875851909 /nfs/dbraw/zinc/85/19/09/875851909.db2.gz CKPAMZIWXSWMNL-UCFCWBNQSA-N 2 2 420.601 4.130 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000462804746 875851915 /nfs/dbraw/zinc/85/19/15/875851915.db2.gz CKPAMZIWXSWMNL-UCFCWBNQSA-N 2 2 420.601 4.130 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(Br)cc1OCCCO ZINC000462950011 875968556 /nfs/dbraw/zinc/96/85/56/875968556.db2.gz BVPYBGLLCAQRPB-HNNXBMFYSA-N 2 2 413.400 4.124 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(OC(C)(C)C)cc1 ZINC000463006508 876021802 /nfs/dbraw/zinc/02/18/02/876021802.db2.gz DXXMKVGYYDVUEW-HXUWFJFHSA-N 2 2 412.574 4.426 20 0 HIADLP COc1ccccc1[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCCC1 ZINC000463083836 876114632 /nfs/dbraw/zinc/11/46/32/876114632.db2.gz HZJZVXQWATYUFT-HXUWFJFHSA-N 2 2 413.528 4.229 20 0 HIADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H](c3ccc(F)cc3)[C@H]3CCCO3)CC2)cc1 ZINC000463113434 876153102 /nfs/dbraw/zinc/15/31/02/876153102.db2.gz YNFQIVYKDBVOLN-RPWUZVMVSA-N 2 2 400.513 4.482 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000463116901 876158540 /nfs/dbraw/zinc/15/85/40/876158540.db2.gz QJKBBKVURLFPSQ-ZFGGDYGUSA-N 3 2 424.608 4.281 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000463116901 876158551 /nfs/dbraw/zinc/15/85/51/876158551.db2.gz QJKBBKVURLFPSQ-ZFGGDYGUSA-N 3 2 424.608 4.281 20 0 HIADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(O[C@H]2CCOC2)c1 ZINC000463188047 876245920 /nfs/dbraw/zinc/24/59/20/876245920.db2.gz BGLCKFNRZRDCMV-DEOSSOPVSA-N 2 2 412.549 4.099 20 0 HIADLP Cc1nc2ccccc2n1CCCCC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000463198515 876258524 /nfs/dbraw/zinc/25/85/24/876258524.db2.gz DVGZQZKEDHRZNX-SQJMNOBHSA-N 2 2 422.621 4.263 20 0 HIADLP Cc1nc2ccccc2n1CCCCC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000463198515 876258537 /nfs/dbraw/zinc/25/85/37/876258537.db2.gz DVGZQZKEDHRZNX-SQJMNOBHSA-N 2 2 422.621 4.263 20 0 HIADLP Cc1nc2ccccc2n1CCCCC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000463198515 876258545 /nfs/dbraw/zinc/25/85/45/876258545.db2.gz DVGZQZKEDHRZNX-SQJMNOBHSA-N 2 2 422.621 4.263 20 0 HIADLP Cc1nc2ccccc2n1CCCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000463198515 876258559 /nfs/dbraw/zinc/25/85/59/876258559.db2.gz DVGZQZKEDHRZNX-SQJMNOBHSA-N 2 2 422.621 4.263 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000463271658 876329050 /nfs/dbraw/zinc/32/90/50/876329050.db2.gz HDHKIMMWGKKDOT-FQEVSTJZSA-N 2 2 406.549 4.428 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCCC[NH+]3Cc3ccccc3)c2)C[C@H](C)O1 ZINC000468961470 883026804 /nfs/dbraw/zinc/02/68/04/883026804.db2.gz MXPFEQZJTYFGJW-BKSPAHHJSA-N 2 2 421.585 4.289 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCCC[NH+]3Cc3ccccc3)c2)C[C@H](C)O1 ZINC000468961470 883026822 /nfs/dbraw/zinc/02/68/22/883026822.db2.gz MXPFEQZJTYFGJW-BKSPAHHJSA-N 2 2 421.585 4.289 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)c2)C[C@H](C)O1 ZINC000468961470 883026841 /nfs/dbraw/zinc/02/68/41/883026841.db2.gz MXPFEQZJTYFGJW-BKSPAHHJSA-N 2 2 421.585 4.289 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)c2)C[C@H](C)O1 ZINC000468961470 883026862 /nfs/dbraw/zinc/02/68/62/883026862.db2.gz MXPFEQZJTYFGJW-BKSPAHHJSA-N 2 2 421.585 4.289 20 0 HIADLP C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1F ZINC000463687590 876807964 /nfs/dbraw/zinc/80/79/64/876807964.db2.gz SMRLLTAAJGNFPS-UHFFFAOYSA-N 2 2 421.520 4.409 20 0 HIADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463689612 876809275 /nfs/dbraw/zinc/80/92/75/876809275.db2.gz XBMIZROCAFOSKP-UHFFFAOYSA-N 2 2 415.541 4.066 20 0 HIADLP O=C(NCC[N@H+]1CCc2ccccc2C1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463689612 876809281 /nfs/dbraw/zinc/80/92/81/876809281.db2.gz XBMIZROCAFOSKP-UHFFFAOYSA-N 2 2 415.541 4.066 20 0 HIADLP CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464802897 878046304 /nfs/dbraw/zinc/04/63/04/878046304.db2.gz SKIABSVOPOVSSE-UHFFFAOYSA-N 2 2 422.617 4.447 20 0 HIADLP CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464802897 878046318 /nfs/dbraw/zinc/04/63/18/878046318.db2.gz SKIABSVOPOVSSE-UHFFFAOYSA-N 2 2 422.617 4.447 20 0 HIADLP CC[N@H+](C[C@@H](O)COc1cccc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811087 878062530 /nfs/dbraw/zinc/06/25/30/878062530.db2.gz QKGHDVOWGRWCOR-HSZRJFAPSA-N 2 2 419.569 4.213 20 0 HIADLP CC[N@@H+](C[C@@H](O)COc1cccc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464811087 878062552 /nfs/dbraw/zinc/06/25/52/878062552.db2.gz QKGHDVOWGRWCOR-HSZRJFAPSA-N 2 2 419.569 4.213 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464857825 878139568 /nfs/dbraw/zinc/13/95/68/878139568.db2.gz WDAGNCOIPXMQPU-FCEUIQTBSA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464857825 878139586 /nfs/dbraw/zinc/13/95/86/878139586.db2.gz WDAGNCOIPXMQPU-FCEUIQTBSA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464857825 878139597 /nfs/dbraw/zinc/13/95/97/878139597.db2.gz WDAGNCOIPXMQPU-FCEUIQTBSA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464857825 878139614 /nfs/dbraw/zinc/13/96/14/878139614.db2.gz WDAGNCOIPXMQPU-FCEUIQTBSA-N 2 2 411.615 4.254 20 0 HIADLP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503367410 912345034 /nfs/dbraw/zinc/34/50/34/912345034.db2.gz LLAYGJQZVXMNAS-QGZVFWFLSA-N 2 2 411.937 4.345 20 0 HIADLP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cc1 ZINC000503367410 912345053 /nfs/dbraw/zinc/34/50/53/912345053.db2.gz LLAYGJQZVXMNAS-QGZVFWFLSA-N 2 2 411.937 4.345 20 0 HIADLP C[NH+]1CCC(CNC(=O)N[C@@H](CC(C)(C)C)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000465541143 879003048 /nfs/dbraw/zinc/00/30/48/879003048.db2.gz KNUVPVJRUSSQMW-QFIPXVFZSA-N 2 2 414.638 4.413 20 0 HIADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000465550514 879014167 /nfs/dbraw/zinc/01/41/67/879014167.db2.gz SZGZDCTTZUYGKY-FXAWDEMLSA-N 2 2 424.992 4.132 20 0 HIADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000465550514 879014179 /nfs/dbraw/zinc/01/41/79/879014179.db2.gz SZGZDCTTZUYGKY-FXAWDEMLSA-N 2 2 424.992 4.132 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503436852 912445121 /nfs/dbraw/zinc/44/51/21/912445121.db2.gz PJOMGSWOWVIGIU-IEBWSBKVSA-N 2 2 414.981 4.272 20 0 HIADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503436852 912445130 /nfs/dbraw/zinc/44/51/30/912445130.db2.gz PJOMGSWOWVIGIU-IEBWSBKVSA-N 2 2 414.981 4.272 20 0 HIADLP CCSc1ccc([C@@H](C)NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000465886654 879541939 /nfs/dbraw/zinc/54/19/39/879541939.db2.gz GJGOAUUWBYBVDV-LJQANCHMSA-N 2 2 418.651 4.109 20 0 HIADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466138773 879849083 /nfs/dbraw/zinc/84/90/83/879849083.db2.gz ABIIKTQCYNXLIW-IBGZPJMESA-N 2 2 412.578 4.086 20 0 HIADLP Cc1ccc([C@H]2CCCCN2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000466139035 879849946 /nfs/dbraw/zinc/84/99/46/879849946.db2.gz AMCGPDUZYKUGOM-HSZRJFAPSA-N 2 2 412.622 4.182 20 0 HIADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2c2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000466158876 879862799 /nfs/dbraw/zinc/86/27/99/879862799.db2.gz SJHKYOOJJKNAAY-NRFANRHFSA-N 2 2 419.013 4.137 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000467155717 880890600 /nfs/dbraw/zinc/89/06/00/880890600.db2.gz RZTFHHNDGLJFGA-GOSISDBHSA-N 2 2 407.345 4.260 20 0 HIADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000467168755 880897910 /nfs/dbraw/zinc/89/79/10/880897910.db2.gz AXNLCCZRWPBIHD-HNNXBMFYSA-N 2 2 416.393 4.143 20 0 HIADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[NH+]1CCCCCC1 ZINC000469249176 883347041 /nfs/dbraw/zinc/34/70/41/883347041.db2.gz RAUSEJVMFGYAJL-INIZCTEOSA-N 2 2 412.405 4.339 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000469269975 883368067 /nfs/dbraw/zinc/36/80/67/883368067.db2.gz VRNGCUWDFDASFP-HXUWFJFHSA-N 2 2 402.970 4.221 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000469269975 883368085 /nfs/dbraw/zinc/36/80/85/883368085.db2.gz VRNGCUWDFDASFP-HXUWFJFHSA-N 2 2 402.970 4.221 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(C)c1nc2ccccc2s1 ZINC000469758904 883923842 /nfs/dbraw/zinc/92/38/42/883923842.db2.gz TXTQHKNUQKQQAI-QZTJIDSGSA-N 2 2 422.598 4.005 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000469771473 883946406 /nfs/dbraw/zinc/94/64/06/883946406.db2.gz BHEUDLRGSRWHDG-DAYGRLMNSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000469771473 883946416 /nfs/dbraw/zinc/94/64/16/883946416.db2.gz BHEUDLRGSRWHDG-DAYGRLMNSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000469773237 883946507 /nfs/dbraw/zinc/94/65/07/883946507.db2.gz WLFPMQVJQIAXIH-DOXZYTNZSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000469773237 883946520 /nfs/dbraw/zinc/94/65/20/883946520.db2.gz WLFPMQVJQIAXIH-DOXZYTNZSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000469771474 883946756 /nfs/dbraw/zinc/94/67/56/883946756.db2.gz BHEUDLRGSRWHDG-MPGHIAIKSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000469771474 883946775 /nfs/dbraw/zinc/94/67/75/883946775.db2.gz BHEUDLRGSRWHDG-MPGHIAIKSA-N 2 2 416.393 4.047 20 0 HIADLP CSc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000471011509 885513418 /nfs/dbraw/zinc/51/34/18/885513418.db2.gz ZPIVHNSBSMWAED-UHFFFAOYSA-N 2 2 415.628 4.028 20 0 HIADLP CSc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000471011509 885513438 /nfs/dbraw/zinc/51/34/38/885513438.db2.gz ZPIVHNSBSMWAED-UHFFFAOYSA-N 2 2 415.628 4.028 20 0 HIADLP CSc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)cc1Cl ZINC000471026666 885534115 /nfs/dbraw/zinc/53/41/15/885534115.db2.gz ADOMGLSZMVGDND-UHFFFAOYSA-N 2 2 416.418 4.004 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471175331 885736886 /nfs/dbraw/zinc/73/68/86/885736886.db2.gz CPCWNBUBNHVIKF-KNQAVFIVSA-N 2 2 404.514 4.286 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471175331 885736893 /nfs/dbraw/zinc/73/68/93/885736893.db2.gz CPCWNBUBNHVIKF-KNQAVFIVSA-N 2 2 404.514 4.286 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471962893 886788781 /nfs/dbraw/zinc/78/87/81/886788781.db2.gz GIGYFUFAHSASBL-NHCUHLMSSA-N 2 2 418.944 4.150 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000471962893 886788789 /nfs/dbraw/zinc/78/87/89/886788789.db2.gz GIGYFUFAHSASBL-NHCUHLMSSA-N 2 2 418.944 4.150 20 0 HIADLP Cc1cc2occ(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2cc1C ZINC000472002082 886827717 /nfs/dbraw/zinc/82/77/17/886827717.db2.gz KONQWAZNOMPWPE-DHIUTWEWSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1cc2occ(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2cc1C ZINC000472002082 886827718 /nfs/dbraw/zinc/82/77/18/886827718.db2.gz KONQWAZNOMPWPE-DHIUTWEWSA-N 2 2 411.590 4.459 20 0 HIADLP C[C@H](c1cccc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000472751396 887597623 /nfs/dbraw/zinc/59/76/23/887597623.db2.gz MJGXOTZJYCLYFE-LEWJYISDSA-N 2 2 424.589 4.112 20 0 HIADLP C[C@H](c1cccc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000472751396 887597633 /nfs/dbraw/zinc/59/76/33/887597633.db2.gz MJGXOTZJYCLYFE-LEWJYISDSA-N 2 2 424.589 4.112 20 0 HIADLP C[C@H](CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157842 887936009 /nfs/dbraw/zinc/93/60/09/887936009.db2.gz GNNQUQLXWAWSDO-RFLWCCGPSA-N 2 2 404.554 4.028 20 0 HIADLP C[C@H](CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12)[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157842 887936014 /nfs/dbraw/zinc/93/60/14/887936014.db2.gz GNNQUQLXWAWSDO-RFLWCCGPSA-N 2 2 404.554 4.028 20 0 HIADLP C[C@H](CC[NH+]1CC[C@@]2(C1)OCc1ccccc12)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157842 887936020 /nfs/dbraw/zinc/93/60/20/887936020.db2.gz GNNQUQLXWAWSDO-RFLWCCGPSA-N 2 2 404.554 4.028 20 0 HIADLP C[C@H](CC[NH+]1CC[C@@]2(C1)OCc1ccccc12)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473157842 887936028 /nfs/dbraw/zinc/93/60/28/887936028.db2.gz GNNQUQLXWAWSDO-RFLWCCGPSA-N 2 2 404.554 4.028 20 0 HIADLP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473945224 888821714 /nfs/dbraw/zinc/82/17/14/888821714.db2.gz OKAALGTWSHBQAN-NFBKMPQASA-N 2 2 417.557 4.239 20 0 HIADLP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473945224 888821724 /nfs/dbraw/zinc/82/17/24/888821724.db2.gz OKAALGTWSHBQAN-NFBKMPQASA-N 2 2 417.557 4.239 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CCC(C(F)(F)F)CC1 ZINC000474610681 889475064 /nfs/dbraw/zinc/47/50/64/889475064.db2.gz GYEORJKMADCQOY-KKXNLOMOSA-N 2 2 414.512 4.244 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2Br)C[C@H](C)O1 ZINC000474617806 889482495 /nfs/dbraw/zinc/48/24/95/889482495.db2.gz VYMYIOJSGUBXOA-HOTGVXAUSA-N 2 2 421.354 4.487 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3Br)c2)CCO1 ZINC000474619891 889484059 /nfs/dbraw/zinc/48/40/59/889484059.db2.gz GCOZVJLPPDYDPS-OAHLLOKOSA-N 2 2 407.327 4.099 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3Br)c2)CCO1 ZINC000474619891 889484068 /nfs/dbraw/zinc/48/40/68/889484068.db2.gz GCOZVJLPPDYDPS-OAHLLOKOSA-N 2 2 407.327 4.099 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[N@@H+]3CCCC[C@H]3C)cc1)C2 ZINC000474899453 889758836 /nfs/dbraw/zinc/75/88/36/889758836.db2.gz MUUDUJKJWGIPCG-NQIIRXRSSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[N@H+]3CCCC[C@H]3C)cc1)C2 ZINC000474899453 889758844 /nfs/dbraw/zinc/75/88/44/889758844.db2.gz MUUDUJKJWGIPCG-NQIIRXRSSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[N@@H+]3CCCC[C@H]3C)cc1)CC2 ZINC000474899453 889758851 /nfs/dbraw/zinc/75/88/51/889758851.db2.gz MUUDUJKJWGIPCG-NQIIRXRSSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[N@H+]3CCCC[C@H]3C)cc1)CC2 ZINC000474899453 889758859 /nfs/dbraw/zinc/75/88/59/889758859.db2.gz MUUDUJKJWGIPCG-NQIIRXRSSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[N@@H+]3CCC[C@@H](C)C3)cc1)C2 ZINC000474905317 889764603 /nfs/dbraw/zinc/76/46/03/889764603.db2.gz KEEDYOPTDLAIRK-NQIIRXRSSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[N@H+]3CCC[C@@H](C)C3)cc1)C2 ZINC000474905317 889764610 /nfs/dbraw/zinc/76/46/10/889764610.db2.gz KEEDYOPTDLAIRK-NQIIRXRSSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[N@@H+]3CCC[C@@H](C)C3)cc1)CC2 ZINC000474905317 889764620 /nfs/dbraw/zinc/76/46/20/889764620.db2.gz KEEDYOPTDLAIRK-NQIIRXRSSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[N@H+]3CCC[C@@H](C)C3)cc1)CC2 ZINC000474905317 889764627 /nfs/dbraw/zinc/76/46/27/889764627.db2.gz KEEDYOPTDLAIRK-NQIIRXRSSA-N 2 2 408.590 4.186 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000475111588 889962477 /nfs/dbraw/zinc/96/24/77/889962477.db2.gz OVAZVJMMERSSNX-TYPHKJRUSA-N 2 2 408.590 4.322 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000475111588 889962478 /nfs/dbraw/zinc/96/24/78/889962478.db2.gz OVAZVJMMERSSNX-TYPHKJRUSA-N 2 2 408.590 4.322 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000475111588 889962479 /nfs/dbraw/zinc/96/24/79/889962479.db2.gz OVAZVJMMERSSNX-TYPHKJRUSA-N 2 2 408.590 4.322 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000475111588 889962480 /nfs/dbraw/zinc/96/24/80/889962480.db2.gz OVAZVJMMERSSNX-TYPHKJRUSA-N 2 2 408.590 4.322 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)C2 ZINC000475118392 889974048 /nfs/dbraw/zinc/97/40/48/889974048.db2.gz KDSBBTGJAGNUGT-REWPJTCUSA-N 2 2 408.590 4.227 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)CC2 ZINC000475118392 889974065 /nfs/dbraw/zinc/97/40/65/889974065.db2.gz KDSBBTGJAGNUGT-REWPJTCUSA-N 2 2 408.590 4.227 20 0 HIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000475189358 890058590 /nfs/dbraw/zinc/05/85/90/890058590.db2.gz AHNXWQNKALVZJH-TXTKFYIRSA-N 2 2 412.574 4.077 20 0 HIADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000475189358 890058599 /nfs/dbraw/zinc/05/85/99/890058599.db2.gz AHNXWQNKALVZJH-TXTKFYIRSA-N 2 2 412.574 4.077 20 0 HIADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475221395 890090392 /nfs/dbraw/zinc/09/03/92/890090392.db2.gz VOEILFNUEZAPHU-SFHVURJKSA-N 2 2 407.539 4.151 20 0 HIADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475221395 890090413 /nfs/dbraw/zinc/09/04/13/890090413.db2.gz VOEILFNUEZAPHU-SFHVURJKSA-N 2 2 407.539 4.151 20 0 HIADLP COc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1NC(C)=O ZINC000475329940 890249638 /nfs/dbraw/zinc/24/96/38/890249638.db2.gz DBLCPIIWZUZCJU-TZYSRNFLSA-N 2 2 413.484 4.110 20 0 HIADLP Cc1c[nH+]cn1C1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000476759285 891730754 /nfs/dbraw/zinc/73/07/54/891730754.db2.gz VUEPSWWTDCRAQQ-UHFFFAOYSA-N 2 2 402.542 4.057 20 0 HIADLP C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512379604 921118198 /nfs/dbraw/zinc/11/81/98/921118198.db2.gz LQSGFYPBEXPIHB-UHFFFAOYSA-N 2 2 407.480 4.162 20 0 HIADLP C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512379604 921118206 /nfs/dbraw/zinc/11/82/06/921118206.db2.gz LQSGFYPBEXPIHB-UHFFFAOYSA-N 2 2 407.480 4.162 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)c(C)c1 ZINC000478175002 893341134 /nfs/dbraw/zinc/34/11/34/893341134.db2.gz IYRBZCRXUIOXRB-FGZHOGPDSA-N 2 2 406.505 4.166 20 0 HIADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000479474884 894798229 /nfs/dbraw/zinc/79/82/29/894798229.db2.gz FJHJAZFAGUEGBJ-DZIBYMRMSA-N 3 2 413.528 4.083 20 0 HIADLP COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000479904715 895250727 /nfs/dbraw/zinc/25/07/27/895250727.db2.gz VPPZOLOQHOELBE-OAQYLSRUSA-N 2 2 408.464 4.015 20 0 HIADLP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000479904713 895251450 /nfs/dbraw/zinc/25/14/50/895251450.db2.gz VPPZOLOQHOELBE-NRFANRHFSA-N 2 2 408.464 4.015 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480366742 895773805 /nfs/dbraw/zinc/77/38/05/895773805.db2.gz ZPCGJLXMAAQXLO-AVRDEDQJSA-N 2 2 412.480 4.197 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000480366742 895773824 /nfs/dbraw/zinc/77/38/24/895773824.db2.gz ZPCGJLXMAAQXLO-AVRDEDQJSA-N 2 2 412.480 4.197 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000480531223 895893199 /nfs/dbraw/zinc/89/31/99/895893199.db2.gz SNAIVNLJXABIRK-IBGZPJMESA-N 2 2 405.546 4.355 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](Cc4ccccn4)C[C@H]3C)cc2)C1 ZINC000480603853 895967999 /nfs/dbraw/zinc/96/79/99/895967999.db2.gz CLBIAALPNGHHAI-DRLORSAXSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+](Cc4ccccn4)C[C@H]3C)cc2)C1 ZINC000480603853 895968006 /nfs/dbraw/zinc/96/80/06/895968006.db2.gz CLBIAALPNGHHAI-DRLORSAXSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2)C1 ZINC000480603853 895968013 /nfs/dbraw/zinc/96/80/13/895968013.db2.gz CLBIAALPNGHHAI-DRLORSAXSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)C1 ZINC000480603853 895968023 /nfs/dbraw/zinc/96/80/23/895968023.db2.gz CLBIAALPNGHHAI-DRLORSAXSA-N 3 2 406.618 4.314 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCSc4ccc(Cl)cc43)cc2)CC1 ZINC000480619020 895986190 /nfs/dbraw/zinc/98/61/90/895986190.db2.gz XAKMHRAMHOSCPZ-FQEVSTJZSA-N 2 2 415.990 4.054 20 0 HIADLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000480740322 896100476 /nfs/dbraw/zinc/10/04/76/896100476.db2.gz LALQQIZOTWEITD-SFHVURJKSA-N 2 2 403.517 4.276 20 0 HIADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cc3)cc2)CC1 ZINC000480774679 896138224 /nfs/dbraw/zinc/13/82/24/896138224.db2.gz IKSXSUDPNIBZGE-RUZDIDTESA-N 2 2 417.528 4.093 20 0 HIADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cc3)cc2)CC1 ZINC000480833280 896206532 /nfs/dbraw/zinc/20/65/32/896206532.db2.gz LUTCJNHDBFUPJK-AREMUKBSSA-N 2 2 403.545 4.452 20 0 HIADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cc3)cc2)CC1 ZINC000480833280 896206551 /nfs/dbraw/zinc/20/65/51/896206551.db2.gz LUTCJNHDBFUPJK-AREMUKBSSA-N 2 2 403.545 4.452 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)cc1OC(F)F ZINC000480921985 896279864 /nfs/dbraw/zinc/27/98/64/896279864.db2.gz UUZGAGSOBXFGBG-MRXNPFEDSA-N 2 2 407.480 4.025 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(F)cc1OC(F)F ZINC000480921985 896279879 /nfs/dbraw/zinc/27/98/79/896279879.db2.gz UUZGAGSOBXFGBG-MRXNPFEDSA-N 2 2 407.480 4.025 20 0 HIADLP Cc1ccc2nc(NC(=O)C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)sc2c1 ZINC000481162325 896495648 /nfs/dbraw/zinc/49/56/48/896495648.db2.gz CJYNCDDJGANDES-PKOBYXMFSA-N 2 2 408.571 4.043 20 0 HIADLP Cc1ccc2nc(NC(=O)C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)sc2c1 ZINC000481162325 896495665 /nfs/dbraw/zinc/49/56/65/896495665.db2.gz CJYNCDDJGANDES-PKOBYXMFSA-N 2 2 408.571 4.043 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCSc2ccccc21 ZINC000481182900 896525020 /nfs/dbraw/zinc/52/50/20/896525020.db2.gz QLSYBKZOXGBCLP-ZJOUEHCJSA-N 2 2 409.599 4.014 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCSc2ccccc21 ZINC000481182900 896525038 /nfs/dbraw/zinc/52/50/38/896525038.db2.gz QLSYBKZOXGBCLP-ZJOUEHCJSA-N 2 2 409.599 4.014 20 0 HIADLP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(C(F)(F)F)c1 ZINC000481312668 896660245 /nfs/dbraw/zinc/66/02/45/896660245.db2.gz MMPLPKUIQVMEFA-NRFANRHFSA-N 2 2 408.464 4.015 20 0 HIADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481418572 896821547 /nfs/dbraw/zinc/82/15/47/896821547.db2.gz MBVNGXQOHDYZQA-OAQYLSRUSA-N 2 2 421.368 4.482 20 0 HIADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3ccc(Cl)cc3Cl)c2C)CC1 ZINC000481423938 896826713 /nfs/dbraw/zinc/82/67/13/896826713.db2.gz XCMFROKFTBQOKL-AWEZNQCLSA-N 2 2 411.377 4.249 20 0 HIADLP C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481542861 896902521 /nfs/dbraw/zinc/90/25/21/896902521.db2.gz DNLXGTGXFFVBRM-GOSISDBHSA-N 2 2 405.498 4.000 20 0 HIADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc2ccccc2c1OC(F)F ZINC000482028076 897435748 /nfs/dbraw/zinc/43/57/48/897435748.db2.gz AGQOKEBCVISCBT-UZLBHIALSA-N 2 2 419.516 4.035 20 0 HIADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc2ccccc2c1OC(F)F ZINC000482028076 897435759 /nfs/dbraw/zinc/43/57/59/897435759.db2.gz AGQOKEBCVISCBT-UZLBHIALSA-N 2 2 419.516 4.035 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000482120265 897574053 /nfs/dbraw/zinc/57/40/53/897574053.db2.gz AWHYGXNCDVDGGY-UXLLHSPISA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000482120265 897574062 /nfs/dbraw/zinc/57/40/62/897574062.db2.gz AWHYGXNCDVDGGY-UXLLHSPISA-N 2 2 416.393 4.047 20 0 HIADLP C[C@@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1nc(-c2ccccc2)cs1 ZINC000482131473 897589289 /nfs/dbraw/zinc/58/92/89/897589289.db2.gz WTTBDQRCDLUQKR-LJQANCHMSA-N 2 2 407.587 4.068 20 0 HIADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000505527345 914220978 /nfs/dbraw/zinc/22/09/78/914220978.db2.gz UGWKPKVAZCCTFA-NRFANRHFSA-N 2 2 423.601 4.446 20 0 HIADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000505527345 914220987 /nfs/dbraw/zinc/22/09/87/914220987.db2.gz UGWKPKVAZCCTFA-NRFANRHFSA-N 2 2 423.601 4.446 20 0 HIADLP Cc1cccn2c(CNc3cc(NC(=O)C[N@H+]4CCCC[C@@H]4C)ccc3F)c[nH+]c12 ZINC000482621933 898225486 /nfs/dbraw/zinc/22/54/86/898225486.db2.gz AWCZVEQRRJMUAV-KRWDZBQOSA-N 2 2 409.509 4.207 20 0 HIADLP Cc1cccn2c(CNc3cc(NC(=O)C[N@@H+]4CCCC[C@@H]4C)ccc3F)c[nH+]c12 ZINC000482621933 898225500 /nfs/dbraw/zinc/22/55/00/898225500.db2.gz AWCZVEQRRJMUAV-KRWDZBQOSA-N 2 2 409.509 4.207 20 0 HIADLP C[C@H](c1cccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1)[NH+]1CCOCC1 ZINC000482959125 898588238 /nfs/dbraw/zinc/58/82/38/898588238.db2.gz JMEXLURACCEDPV-OAQYLSRUSA-N 2 2 421.585 4.321 20 0 HIADLP CC1CCC(Oc2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)ccn2)CC1 ZINC000482959855 898590076 /nfs/dbraw/zinc/59/00/76/898590076.db2.gz LLRGZOYCFIWSGU-PFADVTCBSA-N 2 2 408.590 4.434 20 0 HIADLP CC1CCC(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)ccn2)CC1 ZINC000482959855 898590088 /nfs/dbraw/zinc/59/00/88/898590088.db2.gz LLRGZOYCFIWSGU-PFADVTCBSA-N 2 2 408.590 4.434 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483137169 898817001 /nfs/dbraw/zinc/81/70/01/898817001.db2.gz TZAHJGXIEBMDLI-IRXDYDNUSA-N 2 2 404.551 4.105 20 0 HIADLP CCn1c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)nc2cc(Br)ccc21 ZINC000483497917 899156375 /nfs/dbraw/zinc/15/63/75/899156375.db2.gz CTDWAYPZGFTQMU-UHFFFAOYSA-N 2 2 416.348 4.356 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483572954 899226968 /nfs/dbraw/zinc/22/69/68/899226968.db2.gz LBHDYZRERHFPEW-LOSJGSFVSA-N 2 2 414.553 4.058 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483572954 899226981 /nfs/dbraw/zinc/22/69/81/899226981.db2.gz LBHDYZRERHFPEW-LOSJGSFVSA-N 2 2 414.553 4.058 20 0 HIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483727271 899386881 /nfs/dbraw/zinc/38/68/81/899386881.db2.gz NAAUWBVBQVQUFF-YYFZDKIDSA-N 2 2 410.580 4.024 20 0 HIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483727271 899386889 /nfs/dbraw/zinc/38/68/89/899386889.db2.gz NAAUWBVBQVQUFF-YYFZDKIDSA-N 2 2 410.580 4.024 20 0 HIADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1cccc(Br)c1 ZINC000483816608 899494604 /nfs/dbraw/zinc/49/46/04/899494604.db2.gz JACHKYIQRHJXAZ-LZJOCLMNSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1cccc(Br)c1 ZINC000483816608 899494613 /nfs/dbraw/zinc/49/46/13/899494613.db2.gz JACHKYIQRHJXAZ-LZJOCLMNSA-N 2 2 418.379 4.112 20 0 HIADLP COc1ccccc1-c1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000483941436 899597030 /nfs/dbraw/zinc/59/70/30/899597030.db2.gz NEJHFIYJZYGRQP-UHFFFAOYSA-N 2 2 422.573 4.042 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1OC(F)(F)F ZINC000484126364 899748737 /nfs/dbraw/zinc/74/87/37/899748737.db2.gz FEGSCRNTBFZOAK-QRFRQXIXSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccccc1OC(F)(F)F ZINC000484126364 899748740 /nfs/dbraw/zinc/74/87/40/899748740.db2.gz FEGSCRNTBFZOAK-QRFRQXIXSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CCOCC1)c1ccccc1 ZINC000484141462 899760690 /nfs/dbraw/zinc/76/06/90/899760690.db2.gz XOSRPTJMSHETEU-FCHUYYIVSA-N 2 2 423.601 4.074 20 0 HIADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000484153783 899775531 /nfs/dbraw/zinc/77/55/31/899775531.db2.gz APXOOBKOXRTCRZ-YADARESESA-N 2 2 418.541 4.278 20 0 HIADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000484153783 899775537 /nfs/dbraw/zinc/77/55/37/899775537.db2.gz APXOOBKOXRTCRZ-YADARESESA-N 2 2 418.541 4.278 20 0 HIADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1OCC ZINC000484161363 899780874 /nfs/dbraw/zinc/78/08/74/899780874.db2.gz JJAANEMAXIQQIQ-AJSBUHFISA-N 2 2 412.574 4.018 20 0 HIADLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1OCC ZINC000484161363 899780877 /nfs/dbraw/zinc/78/08/77/899780877.db2.gz JJAANEMAXIQQIQ-AJSBUHFISA-N 2 2 412.574 4.018 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000484177313 899795209 /nfs/dbraw/zinc/79/52/09/899795209.db2.gz OSHBHYLSBNQLBP-ORYQWCPZSA-N 2 2 405.369 4.453 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000484177313 899795221 /nfs/dbraw/zinc/79/52/21/899795221.db2.gz OSHBHYLSBNQLBP-ORYQWCPZSA-N 2 2 405.369 4.453 20 0 HIADLP COc1cc2[nH]c(CCC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cc2c(OC)c1 ZINC000484294333 899857617 /nfs/dbraw/zinc/85/76/17/899857617.db2.gz LZEKGSTYZFTHQO-JPYJTQIMSA-N 2 2 422.573 4.013 20 0 HIADLP COc1cc2[nH]c(CCC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2c(OC)c1 ZINC000484294333 899857622 /nfs/dbraw/zinc/85/76/22/899857622.db2.gz LZEKGSTYZFTHQO-JPYJTQIMSA-N 2 2 422.573 4.013 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c[nH]c2ccccc21 ZINC000486156167 901343479 /nfs/dbraw/zinc/34/34/79/901343479.db2.gz JQTBHQCKDMNUOZ-BTZRARBUSA-N 2 2 424.633 4.457 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c[nH]c2ccccc21 ZINC000486156167 901343487 /nfs/dbraw/zinc/34/34/87/901343487.db2.gz JQTBHQCKDMNUOZ-BTZRARBUSA-N 2 2 424.633 4.457 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000488279184 902743859 /nfs/dbraw/zinc/74/38/59/902743859.db2.gz KVALWYDJQOINFH-YHYVQYDKSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000488279184 902743872 /nfs/dbraw/zinc/74/38/72/902743872.db2.gz KVALWYDJQOINFH-YHYVQYDKSA-N 2 2 421.029 4.380 20 0 HIADLP CN(C(=O)c1cc(F)c2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489146048 903231207 /nfs/dbraw/zinc/23/12/07/903231207.db2.gz FFZCHAAEHJDYQN-BJKOFHAPSA-N 2 2 411.565 4.388 20 0 HIADLP CN(C(=O)c1cc(F)c2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489146048 903231222 /nfs/dbraw/zinc/23/12/22/903231222.db2.gz FFZCHAAEHJDYQN-BJKOFHAPSA-N 2 2 411.565 4.388 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000489253153 903289931 /nfs/dbraw/zinc/28/99/31/903289931.db2.gz HOHXBMYYNDMWGJ-OALUTQOASA-N 2 2 412.553 4.025 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000489253153 903289944 /nfs/dbraw/zinc/28/99/44/903289944.db2.gz HOHXBMYYNDMWGJ-OALUTQOASA-N 2 2 412.553 4.025 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2ccccc2C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489254601 903291730 /nfs/dbraw/zinc/29/17/30/903291730.db2.gz KHEOMBFOGBWCCY-CEWHCAETSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2ccccc2C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489254601 903291744 /nfs/dbraw/zinc/29/17/44/903291744.db2.gz KHEOMBFOGBWCCY-CEWHCAETSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2ccccc2C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489254601 903291758 /nfs/dbraw/zinc/29/17/58/903291758.db2.gz KHEOMBFOGBWCCY-CEWHCAETSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2ccccc2C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000489254601 903291775 /nfs/dbraw/zinc/29/17/75/903291775.db2.gz KHEOMBFOGBWCCY-CEWHCAETSA-N 4 2 414.682 4.296 20 0 HIADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489257495 903293818 /nfs/dbraw/zinc/29/38/18/903293818.db2.gz RCJCUAGALIIAQT-XMMPIXPASA-N 2 2 408.590 4.230 20 0 HIADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489257495 903293827 /nfs/dbraw/zinc/29/38/27/903293827.db2.gz RCJCUAGALIIAQT-XMMPIXPASA-N 2 2 408.590 4.230 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489300464 903318671 /nfs/dbraw/zinc/31/86/71/903318671.db2.gz ZFDAXXRHIDYCTH-LJQANCHMSA-N 2 2 410.562 4.046 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489300464 903318685 /nfs/dbraw/zinc/31/86/85/903318685.db2.gz ZFDAXXRHIDYCTH-LJQANCHMSA-N 2 2 410.562 4.046 20 0 HIADLP c1ccc(C([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000490115138 903773800 /nfs/dbraw/zinc/77/38/00/903773800.db2.gz VGLKPQIPVFSNFU-UHFFFAOYSA-N 2 2 402.538 4.277 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000491221842 904488071 /nfs/dbraw/zinc/48/80/71/904488071.db2.gz AISYHPKYSPCEDP-XXBNENTESA-N 2 2 402.542 4.152 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000491221842 904488079 /nfs/dbraw/zinc/48/80/79/904488079.db2.gz AISYHPKYSPCEDP-XXBNENTESA-N 2 2 402.542 4.152 20 0 HIADLP CCC(CC)(CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[NH2+][C@H](C)c1ccccc1 ZINC000492348119 904836696 /nfs/dbraw/zinc/83/66/96/904836696.db2.gz AVUXCXTWCMVRBG-LJQANCHMSA-N 2 2 420.561 4.358 20 0 HIADLP C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492349732 904837136 /nfs/dbraw/zinc/83/71/36/904837136.db2.gz GYDGCABYVAGUAK-RBBKRZOGSA-N 2 2 400.570 4.361 20 0 HIADLP C[C@H]([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492349732 904837148 /nfs/dbraw/zinc/83/71/48/904837148.db2.gz GYDGCABYVAGUAK-RBBKRZOGSA-N 2 2 400.570 4.361 20 0 HIADLP C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492401377 904843966 /nfs/dbraw/zinc/84/39/66/904843966.db2.gz OTHNIGZSGBSMPS-SJLPKXTDSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@@H]([NH2+]Cc1cn2cc(Br)ccc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492401377 904843970 /nfs/dbraw/zinc/84/39/70/904843970.db2.gz OTHNIGZSGBSMPS-SJLPKXTDSA-N 2 2 413.363 4.097 20 0 HIADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2ccc(F)cc2)cc1 ZINC000493989383 905333534 /nfs/dbraw/zinc/33/35/34/905333534.db2.gz KVEDULDBEFEGMX-UBFVSLLYSA-N 2 2 412.549 4.281 20 0 HIADLP C[C@@H]1[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000494039993 905381558 /nfs/dbraw/zinc/38/15/58/905381558.db2.gz WEZBRWFRHUXUEY-WNOPAQSVSA-N 2 2 420.601 4.272 20 0 HIADLP C[C@@H]1[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000494039993 905381569 /nfs/dbraw/zinc/38/15/69/905381569.db2.gz WEZBRWFRHUXUEY-WNOPAQSVSA-N 2 2 420.601 4.272 20 0 HIADLP C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000494286917 905610343 /nfs/dbraw/zinc/61/03/43/905610343.db2.gz DXLNPYLTMJJYBO-HMMYKYKNSA-N 2 2 409.599 4.209 20 0 HIADLP C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000494286917 905610351 /nfs/dbraw/zinc/61/03/51/905610351.db2.gz DXLNPYLTMJJYBO-HMMYKYKNSA-N 2 2 409.599 4.209 20 0 HIADLP Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494389751 905686253 /nfs/dbraw/zinc/68/62/53/905686253.db2.gz DMMJXMQJVZPXKA-IBGZPJMESA-N 2 2 417.488 4.413 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[NH2+]Cc3ccccc3-n3cc[nH+]c3)cn2)cc1 ZINC000494575300 905843462 /nfs/dbraw/zinc/84/34/62/905843462.db2.gz CCGZKQXFBBSULZ-UHFFFAOYSA-N 2 2 411.431 4.426 20 0 HIADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000494996702 906158989 /nfs/dbraw/zinc/15/89/89/906158989.db2.gz NWIIUYOURGOHDJ-GPUOULLFSA-N 2 2 412.549 4.174 20 0 HIADLP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000494996702 906158998 /nfs/dbraw/zinc/15/89/98/906158998.db2.gz NWIIUYOURGOHDJ-GPUOULLFSA-N 2 2 412.549 4.174 20 0 HIADLP COc1ccc([C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c2ccccc2)cc1 ZINC000495069853 906221274 /nfs/dbraw/zinc/22/12/74/906221274.db2.gz UYLQQPOIUMYCIY-RDGATRHJSA-N 2 2 402.542 4.432 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495181487 906292662 /nfs/dbraw/zinc/29/26/62/906292662.db2.gz DNKGCLBCPKRLPH-PXDATVDWSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495181487 906292679 /nfs/dbraw/zinc/29/26/79/906292679.db2.gz DNKGCLBCPKRLPH-PXDATVDWSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495181487 906292697 /nfs/dbraw/zinc/29/26/97/906292697.db2.gz DNKGCLBCPKRLPH-PXDATVDWSA-N 2 2 416.569 4.133 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000495181487 906292715 /nfs/dbraw/zinc/29/27/15/906292715.db2.gz DNKGCLBCPKRLPH-PXDATVDWSA-N 2 2 416.569 4.133 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512613300 921260873 /nfs/dbraw/zinc/26/08/73/921260873.db2.gz RNTCBOSOJSSRQO-FQPZXIKYSA-N 3 2 418.629 4.497 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512613300 921260881 /nfs/dbraw/zinc/26/08/81/921260881.db2.gz RNTCBOSOJSSRQO-FQPZXIKYSA-N 3 2 418.629 4.497 20 0 HIADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497492319 906977241 /nfs/dbraw/zinc/97/72/41/906977241.db2.gz QHTDBAHYWFZVTB-DHIUTWEWSA-N 2 2 413.512 4.126 20 0 HIADLP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000497492319 906977259 /nfs/dbraw/zinc/97/72/59/906977259.db2.gz QHTDBAHYWFZVTB-DHIUTWEWSA-N 2 2 413.512 4.126 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000498054914 907565466 /nfs/dbraw/zinc/56/54/66/907565466.db2.gz NONSQIFBCRVRAZ-UHFFFAOYSA-N 2 2 406.530 4.200 20 0 HIADLP Cc1[nH+]ccn1CC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000499065314 908431469 /nfs/dbraw/zinc/43/14/69/908431469.db2.gz RBFYDCSSEHMBFL-UHFFFAOYSA-N 2 2 400.885 4.125 20 0 HIADLP Cc1[nH+]ccn1CC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000499065314 908431478 /nfs/dbraw/zinc/43/14/78/908431478.db2.gz RBFYDCSSEHMBFL-UHFFFAOYSA-N 2 2 400.885 4.125 20 0 HIADLP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499140153 908497002 /nfs/dbraw/zinc/49/70/02/908497002.db2.gz GKKDIWRXNBGBCA-OWZKRDHZSA-N 2 2 405.464 4.308 20 0 HIADLP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499140153 908497007 /nfs/dbraw/zinc/49/70/07/908497007.db2.gz GKKDIWRXNBGBCA-OWZKRDHZSA-N 2 2 405.464 4.308 20 0 HIADLP FC(F)(F)COc1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499140151 908498083 /nfs/dbraw/zinc/49/80/83/908498083.db2.gz GKKDIWRXNBGBCA-ACDBMABISA-N 2 2 405.464 4.308 20 0 HIADLP FC(F)(F)COc1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499140151 908498093 /nfs/dbraw/zinc/49/80/93/908498093.db2.gz GKKDIWRXNBGBCA-ACDBMABISA-N 2 2 405.464 4.308 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000499176992 908531683 /nfs/dbraw/zinc/53/16/83/908531683.db2.gz NTYQMBOTTLMKCN-YEHREXKJSA-N 2 2 404.602 4.392 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499176992 908531693 /nfs/dbraw/zinc/53/16/93/908531693.db2.gz NTYQMBOTTLMKCN-YEHREXKJSA-N 2 2 404.602 4.392 20 0 HIADLP c1ccc(C[N@@H+]2CCO[C@@H](c3noc(-c4ccc(C[NH+]5CCCCC5)cc4)n3)C2)cc1 ZINC000500829865 910109371 /nfs/dbraw/zinc/10/93/71/910109371.db2.gz AJHZZBFRWFXMFM-HSZRJFAPSA-N 2 2 418.541 4.296 20 0 HIADLP c1ccc(C[N@H+]2CCO[C@@H](c3noc(-c4ccc(C[NH+]5CCCCC5)cc4)n3)C2)cc1 ZINC000500829865 910109379 /nfs/dbraw/zinc/10/93/79/910109379.db2.gz AJHZZBFRWFXMFM-HSZRJFAPSA-N 2 2 418.541 4.296 20 0 HIADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502330242 911310115 /nfs/dbraw/zinc/31/01/15/911310115.db2.gz CYYYXSWRJLPHQJ-OAHLLOKOSA-N 2 2 404.352 4.370 20 0 HIADLP COc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502330242 911310139 /nfs/dbraw/zinc/31/01/39/911310139.db2.gz CYYYXSWRJLPHQJ-OAHLLOKOSA-N 2 2 404.352 4.370 20 0 HIADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1Br ZINC000502342326 911320894 /nfs/dbraw/zinc/32/08/94/911320894.db2.gz BTXRUXRZEJWGJN-MRXNPFEDSA-N 2 2 404.352 4.370 20 0 HIADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1Br ZINC000502342326 911320909 /nfs/dbraw/zinc/32/09/09/911320909.db2.gz BTXRUXRZEJWGJN-MRXNPFEDSA-N 2 2 404.352 4.370 20 0 HIADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502345099 911325976 /nfs/dbraw/zinc/32/59/76/911325976.db2.gz KFGBWOMOIGGUNE-OAHLLOKOSA-N 2 2 404.352 4.370 20 0 HIADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502345099 911325998 /nfs/dbraw/zinc/32/59/98/911325998.db2.gz KFGBWOMOIGGUNE-OAHLLOKOSA-N 2 2 404.352 4.370 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC000502858215 911866347 /nfs/dbraw/zinc/86/63/47/911866347.db2.gz HUYSAGVZOHCWAC-PWRODBHTSA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC000502858215 911866352 /nfs/dbraw/zinc/86/63/52/911866352.db2.gz HUYSAGVZOHCWAC-PWRODBHTSA-N 2 2 416.610 4.072 20 0 HIADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502860709 911867787 /nfs/dbraw/zinc/86/77/87/911867787.db2.gz JEQUYAXYKCSYDS-UHFFFAOYSA-N 2 2 419.639 4.249 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503070788 912037292 /nfs/dbraw/zinc/03/72/92/912037292.db2.gz DHCDBCVTCPMJCI-OIBXWCBGSA-N 2 2 408.590 4.427 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503070788 912037314 /nfs/dbraw/zinc/03/73/14/912037314.db2.gz DHCDBCVTCPMJCI-OIBXWCBGSA-N 2 2 408.590 4.427 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000503070808 912039045 /nfs/dbraw/zinc/03/90/45/912039045.db2.gz DNSOAUXKKGRAMO-MLGOLLRUSA-N 2 2 400.832 4.077 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000503070808 912039060 /nfs/dbraw/zinc/03/90/60/912039060.db2.gz DNSOAUXKKGRAMO-MLGOLLRUSA-N 2 2 400.832 4.077 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000503073360 912040360 /nfs/dbraw/zinc/04/03/60/912040360.db2.gz FWUVOYATLHIMPS-QHCPKHFHSA-N 2 2 406.530 4.210 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000503073360 912040369 /nfs/dbraw/zinc/04/03/69/912040369.db2.gz FWUVOYATLHIMPS-QHCPKHFHSA-N 2 2 406.530 4.210 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2cccs2)cc1 ZINC000503076787 912048327 /nfs/dbraw/zinc/04/83/27/912048327.db2.gz QXVLFDFZRBXBPC-JLGINSKQSA-N 2 2 422.598 4.296 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c2cccs2)cc1 ZINC000503076787 912048336 /nfs/dbraw/zinc/04/83/36/912048336.db2.gz QXVLFDFZRBXBPC-JLGINSKQSA-N 2 2 422.598 4.296 20 0 HIADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000507215639 915964830 /nfs/dbraw/zinc/96/48/30/915964830.db2.gz FQQMXIWCDOEXPB-FPOVZHCZSA-N 2 2 423.605 4.238 20 0 HIADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000507215641 915965210 /nfs/dbraw/zinc/96/52/10/915965210.db2.gz FQQMXIWCDOEXPB-TZIWHRDSSA-N 2 2 423.605 4.238 20 0 HIADLP NC(=O)[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000507501248 916266886 /nfs/dbraw/zinc/26/68/86/916266886.db2.gz MQWYAHCYLOZUGA-XMMPIXPASA-N 2 2 414.484 4.054 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000507896710 916757672 /nfs/dbraw/zinc/75/76/72/916757672.db2.gz SPCONDDOYSKFGY-OFNKIYASSA-N 2 2 402.542 4.014 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000507896710 916757698 /nfs/dbraw/zinc/75/76/98/916757698.db2.gz SPCONDDOYSKFGY-OFNKIYASSA-N 2 2 402.542 4.014 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000508638978 917403089 /nfs/dbraw/zinc/40/30/89/917403089.db2.gz PRHKQWSAKDMESI-PXNSSMCTSA-N 2 2 403.954 4.086 20 0 HIADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000508638978 917403101 /nfs/dbraw/zinc/40/31/01/917403101.db2.gz PRHKQWSAKDMESI-PXNSSMCTSA-N 2 2 403.954 4.086 20 0 HIADLP Fc1ccc2nc([C@@H]3CCC[N@H+](CCC[NH+]4CCN(c5ccccc5)CC4)C3)oc2c1 ZINC000508978597 917732000 /nfs/dbraw/zinc/73/20/00/917732000.db2.gz OOHGMSSYBJJBPB-HXUWFJFHSA-N 2 2 422.548 4.359 20 0 HIADLP Fc1ccc2nc([C@@H]3CCC[N@@H+](CCC[NH+]4CCN(c5ccccc5)CC4)C3)oc2c1 ZINC000508978597 917732009 /nfs/dbraw/zinc/73/20/09/917732009.db2.gz OOHGMSSYBJJBPB-HXUWFJFHSA-N 2 2 422.548 4.359 20 0 HIADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509032771 917788855 /nfs/dbraw/zinc/78/88/55/917788855.db2.gz NOPMVJFPWGKAEY-XMMPIXPASA-N 2 2 417.601 4.021 20 0 HIADLP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509032771 917788866 /nfs/dbraw/zinc/78/88/66/917788866.db2.gz NOPMVJFPWGKAEY-XMMPIXPASA-N 2 2 417.601 4.021 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000509037188 917792354 /nfs/dbraw/zinc/79/23/54/917792354.db2.gz CRVOVJOXVGASNH-MJGOQNOKSA-N 2 2 403.958 4.035 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000509037188 917792368 /nfs/dbraw/zinc/79/23/68/917792368.db2.gz CRVOVJOXVGASNH-MJGOQNOKSA-N 2 2 403.958 4.035 20 0 HIADLP CCC(C)(C)C1CCC2(C[C@@H]2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000509562103 918212009 /nfs/dbraw/zinc/21/20/09/918212009.db2.gz YFOXPGWEEKJRSE-WRVMZKTCSA-N 2 2 403.655 4.294 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC(C)C ZINC000509860422 918463862 /nfs/dbraw/zinc/46/38/62/918463862.db2.gz QZEDSHURDBLSIM-RZUBCFFCSA-N 2 2 418.626 4.174 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC(C)C ZINC000509860422 918463866 /nfs/dbraw/zinc/46/38/66/918463866.db2.gz QZEDSHURDBLSIM-RZUBCFFCSA-N 2 2 418.626 4.174 20 0 HIADLP CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C[N@H+](CC)C4CC4)cc3)cc2)CC1 ZINC000510860449 919352200 /nfs/dbraw/zinc/35/22/00/919352200.db2.gz KOWKUIVLVRLOCS-UHFFFAOYSA-N 2 2 420.601 4.061 20 0 HIADLP CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C[N@@H+](CC)C4CC4)cc3)cc2)CC1 ZINC000510860449 919352215 /nfs/dbraw/zinc/35/22/15/919352215.db2.gz KOWKUIVLVRLOCS-UHFFFAOYSA-N 2 2 420.601 4.061 20 0 HIADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511246014 919846662 /nfs/dbraw/zinc/84/66/62/919846662.db2.gz DLVLJSLXMCDNIT-SFTZYOPASA-N 2 2 421.589 4.064 20 0 HIADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511246014 919846667 /nfs/dbraw/zinc/84/66/67/919846667.db2.gz DLVLJSLXMCDNIT-SFTZYOPASA-N 2 2 421.589 4.064 20 0 HIADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)sc1Br ZINC000512054466 920824073 /nfs/dbraw/zinc/82/40/73/920824073.db2.gz VTITWDQDCCZBOT-JQHSSLGASA-N 2 2 423.420 4.353 20 0 HIADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)sc1Br ZINC000512054466 920824074 /nfs/dbraw/zinc/82/40/74/920824074.db2.gz VTITWDQDCCZBOT-JQHSSLGASA-N 2 2 423.420 4.353 20 0 HIADLP C[N@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512290507 921044769 /nfs/dbraw/zinc/04/47/69/921044769.db2.gz YZOMSNYVMWPPME-NRFANRHFSA-N 2 2 422.491 4.042 20 0 HIADLP C[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512290507 921044781 /nfs/dbraw/zinc/04/47/81/921044781.db2.gz YZOMSNYVMWPPME-NRFANRHFSA-N 2 2 422.491 4.042 20 0 HIADLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc(OC)c1OCc1ccccc1 ZINC000512364660 921105671 /nfs/dbraw/zinc/10/56/71/921105671.db2.gz KALCACWPPHDBFQ-UHFFFAOYSA-N 2 2 407.514 4.386 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)C2 ZINC000513910738 922233634 /nfs/dbraw/zinc/23/36/34/922233634.db2.gz FQGURPQOUWQIOP-DENIHFKCSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)C2 ZINC000513910738 922233650 /nfs/dbraw/zinc/23/36/50/922233650.db2.gz FQGURPQOUWQIOP-DENIHFKCSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC000513910738 922233663 /nfs/dbraw/zinc/23/36/63/922233663.db2.gz FQGURPQOUWQIOP-DENIHFKCSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC000513910738 922233687 /nfs/dbraw/zinc/23/36/87/922233687.db2.gz FQGURPQOUWQIOP-DENIHFKCSA-N 2 2 408.590 4.055 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817780 922812148 /nfs/dbraw/zinc/81/21/48/922812148.db2.gz IRQPPSTVPITJDU-ROUUACIJSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817780 922812153 /nfs/dbraw/zinc/81/21/53/922812153.db2.gz IRQPPSTVPITJDU-ROUUACIJSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817780 922812164 /nfs/dbraw/zinc/81/21/64/922812164.db2.gz IRQPPSTVPITJDU-ROUUACIJSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817780 922812170 /nfs/dbraw/zinc/81/21/70/922812170.db2.gz IRQPPSTVPITJDU-ROUUACIJSA-N 2 2 420.022 4.169 20 0 HIADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000515522233 923153022 /nfs/dbraw/zinc/15/30/22/923153022.db2.gz CGNFZPRZTQLILY-UMEGOILYSA-N 2 2 405.586 4.274 20 0 HIADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000516621441 923819980 /nfs/dbraw/zinc/81/99/80/923819980.db2.gz PKHHTWURKIRDEA-DLBZAZTESA-N 2 2 407.628 4.007 20 0 HIADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000516621441 923819991 /nfs/dbraw/zinc/81/99/91/923819991.db2.gz PKHHTWURKIRDEA-DLBZAZTESA-N 2 2 407.628 4.007 20 0 HIADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)C1 ZINC000516621441 923819996 /nfs/dbraw/zinc/81/99/96/923819996.db2.gz PKHHTWURKIRDEA-DLBZAZTESA-N 2 2 407.628 4.007 20 0 HIADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)C1 ZINC000516621441 923820005 /nfs/dbraw/zinc/82/00/05/923820005.db2.gz PKHHTWURKIRDEA-DLBZAZTESA-N 2 2 407.628 4.007 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000519205420 927827575 /nfs/dbraw/zinc/82/75/75/927827575.db2.gz YXISTAIWDANOOY-QFIPXVFZSA-N 2 2 421.029 4.239 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000519205420 927827576 /nfs/dbraw/zinc/82/75/76/927827576.db2.gz YXISTAIWDANOOY-QFIPXVFZSA-N 2 2 421.029 4.239 20 0 HIADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000519557241 928013922 /nfs/dbraw/zinc/01/39/22/928013922.db2.gz NBCJQLNKWICTPL-LJQANCHMSA-N 2 2 424.976 4.154 20 0 HIADLP Cc1[nH+]c2cc(F)c(F)cc2n1Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000519848975 928095493 /nfs/dbraw/zinc/09/54/93/928095493.db2.gz QATFBIDUHKWGNQ-UHFFFAOYSA-N 2 2 409.440 4.317 20 0 HIADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000520207885 928389049 /nfs/dbraw/zinc/38/90/49/928389049.db2.gz PBKWNQQIDTYPEO-MRXNPFEDSA-N 2 2 400.320 4.403 20 0 HIADLP CCc1nc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000521815108 929472750 /nfs/dbraw/zinc/47/27/50/929472750.db2.gz HUMUTCQXWNCQFU-UHFFFAOYSA-N 2 2 406.599 4.318 20 0 HIADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000524829650 929848912 /nfs/dbraw/zinc/84/89/12/929848912.db2.gz VOEIRPIMRZWNCD-LJQANCHMSA-N 2 2 421.545 4.213 20 0 HIADLP CC[N@H+](C[C@H](O)COc1ccc2ccccc2c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525269237 930120209 /nfs/dbraw/zinc/12/02/09/930120209.db2.gz DREBSQUHOJTHMX-DEOSSOPVSA-N 2 2 419.569 4.213 20 0 HIADLP CC[N@@H+](C[C@H](O)COc1ccc2ccccc2c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525269237 930120220 /nfs/dbraw/zinc/12/02/20/930120220.db2.gz DREBSQUHOJTHMX-DEOSSOPVSA-N 2 2 419.569 4.213 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc2ccccc2s1 ZINC000526944948 930554624 /nfs/dbraw/zinc/55/46/24/930554624.db2.gz VLHBRSAQVGEMSO-KRWDZBQOSA-N 2 2 409.555 4.023 20 0 HIADLP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000527198487 930610081 /nfs/dbraw/zinc/61/00/81/930610081.db2.gz LYVUVAHTLPTJCA-FQEVSTJZSA-N 2 2 412.599 4.139 20 0 HIADLP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000527198487 930610082 /nfs/dbraw/zinc/61/00/82/930610082.db2.gz LYVUVAHTLPTJCA-FQEVSTJZSA-N 2 2 412.599 4.139 20 0 HIADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000531691871 931156209 /nfs/dbraw/zinc/15/62/09/931156209.db2.gz TXZOLAZZUISNBU-LJQANCHMSA-N 2 2 424.976 4.154 20 0 HIADLP O=C(Nc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1)c1ccc(F)cc1 ZINC000531938694 931254061 /nfs/dbraw/zinc/25/40/61/931254061.db2.gz VPYDQRHOKHICNH-UHFFFAOYSA-N 2 2 404.489 4.232 20 0 HIADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531939657 931255219 /nfs/dbraw/zinc/25/52/19/931255219.db2.gz IFBGBRXZKUBVOU-SFHVURJKSA-N 2 2 410.949 4.112 20 0 HIADLP CC[N@H+](CCOc1ccccc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532735123 931617245 /nfs/dbraw/zinc/61/72/45/931617245.db2.gz NYTZRCIHXIEKRK-UHFFFAOYSA-N 2 2 412.578 4.287 20 0 HIADLP CC[N@@H+](CCOc1ccccc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532735123 931617246 /nfs/dbraw/zinc/61/72/46/931617246.db2.gz NYTZRCIHXIEKRK-UHFFFAOYSA-N 2 2 412.578 4.287 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3csc(-c4ccc(F)cc4)n3)[nH+]c2)CC1 ZINC000533187530 931804773 /nfs/dbraw/zinc/80/47/73/931804773.db2.gz KNGCTWDERDFNDE-UHFFFAOYSA-N 2 2 411.550 4.487 20 0 HIADLP Fc1ccc(-c2noc([C@H]3CCC[N@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)n2)cc1 ZINC000533506711 931888074 /nfs/dbraw/zinc/88/80/74/931888074.db2.gz QKMKIZCBVUZQEV-IBGZPJMESA-N 2 2 403.461 4.441 20 0 HIADLP Fc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4ccc(-n5cc[nH+]c5)cc4)C3)n2)cc1 ZINC000533506711 931888077 /nfs/dbraw/zinc/88/80/77/931888077.db2.gz QKMKIZCBVUZQEV-IBGZPJMESA-N 2 2 403.461 4.441 20 0 HIADLP CC(C)COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533646499 931943101 /nfs/dbraw/zinc/94/31/01/931943101.db2.gz AUEKNRIVTHDDDT-ZEQRLZLVSA-N 2 2 415.622 4.131 20 0 HIADLP CC(C)COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533646499 931943111 /nfs/dbraw/zinc/94/31/11/931943111.db2.gz AUEKNRIVTHDDDT-ZEQRLZLVSA-N 2 2 415.622 4.131 20 0 HIADLP CC(C)COc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647450 931943552 /nfs/dbraw/zinc/94/35/52/931943552.db2.gz ACCHMMFQHFDSOI-DNQXCXABSA-N 2 2 415.622 4.131 20 0 HIADLP CC(C)COc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647450 931943557 /nfs/dbraw/zinc/94/35/57/931943557.db2.gz ACCHMMFQHFDSOI-DNQXCXABSA-N 2 2 415.622 4.131 20 0 HIADLP CN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648610 931944569 /nfs/dbraw/zinc/94/45/69/931944569.db2.gz IIOYYMZUZCNSIC-DQEYMECFSA-N 2 2 407.602 4.178 20 0 HIADLP CN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648610 931944574 /nfs/dbraw/zinc/94/45/74/931944574.db2.gz IIOYYMZUZCNSIC-DQEYMECFSA-N 2 2 407.602 4.178 20 0 HIADLP CN(C(=O)Nc1cccc(OC(F)F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534196682 932325828 /nfs/dbraw/zinc/32/58/28/932325828.db2.gz YGVBGPYTSBEOIG-VQTJNVASSA-N 2 2 424.536 4.089 20 0 HIADLP CN(C(=O)Nc1cccc(OC(F)F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534196682 932325835 /nfs/dbraw/zinc/32/58/35/932325835.db2.gz YGVBGPYTSBEOIG-VQTJNVASSA-N 2 2 424.536 4.089 20 0 HIADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)CCC2 ZINC000534237450 932357473 /nfs/dbraw/zinc/35/74/73/932357473.db2.gz POMKPVCNTJQVNT-XMMPIXPASA-N 2 2 412.622 4.045 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000534358086 932391587 /nfs/dbraw/zinc/39/15/87/932391587.db2.gz JMQVUFBJSCYFEW-MQNAVGNWSA-N 2 2 421.576 4.254 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000534358086 932391596 /nfs/dbraw/zinc/39/15/96/932391596.db2.gz JMQVUFBJSCYFEW-MQNAVGNWSA-N 2 2 421.576 4.254 20 0 HIADLP Cc1cc2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)oc2cc1C ZINC000534358400 932391932 /nfs/dbraw/zinc/39/19/32/932391932.db2.gz JTHHXSOPHPYOHP-VXKWHMMOSA-N 2 2 411.590 4.459 20 0 HIADLP Cc1cc2cc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)oc2cc1C ZINC000534358400 932391943 /nfs/dbraw/zinc/39/19/43/932391943.db2.gz JTHHXSOPHPYOHP-VXKWHMMOSA-N 2 2 411.590 4.459 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000534358088 932391993 /nfs/dbraw/zinc/39/19/93/932391993.db2.gz JMQVUFBJSCYFEW-VSDWSMLSSA-N 2 2 421.576 4.254 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000534358088 932391997 /nfs/dbraw/zinc/39/19/97/932391997.db2.gz JMQVUFBJSCYFEW-VSDWSMLSSA-N 2 2 421.576 4.254 20 0 HIADLP Cc1cc(CCCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000534362556 932395793 /nfs/dbraw/zinc/39/57/93/932395793.db2.gz IMZVRRWREDZPIJ-DHIUTWEWSA-N 2 2 419.679 4.483 20 0 HIADLP Cc1cc(CCCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000534362556 932395798 /nfs/dbraw/zinc/39/57/98/932395798.db2.gz IMZVRRWREDZPIJ-DHIUTWEWSA-N 2 2 419.679 4.483 20 0 HIADLP CN(C(=O)NCc1cccc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534385700 932412277 /nfs/dbraw/zinc/41/22/77/932412277.db2.gz STDKCYOMYOVVRL-DQEYMECFSA-N 2 2 422.617 4.318 20 0 HIADLP CN(C(=O)NCc1cccc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534385700 932412281 /nfs/dbraw/zinc/41/22/81/932412281.db2.gz STDKCYOMYOVVRL-DQEYMECFSA-N 2 2 422.617 4.318 20 0 HIADLP CN(C(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534935184 932845445 /nfs/dbraw/zinc/84/54/45/932845445.db2.gz ZDAKNOIPCPGTHO-VQTJNVASSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534935184 932845450 /nfs/dbraw/zinc/84/54/50/932845450.db2.gz ZDAKNOIPCPGTHO-VQTJNVASSA-N 2 2 410.965 4.280 20 0 HIADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC000535089183 932903586 /nfs/dbraw/zinc/90/35/86/932903586.db2.gz QUEOEWZAOBYRBU-UHFFFAOYSA-N 2 2 404.345 4.316 20 0 HIADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC000535089183 932903597 /nfs/dbraw/zinc/90/35/97/932903597.db2.gz QUEOEWZAOBYRBU-UHFFFAOYSA-N 2 2 404.345 4.316 20 0 HIADLP CSc1ccc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535094946 932908580 /nfs/dbraw/zinc/90/85/80/932908580.db2.gz IAAMTLNQTKOTTQ-FCHUYYIVSA-N 2 2 403.636 4.126 20 0 HIADLP CSc1ccc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000535094946 932908582 /nfs/dbraw/zinc/90/85/82/932908582.db2.gz IAAMTLNQTKOTTQ-FCHUYYIVSA-N 2 2 403.636 4.126 20 0 HIADLP CCSc1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096025 932910368 /nfs/dbraw/zinc/91/03/68/932910368.db2.gz NIYPGFBKSFIRCZ-PKTZIBPZSA-N 2 2 417.663 4.137 20 0 HIADLP CCSc1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096025 932910379 /nfs/dbraw/zinc/91/03/79/932910379.db2.gz NIYPGFBKSFIRCZ-PKTZIBPZSA-N 2 2 417.663 4.137 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000535115273 932932463 /nfs/dbraw/zinc/93/24/63/932932463.db2.gz FORKFZGQMXMUFJ-DQLDELGASA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000535115273 932932485 /nfs/dbraw/zinc/93/24/85/932932485.db2.gz FORKFZGQMXMUFJ-DQLDELGASA-N 2 2 422.564 4.004 20 0 HIADLP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)c1 ZINC000535192851 933006073 /nfs/dbraw/zinc/00/60/73/933006073.db2.gz ZAZNTJNBMJRGCR-UHFFFAOYSA-N 2 2 401.917 4.190 20 0 HIADLP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)c1 ZINC000535192851 933006077 /nfs/dbraw/zinc/00/60/77/933006077.db2.gz ZAZNTJNBMJRGCR-UHFFFAOYSA-N 2 2 401.917 4.190 20 0 HIADLP C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000535328068 933075456 /nfs/dbraw/zinc/07/54/56/933075456.db2.gz REDURLTUPHHROF-UHFFFAOYSA-N 2 2 421.570 4.259 20 0 HIADLP COc1ccc(OCc2nc(C[NH2+]Cc3ccc(C[NH+](C)C)c(F)c3)cs2)cc1 ZINC000535678936 933329940 /nfs/dbraw/zinc/32/99/40/933329940.db2.gz DDGPLHYGNUJDRB-UHFFFAOYSA-N 2 2 415.534 4.221 20 0 HIADLP Cc1[nH]c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849795 933431458 /nfs/dbraw/zinc/43/14/58/933431458.db2.gz RIGZSFUWKHHTLD-DNQXCXABSA-N 2 2 410.606 4.194 20 0 HIADLP Cc1[nH]c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2c1C ZINC000535849795 933431463 /nfs/dbraw/zinc/43/14/63/933431463.db2.gz RIGZSFUWKHHTLD-DNQXCXABSA-N 2 2 410.606 4.194 20 0 HIADLP CN(C(=O)c1ccc(C(C)(C)C)s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850532 933431756 /nfs/dbraw/zinc/43/17/56/933431756.db2.gz DZQYRIYKPQVPOU-OALUTQOASA-N 2 2 405.652 4.455 20 0 HIADLP CN(C(=O)c1ccc(C(C)(C)C)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850532 933431762 /nfs/dbraw/zinc/43/17/62/933431762.db2.gz DZQYRIYKPQVPOU-OALUTQOASA-N 2 2 405.652 4.455 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC000535851528 933433404 /nfs/dbraw/zinc/43/34/04/933433404.db2.gz FEBDJGDGSUCPCM-IEXUWNMDSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC000535851528 933433413 /nfs/dbraw/zinc/43/34/13/933433413.db2.gz FEBDJGDGSUCPCM-IEXUWNMDSA-N 2 2 417.613 4.190 20 0 HIADLP CN(C(=O)c1cc(F)c(F)cc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850981 933433852 /nfs/dbraw/zinc/43/38/52/933433852.db2.gz YVPBZRUUTDNYMS-VQTJNVASSA-N 2 2 413.940 4.027 20 0 HIADLP CN(C(=O)c1cc(F)c(F)cc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850981 933433857 /nfs/dbraw/zinc/43/38/57/933433857.db2.gz YVPBZRUUTDNYMS-VQTJNVASSA-N 2 2 413.940 4.027 20 0 HIADLP CSCc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000535850750 933434153 /nfs/dbraw/zinc/43/41/53/933434153.db2.gz MLSKRNKDBDFVBX-FCHUYYIVSA-N 2 2 421.626 4.098 20 0 HIADLP CSCc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000535850750 933434159 /nfs/dbraw/zinc/43/41/59/933434159.db2.gz MLSKRNKDBDFVBX-FCHUYYIVSA-N 2 2 421.626 4.098 20 0 HIADLP CN(C(=O)CCSc1ccccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851993 933435843 /nfs/dbraw/zinc/43/58/43/933435843.db2.gz ZZVSKNHDRCHJED-RTWAWAEBSA-N 2 2 421.626 4.104 20 0 HIADLP CN(C(=O)CCSc1ccccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851993 933435847 /nfs/dbraw/zinc/43/58/47/933435847.db2.gz ZZVSKNHDRCHJED-RTWAWAEBSA-N 2 2 421.626 4.104 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000537357678 933734725 /nfs/dbraw/zinc/73/47/25/933734725.db2.gz LTTXNQGAWFIJQZ-IIBYNOLFSA-N 2 2 408.373 4.405 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000537357678 933734729 /nfs/dbraw/zinc/73/47/29/933734729.db2.gz LTTXNQGAWFIJQZ-IIBYNOLFSA-N 2 2 408.373 4.405 20 0 HIADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000562872529 945134020 /nfs/dbraw/zinc/13/40/20/945134020.db2.gz ZEKVQGUHGUFEMW-HKUYNNGSSA-N 2 2 421.614 4.483 20 0 HIADLP Cc1[nH+]c(N2CCOCC2)ccc1NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000537538200 938318328 /nfs/dbraw/zinc/31/83/28/938318328.db2.gz YVSMXRQQVGBQDA-UHFFFAOYSA-N 2 2 418.944 4.096 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000537621307 938336569 /nfs/dbraw/zinc/33/65/69/938336569.db2.gz HNYJDBKJDKOPHW-YLJYHZDGSA-N 2 2 410.587 4.014 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000537621307 938336572 /nfs/dbraw/zinc/33/65/72/938336572.db2.gz HNYJDBKJDKOPHW-YLJYHZDGSA-N 2 2 410.587 4.014 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(-c2ccccc2)n1 ZINC000537621046 938336690 /nfs/dbraw/zinc/33/66/90/938336690.db2.gz SDHQKRBTTFNZQW-UHFFFAOYSA-N 3 2 412.647 4.438 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(-c2ccccc2)n1 ZINC000537621046 938336695 /nfs/dbraw/zinc/33/66/95/938336695.db2.gz SDHQKRBTTFNZQW-UHFFFAOYSA-N 3 2 412.647 4.438 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000537945256 938428142 /nfs/dbraw/zinc/42/81/42/938428142.db2.gz HDQGHCLXDNFNQG-HBGVWJBISA-N 2 2 403.364 4.125 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CC[N@H+]1Cc1ccccc1 ZINC000537945256 938428145 /nfs/dbraw/zinc/42/81/45/938428145.db2.gz HDQGHCLXDNFNQG-HBGVWJBISA-N 2 2 403.364 4.125 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000537950729 938429835 /nfs/dbraw/zinc/42/98/35/938429835.db2.gz KBVMIKNMUMOLIV-MSOLQXFVSA-N 2 2 407.562 4.242 20 0 HIADLP Cc1sc2[nH]c(C[N@H+](C)CCCn3cc[nH+]c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000538120127 938508851 /nfs/dbraw/zinc/50/88/51/938508851.db2.gz OMJWQACGRVAJDJ-UHFFFAOYSA-N 2 2 407.543 4.399 20 0 HIADLP Cc1sc2[nH]c(C[N@@H+](C)CCCn3cc[nH+]c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000538120127 938508857 /nfs/dbraw/zinc/50/88/57/938508857.db2.gz OMJWQACGRVAJDJ-UHFFFAOYSA-N 2 2 407.543 4.399 20 0 HIADLP COc1c(Cl)cccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538347275 938599765 /nfs/dbraw/zinc/59/97/65/938599765.db2.gz LMEJRWMMVIODDW-PMACEKPBSA-N 2 2 423.001 4.150 20 0 HIADLP COc1c(Cl)cccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538347275 938599770 /nfs/dbraw/zinc/59/97/70/938599770.db2.gz LMEJRWMMVIODDW-PMACEKPBSA-N 2 2 423.001 4.150 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000538354762 938602447 /nfs/dbraw/zinc/60/24/47/938602447.db2.gz WUFGPQCQHXYWRO-VXKWHMMOSA-N 2 2 404.574 4.189 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000538354762 938602448 /nfs/dbraw/zinc/60/24/48/938602448.db2.gz WUFGPQCQHXYWRO-VXKWHMMOSA-N 2 2 404.574 4.189 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4c3cc(Br)cc4F)[nH+]c2)C1 ZINC000538559168 938649251 /nfs/dbraw/zinc/64/92/51/938649251.db2.gz BEEKFIWATVUWIC-HNAYVOBHSA-N 2 2 419.342 4.223 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)NCc3ccccc3-n3cc[nH+]c3)c2)CC1 ZINC000538772245 938706639 /nfs/dbraw/zinc/70/66/39/938706639.db2.gz MLJSARPAGFVBRG-UHFFFAOYSA-N 2 2 417.557 4.468 20 0 HIADLP CC[N@H+](CCC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1)CC1CC1 ZINC000538950382 938746318 /nfs/dbraw/zinc/74/63/18/938746318.db2.gz DKTGVVMGDYFHLK-UHFFFAOYSA-N 2 2 402.970 4.323 20 0 HIADLP CC[N@@H+](CCC1CC[NH+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1)CC1CC1 ZINC000538950382 938746330 /nfs/dbraw/zinc/74/63/30/938746330.db2.gz DKTGVVMGDYFHLK-UHFFFAOYSA-N 2 2 402.970 4.323 20 0 HIADLP C[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](CCc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539046640 938781807 /nfs/dbraw/zinc/78/18/07/938781807.db2.gz KLDDKKLSAFBDFD-ZFGGDYGUSA-N 2 2 415.984 4.379 20 0 HIADLP C[N@H+]1CC[C@H](CN[C@H]2CC[NH+](CCc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539046640 938781809 /nfs/dbraw/zinc/78/18/09/938781809.db2.gz KLDDKKLSAFBDFD-ZFGGDYGUSA-N 2 2 415.984 4.379 20 0 HIADLP C[NH+]1CC[C@H](CN[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539046640 938781813 /nfs/dbraw/zinc/78/18/13/938781813.db2.gz KLDDKKLSAFBDFD-ZFGGDYGUSA-N 2 2 415.984 4.379 20 0 HIADLP C[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539046640 938781817 /nfs/dbraw/zinc/78/18/17/938781817.db2.gz KLDDKKLSAFBDFD-ZFGGDYGUSA-N 2 2 415.984 4.379 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000539054898 938784648 /nfs/dbraw/zinc/78/46/48/938784648.db2.gz WARIHLJXBFIQMI-IRXDYDNUSA-N 2 2 410.953 4.192 20 0 HIADLP Brc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000539968168 938982351 /nfs/dbraw/zinc/98/23/51/938982351.db2.gz NJMWFCGCBGVSGP-JOCHJYFZSA-N 2 2 415.375 4.449 20 0 HIADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)C[C@H](C)O1 ZINC000540247736 939164931 /nfs/dbraw/zinc/16/49/31/939164931.db2.gz PBBGIONRFLWVLN-OALUTQOASA-N 2 2 421.651 4.281 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540316798 939192229 /nfs/dbraw/zinc/19/22/29/939192229.db2.gz RPBJIJRVRVKGID-LEWJYISDSA-N 2 2 403.929 4.106 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540316798 939192231 /nfs/dbraw/zinc/19/22/31/939192231.db2.gz RPBJIJRVRVKGID-LEWJYISDSA-N 2 2 403.929 4.106 20 0 HIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cn3c(cccc3C)n2)cc1 ZINC000540321772 939193755 /nfs/dbraw/zinc/19/37/55/939193755.db2.gz YBHHWCZTMDWDEE-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cn3c(cccc3C)n2)cc1 ZINC000540321772 939193756 /nfs/dbraw/zinc/19/37/56/939193756.db2.gz YBHHWCZTMDWDEE-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000540418391 939241456 /nfs/dbraw/zinc/24/14/56/939241456.db2.gz ZQUDKMDJARAHBK-RPWUZVMVSA-N 2 2 423.582 4.044 20 0 HIADLP C[C@H](CC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000540494675 939274690 /nfs/dbraw/zinc/27/46/90/939274690.db2.gz HDQRYNJFISTBKU-QPPBQGQZSA-N 3 2 407.602 4.475 20 0 HIADLP C[C@H](CC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000540494675 939274700 /nfs/dbraw/zinc/27/47/00/939274700.db2.gz HDQRYNJFISTBKU-QPPBQGQZSA-N 3 2 407.602 4.475 20 0 HIADLP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)oc21 ZINC000540597388 939315081 /nfs/dbraw/zinc/31/50/81/939315081.db2.gz OINBXVCYWRQCFJ-GOSISDBHSA-N 2 2 421.541 4.070 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3ccccc3OCC(F)(F)F)[nH+]c2)CC1 ZINC000540626707 939323164 /nfs/dbraw/zinc/32/31/64/939323164.db2.gz QSPMWWVCAINHAI-UHFFFAOYSA-N 2 2 408.468 4.165 20 0 HIADLP Cc1cccc(NC(=O)C[C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1C ZINC000540787593 939372646 /nfs/dbraw/zinc/37/26/46/939372646.db2.gz RQKCEHZXCMCOMH-SFHVURJKSA-N 2 2 409.578 4.058 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCOc4cc5c(cc43)CCC5)[nH+]c2)CC1 ZINC000540790476 939373622 /nfs/dbraw/zinc/37/36/22/939373622.db2.gz LIHNUEPEELAILA-QHCPKHFHSA-N 2 2 406.574 4.427 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541202889 939485428 /nfs/dbraw/zinc/48/54/28/939485428.db2.gz PHYFJTGXOMNDOU-RBUKOAKNSA-N 2 2 408.546 4.387 20 0 HIADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541407326 939507659 /nfs/dbraw/zinc/50/76/59/939507659.db2.gz PFGFFKQYJQJRGE-FPOVZHCZSA-N 2 2 410.562 4.040 20 0 HIADLP Cc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)n2)cc1 ZINC000541599450 939563958 /nfs/dbraw/zinc/56/39/58/939563958.db2.gz MVWYSJGVAACAMJ-MJGOQNOKSA-N 2 2 412.603 4.300 20 0 HIADLP Cc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)n2)cc1 ZINC000541599450 939563961 /nfs/dbraw/zinc/56/39/61/939563961.db2.gz MVWYSJGVAACAMJ-MJGOQNOKSA-N 2 2 412.603 4.300 20 0 HIADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000541769560 939626572 /nfs/dbraw/zinc/62/65/72/939626572.db2.gz IUCZAVZRVBPGRM-REWPJTCUSA-N 2 2 411.571 4.002 20 0 HIADLP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000541793998 939632977 /nfs/dbraw/zinc/63/29/77/939632977.db2.gz KRKRVWZCDMQIJF-UHFFFAOYSA-N 2 2 421.006 4.409 20 0 HIADLP CC[NH+](CC)CCCC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000542046089 939698220 /nfs/dbraw/zinc/69/82/20/939698220.db2.gz FWAOKMZXUDNUTB-UHFFFAOYSA-N 2 2 415.557 4.055 20 0 HIADLP COCC[NH+]1CCC([NH2+][C@H]2CCN(C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000542067583 939702316 /nfs/dbraw/zinc/70/23/16/939702316.db2.gz SVXJIUPDEMSEBU-LEWJYISDSA-N 2 2 411.993 4.093 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000542660121 939852172 /nfs/dbraw/zinc/85/21/72/939852172.db2.gz CZUHIAQXSWHVLY-XZOQPEGZSA-N 2 2 409.555 4.055 20 0 HIADLP Cn1ccc([C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c2ccc(Cl)cc2)n1 ZINC000542697467 939855055 /nfs/dbraw/zinc/85/50/55/939855055.db2.gz MWTCPMHQJIIAGV-HSZRJFAPSA-N 2 2 424.980 4.200 20 0 HIADLP C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543059860 939914429 /nfs/dbraw/zinc/91/44/29/939914429.db2.gz KDNOQUVFPWNYTL-OAHLLOKOSA-N 2 2 415.538 4.151 20 0 HIADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060322 939914480 /nfs/dbraw/zinc/91/44/80/939914480.db2.gz BKOXJWSXDLLZDM-GOSISDBHSA-N 2 2 412.361 4.122 20 0 HIADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543063288 939915823 /nfs/dbraw/zinc/91/58/23/939915823.db2.gz OWWVYLAHZOLOCH-MRXNPFEDSA-N 2 2 419.367 4.165 20 0 HIADLP Cc1ccc2[nH]cc(CCC(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000543109605 939949322 /nfs/dbraw/zinc/94/93/22/939949322.db2.gz XCNDAGRJGJNISJ-RPBOFIJWSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1ccc2[nH]cc(CCC(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000543109605 939949336 /nfs/dbraw/zinc/94/93/36/939949336.db2.gz XCNDAGRJGJNISJ-RPBOFIJWSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000543230797 940002806 /nfs/dbraw/zinc/00/28/06/940002806.db2.gz HEVZIIPNYPMVCJ-UHFFFAOYSA-N 3 2 401.514 4.091 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000543230797 940002810 /nfs/dbraw/zinc/00/28/10/940002810.db2.gz HEVZIIPNYPMVCJ-UHFFFAOYSA-N 3 2 401.514 4.091 20 0 HIADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000543429946 940061787 /nfs/dbraw/zinc/06/17/87/940061787.db2.gz RFXKQGLPZPIMQL-ILBGXUMGSA-N 2 2 405.517 4.057 20 0 HIADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000543429946 940061789 /nfs/dbraw/zinc/06/17/89/940061789.db2.gz RFXKQGLPZPIMQL-ILBGXUMGSA-N 2 2 405.517 4.057 20 0 HIADLP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1nc(C(C)(C)C)cs1 ZINC000543514049 940091659 /nfs/dbraw/zinc/09/16/59/940091659.db2.gz ZQBSHUNNBTZELP-QGZVFWFLSA-N 2 2 414.619 4.003 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)cc2)CC1 ZINC000544359524 940401040 /nfs/dbraw/zinc/40/10/40/940401040.db2.gz LKIJYFBIXYECSZ-SANMLTNESA-N 2 2 418.560 4.237 20 0 HIADLP C[NH+](C)CCCCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000563905509 945321536 /nfs/dbraw/zinc/32/15/36/945321536.db2.gz WILFDUBGGVTLOZ-XMMPIXPASA-N 2 2 413.993 4.306 20 0 HIADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)CC3 ZINC000545191629 940555293 /nfs/dbraw/zinc/55/52/93/940555293.db2.gz WGYQFCRLKOJIHW-FXAWDEMLSA-N 2 2 404.558 4.244 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000545205272 940555801 /nfs/dbraw/zinc/55/58/01/940555801.db2.gz CKVJRNRYZMCYJV-QHCPKHFHSA-N 2 2 400.950 4.437 20 0 HIADLP CN(C(=O)c1ccc(F)c(Cl)c1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545477853 940571537 /nfs/dbraw/zinc/57/15/37/940571537.db2.gz CHKUAYAEJRJYOX-ROUUACIJSA-N 2 2 413.940 4.027 20 0 HIADLP CN(C(=O)c1ccc(F)c(Cl)c1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545477853 940571538 /nfs/dbraw/zinc/57/15/38/940571538.db2.gz CHKUAYAEJRJYOX-ROUUACIJSA-N 2 2 413.940 4.027 20 0 HIADLP Brc1ccc(Br)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000547830406 941077709 /nfs/dbraw/zinc/07/77/09/941077709.db2.gz ICBBHZQWPBVOJS-UHFFFAOYSA-N 2 2 402.174 4.176 20 0 HIADLP CC[NH+](CC)CCC[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000549163858 941167590 /nfs/dbraw/zinc/16/75/90/941167590.db2.gz DAVKDZCKNMTHDX-UHFFFAOYSA-N 2 2 421.383 4.410 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000549446485 941190861 /nfs/dbraw/zinc/19/08/61/941190861.db2.gz SUUJZZNNECMEFL-NVJIOZQYSA-N 2 2 401.570 4.074 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000549446485 941190862 /nfs/dbraw/zinc/19/08/62/941190862.db2.gz SUUJZZNNECMEFL-NVJIOZQYSA-N 2 2 401.570 4.074 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1=O ZINC000549446485 941190863 /nfs/dbraw/zinc/19/08/63/941190863.db2.gz SUUJZZNNECMEFL-NVJIOZQYSA-N 2 2 401.570 4.074 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1=O ZINC000549446485 941190864 /nfs/dbraw/zinc/19/08/64/941190864.db2.gz SUUJZZNNECMEFL-NVJIOZQYSA-N 2 2 401.570 4.074 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c2ccccc21 ZINC000549627472 941201962 /nfs/dbraw/zinc/20/19/62/941201962.db2.gz SCWBQTGWUHCTLM-QFWMQHCXSA-N 2 2 407.558 4.378 20 0 HIADLP Cn1ccnc1[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000552279350 941621130 /nfs/dbraw/zinc/62/11/30/941621130.db2.gz BNDNNDUEIFOGBJ-QHCPKHFHSA-N 2 2 424.976 4.427 20 0 HIADLP CCC[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000553555850 941908151 /nfs/dbraw/zinc/90/81/51/941908151.db2.gz CUNAFOIKHGITKK-DNQXCXABSA-N 2 2 416.569 4.445 20 0 HIADLP CCC[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000553555850 941908153 /nfs/dbraw/zinc/90/81/53/941908153.db2.gz CUNAFOIKHGITKK-DNQXCXABSA-N 2 2 416.569 4.445 20 0 HIADLP Cc1ccc2cccc(NC(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000553614979 941921621 /nfs/dbraw/zinc/92/16/21/941921621.db2.gz DCUIWWKIWIWZBL-PKTZIBPZSA-N 2 2 423.605 4.344 20 0 HIADLP Cc1ccc2cccc(NC(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2n1 ZINC000553614979 941921629 /nfs/dbraw/zinc/92/16/29/941921629.db2.gz DCUIWWKIWIWZBL-PKTZIBPZSA-N 2 2 423.605 4.344 20 0 HIADLP Cc1cc(OC[C@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(C(C)C)cc1Cl ZINC000554862670 942295379 /nfs/dbraw/zinc/29/53/79/942295379.db2.gz KHLZRPZHCIJQED-LJQANCHMSA-N 2 2 417.981 4.165 20 0 HIADLP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000555003514 942350833 /nfs/dbraw/zinc/35/08/33/942350833.db2.gz ZRMBEQZSNDQXKR-CXAGYDPISA-N 2 2 400.320 4.240 20 0 HIADLP CCC1(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000555364349 942496219 /nfs/dbraw/zinc/49/62/19/942496219.db2.gz ZOJROBTWXBRHMQ-GGAORHGYSA-N 2 2 423.605 4.168 20 0 HIADLP CCOc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc(Br)c1O ZINC000557888675 943321642 /nfs/dbraw/zinc/32/16/42/943321642.db2.gz FVIWYDNISHTWAY-UHFFFAOYSA-N 2 2 416.319 4.088 20 0 HIADLP FC(F)(F)CC1CC[NH+](CC2(C[NH+]3CCC(CC(F)(F)F)CC3)COC2)CC1 ZINC000560170292 944185358 /nfs/dbraw/zinc/18/53/58/944185358.db2.gz JVGFFHRBWBZBAF-UHFFFAOYSA-N 2 2 416.450 4.332 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nc2ccccc2n1C(F)F ZINC000561009331 944394833 /nfs/dbraw/zinc/39/48/33/944394833.db2.gz GGMPDGQBASUSAK-INIZCTEOSA-N 2 2 400.473 4.114 20 0 HIADLP Brc1cc(Br)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000561745545 944775456 /nfs/dbraw/zinc/77/54/56/944775456.db2.gz DLRZOKKEXDWLBC-UHFFFAOYSA-N 2 2 402.174 4.318 20 0 HIADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000565445662 945831944 /nfs/dbraw/zinc/83/19/44/945831944.db2.gz QSNKTBOFVHADTF-LJQANCHMSA-N 2 2 415.541 4.244 20 0 HIADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000565445662 945831947 /nfs/dbraw/zinc/83/19/47/945831947.db2.gz QSNKTBOFVHADTF-LJQANCHMSA-N 2 2 415.541 4.244 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000565906300 945911734 /nfs/dbraw/zinc/91/17/34/945911734.db2.gz SSLCAWPUOOJDOB-NTKDMRAZSA-N 2 2 409.549 4.132 20 0 HIADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)N(Cc1ccco1)c1ccccc1 ZINC000566581144 946046747 /nfs/dbraw/zinc/04/67/47/946046747.db2.gz JUBJYQAWFIKEBU-UHFFFAOYSA-N 2 2 406.530 4.202 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000384 946210801 /nfs/dbraw/zinc/21/08/01/946210801.db2.gz YWTBQNVRCYCHNH-RBUKOAKNSA-N 2 2 417.594 4.169 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000384 946210814 /nfs/dbraw/zinc/21/08/14/946210814.db2.gz YWTBQNVRCYCHNH-RBUKOAKNSA-N 2 2 417.594 4.169 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000384 946210828 /nfs/dbraw/zinc/21/08/28/946210828.db2.gz YWTBQNVRCYCHNH-RBUKOAKNSA-N 2 2 417.594 4.169 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000384 946210837 /nfs/dbraw/zinc/21/08/37/946210837.db2.gz YWTBQNVRCYCHNH-RBUKOAKNSA-N 2 2 417.594 4.169 20 0 HIADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000567037833 946225341 /nfs/dbraw/zinc/22/53/41/946225341.db2.gz COVISHXYKNHEGY-DENIHFKCSA-N 2 2 408.590 4.130 20 0 HIADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000567037833 946225351 /nfs/dbraw/zinc/22/53/51/946225351.db2.gz COVISHXYKNHEGY-DENIHFKCSA-N 2 2 408.590 4.130 20 0 HIADLP COc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc(Cl)c1OC ZINC000567408487 946327577 /nfs/dbraw/zinc/32/75/77/946327577.db2.gz QGWBAGHGFXQYCF-WOJBJXKFSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc(Cl)c1OC ZINC000567408487 946327588 /nfs/dbraw/zinc/32/75/88/946327588.db2.gz QGWBAGHGFXQYCF-WOJBJXKFSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc(Cl)c1OC ZINC000567408487 946327601 /nfs/dbraw/zinc/32/76/01/946327601.db2.gz QGWBAGHGFXQYCF-WOJBJXKFSA-N 2 2 400.950 4.311 20 0 HIADLP COc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc(Cl)c1OC ZINC000567408487 946327613 /nfs/dbraw/zinc/32/76/13/946327613.db2.gz QGWBAGHGFXQYCF-WOJBJXKFSA-N 2 2 400.950 4.311 20 0 HIADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000569711679 946949623 /nfs/dbraw/zinc/94/96/23/946949623.db2.gz KGGDURHGKGMCQZ-OFVILXPXSA-N 2 2 419.613 4.211 20 0 HIADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000569711679 946949665 /nfs/dbraw/zinc/94/96/65/946949665.db2.gz KGGDURHGKGMCQZ-OFVILXPXSA-N 2 2 419.613 4.211 20 0 HIADLP COCCSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570348871 947209379 /nfs/dbraw/zinc/20/93/79/947209379.db2.gz DQNHQHCWRNMQMP-NFBKMPQASA-N 2 2 414.615 4.367 20 0 HIADLP COCCSc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570348871 947209393 /nfs/dbraw/zinc/20/93/93/947209393.db2.gz DQNHQHCWRNMQMP-NFBKMPQASA-N 2 2 414.615 4.367 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323306 947884140 /nfs/dbraw/zinc/88/41/40/947884140.db2.gz BCWUKGFAIKJNJV-PMACEKPBSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323306 947884147 /nfs/dbraw/zinc/88/41/47/947884147.db2.gz BCWUKGFAIKJNJV-PMACEKPBSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323306 947884149 /nfs/dbraw/zinc/88/41/49/947884149.db2.gz BCWUKGFAIKJNJV-PMACEKPBSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323306 947884153 /nfs/dbraw/zinc/88/41/53/947884153.db2.gz BCWUKGFAIKJNJV-PMACEKPBSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c(-c2cnn(C)c2)c1 ZINC000573261125 948130762 /nfs/dbraw/zinc/13/07/62/948130762.db2.gz GMHRNYMWJMOQBP-OAQYLSRUSA-N 2 2 418.585 4.385 20 0 HIADLP CN(C(=O)Nc1ccccc1OC(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000573453572 948206167 /nfs/dbraw/zinc/20/61/67/948206167.db2.gz XPSYXKZSZJNZJR-RBUKOAKNSA-N 2 2 424.536 4.089 20 0 HIADLP CN(C(=O)Nc1ccccc1OC(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000573453572 948206178 /nfs/dbraw/zinc/20/61/78/948206178.db2.gz XPSYXKZSZJNZJR-RBUKOAKNSA-N 2 2 424.536 4.089 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N[C@@H](C)c3ccccc3Cl)C2)s1 ZINC000574486318 948456713 /nfs/dbraw/zinc/45/67/13/948456713.db2.gz ZMKUVMSVQBUZDR-ROUUACIJSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N[C@@H](C)c3ccccc3Cl)C2)s1 ZINC000574486318 948456717 /nfs/dbraw/zinc/45/67/17/948456717.db2.gz ZMKUVMSVQBUZDR-ROUUACIJSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@@H](C)c3ccccc3Cl)C2)s1 ZINC000574486318 948456720 /nfs/dbraw/zinc/45/67/20/948456720.db2.gz ZMKUVMSVQBUZDR-ROUUACIJSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@@H](C)c3ccccc3Cl)C2)s1 ZINC000574486318 948456725 /nfs/dbraw/zinc/45/67/25/948456725.db2.gz ZMKUVMSVQBUZDR-ROUUACIJSA-N 2 2 420.022 4.341 20 0 HIADLP COc1ccc(-c2nc(C[NH+]3CCN(c4cc[nH+]c5ccccc54)CC3)co2)cc1 ZINC000574724261 948512869 /nfs/dbraw/zinc/51/28/69/948512869.db2.gz CUUQPBFWECBEFS-UHFFFAOYSA-N 2 2 400.482 4.221 20 0 HIADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164711671 720103398 /nfs/dbraw/zinc/10/33/98/720103398.db2.gz SJHZOJVCKURQEY-HSZRJFAPSA-N 2 2 402.542 4.137 20 0 HIADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164711671 720103403 /nfs/dbraw/zinc/10/34/03/720103403.db2.gz SJHZOJVCKURQEY-HSZRJFAPSA-N 2 2 402.542 4.137 20 0 HIADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001164835232 720591142 /nfs/dbraw/zinc/59/11/42/720591142.db2.gz AQIMCIDJQAEXJO-WPFOTENUSA-N 2 2 422.621 4.407 20 0 HIADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(C2CCCCC2)[nH+]1 ZINC001164835232 720591160 /nfs/dbraw/zinc/59/11/60/720591160.db2.gz AQIMCIDJQAEXJO-WPFOTENUSA-N 2 2 422.621 4.407 20 0 HIADLP c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2cc(C4CC4)cc[nH+]2)C3)c1 ZINC001164757791 720894283 /nfs/dbraw/zinc/89/42/83/720894283.db2.gz VPJRCLLKZHWDGB-RSXGOPAZSA-N 2 2 418.585 4.109 20 0 HIADLP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2cc(C4CC4)cc[nH+]2)C3)c1 ZINC001164757791 720894286 /nfs/dbraw/zinc/89/42/86/720894286.db2.gz VPJRCLLKZHWDGB-RSXGOPAZSA-N 2 2 418.585 4.109 20 0 HIADLP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1 ZINC001164757542 720983787 /nfs/dbraw/zinc/98/37/87/720983787.db2.gz OTXUWSLMVKOUQD-ZJSXRUAMSA-N 2 2 423.605 4.278 20 0 HIADLP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1 ZINC001164757542 720983796 /nfs/dbraw/zinc/98/37/96/720983796.db2.gz OTXUWSLMVKOUQD-ZJSXRUAMSA-N 2 2 423.605 4.278 20 0 HIADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2 ZINC001164788810 721473543 /nfs/dbraw/zinc/47/35/43/721473543.db2.gz LHKFXUFSFLOWQW-QFIPXVFZSA-N 2 2 415.622 4.113 20 0 HIADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2 ZINC001164788810 721473545 /nfs/dbraw/zinc/47/35/45/721473545.db2.gz LHKFXUFSFLOWQW-QFIPXVFZSA-N 2 2 415.622 4.113 20 0 HIADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc(C2CCCCC2)[nH+]1 ZINC001164810534 721573180 /nfs/dbraw/zinc/57/31/80/721573180.db2.gz YRNHBFJYHWAWBB-CUYJMHBOSA-N 2 2 421.589 4.096 20 0 HIADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc(C2CCCCC2)[nH+]1 ZINC001164810534 721573181 /nfs/dbraw/zinc/57/31/81/721573181.db2.gz YRNHBFJYHWAWBB-CUYJMHBOSA-N 2 2 421.589 4.096 20 0 HIADLP FC1(F)CCN(c2[nH+]ccc3c4c([nH]c32)CCC4)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164909125 721735532 /nfs/dbraw/zinc/73/55/32/721735532.db2.gz BYKSQLMLYHJMME-QHCPKHFHSA-N 2 2 423.511 4.184 20 0 HIADLP FC1(F)CCN(c2[nH+]ccc3c4c([nH]c32)CCC4)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164909125 721735535 /nfs/dbraw/zinc/73/55/35/721735535.db2.gz BYKSQLMLYHJMME-QHCPKHFHSA-N 2 2 423.511 4.184 20 0 HIADLP COc1cc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)[nH+]c2ccccc21 ZINC001164940732 721929184 /nfs/dbraw/zinc/92/91/84/721929184.db2.gz ZISMXHOYMZAIQA-UHFFFAOYSA-N 2 2 417.553 4.423 20 0 HIADLP COc1cc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)[nH+]c2ccccc21 ZINC001164940732 721929186 /nfs/dbraw/zinc/92/91/86/721929186.db2.gz ZISMXHOYMZAIQA-UHFFFAOYSA-N 2 2 417.553 4.423 20 0 HIADLP Cc1ccc2cc[nH+]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164964709 722055959 /nfs/dbraw/zinc/05/59/59/722055959.db2.gz XDQRXARDMRMSNC-UHFFFAOYSA-N 2 2 402.542 4.057 20 0 HIADLP Cc1ccc2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2c1 ZINC001164964709 722055960 /nfs/dbraw/zinc/05/59/60/722055960.db2.gz XDQRXARDMRMSNC-UHFFFAOYSA-N 2 2 402.542 4.057 20 0 HIADLP CN(C(=O)C1CCC(C(F)(F)F)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000436045926 861335947 /nfs/dbraw/zinc/33/59/47/861335947.db2.gz FTBDHTUSFFLMAA-ZYKFHVCXSA-N 2 2 417.560 4.151 20 0 HIADLP CN(C(=O)C1CCC(C(F)(F)F)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000436045926 861335959 /nfs/dbraw/zinc/33/59/59/861335959.db2.gz FTBDHTUSFFLMAA-ZYKFHVCXSA-N 2 2 417.560 4.151 20 0 HIADLP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000436246910 861556021 /nfs/dbraw/zinc/55/60/21/861556021.db2.gz MTKPDKSMUMODMY-KBXCAEBGSA-N 2 2 400.876 4.265 20 0 HIADLP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000436246910 861556039 /nfs/dbraw/zinc/55/60/39/861556039.db2.gz MTKPDKSMUMODMY-KBXCAEBGSA-N 2 2 400.876 4.265 20 0 HIADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000017318167 846245351 /nfs/dbraw/zinc/24/53/51/846245351.db2.gz JEAGLQQPUQCUHK-UHFFFAOYSA-N 2 2 424.976 4.015 20 0 HIADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000045567870 848693032 /nfs/dbraw/zinc/69/30/32/848693032.db2.gz ULPIGZPBNCSSHY-UHFFFAOYSA-N 2 2 417.557 4.112 20 0 HIADLP COc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1OCc1ccc(Br)cc1 ZINC000047697551 849092946 /nfs/dbraw/zinc/09/29/46/849092946.db2.gz UXKSVJKCUHURAG-UHFFFAOYSA-N 2 2 416.319 4.023 20 0 HIADLP Brc1ccc(N2CC[C@H](C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc1 ZINC000054203816 849826697 /nfs/dbraw/zinc/82/66/97/849826697.db2.gz BLEPTFJVSHGEJK-GOSISDBHSA-N 2 2 411.347 4.251 20 0 HIADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000056764379 850472179 /nfs/dbraw/zinc/47/21/79/850472179.db2.gz QHIYZSICOXMNAL-UHFFFAOYSA-N 2 2 412.603 4.126 20 0 HIADLP CCOc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1OCC ZINC000057888697 850737883 /nfs/dbraw/zinc/73/78/83/850737883.db2.gz ILQPFVYCQPPUPW-UHFFFAOYSA-N 2 2 417.594 4.011 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000437027226 862209822 /nfs/dbraw/zinc/20/98/22/862209822.db2.gz JDOZBQKOUTXACM-UHFFFAOYSA-N 2 2 417.903 4.039 20 0 HIADLP c1ccc(Oc2cccc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)c2)cc1 ZINC000065014183 852040495 /nfs/dbraw/zinc/04/04/95/852040495.db2.gz UYFBPWMDMHXLDO-UHFFFAOYSA-N 2 2 418.537 4.480 20 0 HIADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000108188613 852827683 /nfs/dbraw/zinc/82/76/83/852827683.db2.gz VIKGHIBYAQIXKJ-UHFFFAOYSA-N 2 2 423.605 4.016 20 0 HIADLP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(Cl)s1 ZINC000109698899 853000932 /nfs/dbraw/zinc/00/09/32/853000932.db2.gz CDUCMBRVIKEOKK-UHFFFAOYSA-N 2 2 424.035 4.411 20 0 HIADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccc(Cl)s1 ZINC000109698899 853000935 /nfs/dbraw/zinc/00/09/35/853000935.db2.gz CDUCMBRVIKEOKK-UHFFFAOYSA-N 2 2 424.035 4.411 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227374373 853886131 /nfs/dbraw/zinc/88/61/31/853886131.db2.gz YTENFLPUFZLTQW-FZMZJTMJSA-N 2 2 420.189 4.183 20 0 HIADLP CCOc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227374373 853886133 /nfs/dbraw/zinc/88/61/33/853886133.db2.gz YTENFLPUFZLTQW-FZMZJTMJSA-N 2 2 420.189 4.183 20 0 HIADLP CCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000236793930 853923331 /nfs/dbraw/zinc/92/33/31/853923331.db2.gz PLTJFYNUAVUAAN-UHFFFAOYSA-N 2 2 418.379 4.387 20 0 HIADLP COc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OCc1c(C)noc1C ZINC000237364297 854014594 /nfs/dbraw/zinc/01/45/94/854014594.db2.gz NPYWXVNPDNZLLV-UHFFFAOYSA-N 2 2 422.529 4.033 20 0 HIADLP COc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OCc1cccs1 ZINC000237364506 854015781 /nfs/dbraw/zinc/01/57/81/854015781.db2.gz ZHIZXZVCSWJBFX-UHFFFAOYSA-N 2 2 409.555 4.489 20 0 HIADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)o1 ZINC000237370489 854016365 /nfs/dbraw/zinc/01/63/65/854016365.db2.gz LWDGTSSMWJGAFL-BEFAXECRSA-N 2 2 407.480 4.463 20 0 HIADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1OCc1ccncc1 ZINC000237437062 854033642 /nfs/dbraw/zinc/03/36/42/854033642.db2.gz ZSTYBPNPOPCHJH-DEOSSOPVSA-N 2 2 417.553 4.423 20 0 HIADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1OCc1ccncc1 ZINC000237437062 854033646 /nfs/dbraw/zinc/03/36/46/854033646.db2.gz ZSTYBPNPOPCHJH-DEOSSOPVSA-N 2 2 417.553 4.423 20 0 HIADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(Cl)nc3)CC2)c1 ZINC000237683293 854074941 /nfs/dbraw/zinc/07/49/41/854074941.db2.gz KLNUIWRJIFJPNO-UHFFFAOYSA-N 2 2 412.887 4.056 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000301139411 854308374 /nfs/dbraw/zinc/30/83/74/854308374.db2.gz CHNSRPWBRBYDTH-SFHVURJKSA-N 2 2 407.587 4.094 20 0 HIADLP c1nc(NC2CC[NH+](C3CCCC3)CC2)cc(NC2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000302284200 854559204 /nfs/dbraw/zinc/55/92/04/854559204.db2.gz LCYFEZFUYGQTAD-UHFFFAOYSA-N 3 2 412.626 4.114 20 0 HIADLP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccc(Cl)cc1 ZINC000303026685 854729190 /nfs/dbraw/zinc/72/91/90/854729190.db2.gz OJERPCVUXXTGRW-AQNXPRMDSA-N 2 2 406.014 4.350 20 0 HIADLP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccc(Cl)cc1 ZINC000303026685 854729195 /nfs/dbraw/zinc/72/91/95/854729195.db2.gz OJERPCVUXXTGRW-AQNXPRMDSA-N 2 2 406.014 4.350 20 0 HIADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)sc1-c1ccc(F)cc1 ZINC000303097319 854757820 /nfs/dbraw/zinc/75/78/20/854757820.db2.gz AXVLRDZCSPGEJV-UHFFFAOYSA-N 2 2 415.578 4.151 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2cccc(Oc3ccccc3)c2)([NH+]2CCCCC2)CC1 ZINC000303960491 855322569 /nfs/dbraw/zinc/32/25/69/855322569.db2.gz NCTYAVWIDBVINP-UHFFFAOYSA-N 2 2 407.558 4.159 20 0 HIADLP COc1ccc(Br)cc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383056097 855437206 /nfs/dbraw/zinc/43/72/06/855437206.db2.gz ODYOENSODZUAKE-GOSISDBHSA-N 2 2 403.364 4.412 20 0 HIADLP COc1ccc(Br)cc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383056097 855437210 /nfs/dbraw/zinc/43/72/10/855437210.db2.gz ODYOENSODZUAKE-GOSISDBHSA-N 2 2 403.364 4.412 20 0 HIADLP COc1ccc(Br)cc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383056097 855437215 /nfs/dbraw/zinc/43/72/15/855437215.db2.gz ODYOENSODZUAKE-GOSISDBHSA-N 2 2 403.364 4.412 20 0 HIADLP COc1ccc(Br)cc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383056097 855437220 /nfs/dbraw/zinc/43/72/20/855437220.db2.gz ODYOENSODZUAKE-GOSISDBHSA-N 2 2 403.364 4.412 20 0 HIADLP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000386024180 855441415 /nfs/dbraw/zinc/44/14/15/855441415.db2.gz XEBSCTNMIQAJNT-OAQYLSRUSA-N 2 2 403.364 4.460 20 0 HIADLP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000386024180 855441424 /nfs/dbraw/zinc/44/14/24/855441424.db2.gz XEBSCTNMIQAJNT-OAQYLSRUSA-N 2 2 403.364 4.460 20 0 HIADLP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410288414 855905566 /nfs/dbraw/zinc/90/55/66/855905566.db2.gz ACDMGFYFVRUSPJ-OFNKIYASSA-N 2 2 424.564 4.119 20 0 HIADLP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410288414 855905577 /nfs/dbraw/zinc/90/55/77/855905577.db2.gz ACDMGFYFVRUSPJ-OFNKIYASSA-N 2 2 424.564 4.119 20 0 HIADLP COC(=O)C1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000426071021 856086522 /nfs/dbraw/zinc/08/65/22/856086522.db2.gz FWUXPSOJKIBPMI-UHFFFAOYSA-N 2 2 403.526 4.420 20 0 HIADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000427386508 856803192 /nfs/dbraw/zinc/80/31/92/856803192.db2.gz HSOMAPISORGKNT-UHFFFAOYSA-N 2 2 419.525 4.049 20 0 HIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ncc(Br)cc1F ZINC000427716802 856921271 /nfs/dbraw/zinc/92/12/71/856921271.db2.gz BKSMNKRVHCAPFN-NVXWUHKLSA-N 2 2 406.343 4.198 20 0 HIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ncc(Br)cc1F ZINC000427716802 856921279 /nfs/dbraw/zinc/92/12/79/856921279.db2.gz BKSMNKRVHCAPFN-NVXWUHKLSA-N 2 2 406.343 4.198 20 0 HIADLP Fc1ccc(Br)cc1[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427875399 856990404 /nfs/dbraw/zinc/99/04/04/856990404.db2.gz SZKBVPLKGVEFMX-OXJNMPFZSA-N 2 2 400.295 4.479 20 0 HIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000428765774 857325184 /nfs/dbraw/zinc/32/51/84/857325184.db2.gz DXQGOZWQFFDTLD-PMACEKPBSA-N 2 2 423.605 4.039 20 0 HIADLP C[C@@H]([NH2+]Cc1nc2ccc(F)cc2s1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000428859861 857375190 /nfs/dbraw/zinc/37/51/90/857375190.db2.gz JOBNICRARXNHQD-CQSZACIVSA-N 2 2 402.514 4.177 20 0 HIADLP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429412396 857651807 /nfs/dbraw/zinc/65/18/07/857651807.db2.gz MPKQOJIAVLKKPE-WMZOPIPTSA-N 2 2 414.347 4.137 20 0 HIADLP COc1cc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1SC ZINC000429445417 857673792 /nfs/dbraw/zinc/67/37/92/857673792.db2.gz PKFQNTBOOKHNGS-NQIIRXRSSA-N 2 2 400.588 4.359 20 0 HIADLP COc1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1SC ZINC000429445417 857673798 /nfs/dbraw/zinc/67/37/98/857673798.db2.gz PKFQNTBOOKHNGS-NQIIRXRSSA-N 2 2 400.588 4.359 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000430201704 858080309 /nfs/dbraw/zinc/08/03/09/858080309.db2.gz ZPJOTZNBVIBFBD-FQEVSTJZSA-N 2 2 423.395 4.080 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cn2c1 ZINC000430675425 858264634 /nfs/dbraw/zinc/26/46/34/858264634.db2.gz MLRJYFNMNDMORJ-CTNGQTDRSA-N 2 2 422.598 4.045 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cn2c1 ZINC000430675425 858264640 /nfs/dbraw/zinc/26/46/40/858264640.db2.gz MLRJYFNMNDMORJ-CTNGQTDRSA-N 2 2 422.598 4.045 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cn2c1 ZINC000430675428 858264689 /nfs/dbraw/zinc/26/46/89/858264689.db2.gz MLRJYFNMNDMORJ-TZIWHRDSSA-N 2 2 422.598 4.045 20 0 HIADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cn2c1 ZINC000430675428 858264696 /nfs/dbraw/zinc/26/46/96/858264696.db2.gz MLRJYFNMNDMORJ-TZIWHRDSSA-N 2 2 422.598 4.045 20 0 HIADLP CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000430811832 858312972 /nfs/dbraw/zinc/31/29/72/858312972.db2.gz SKKXENFZKXHETQ-XMMPIXPASA-N 2 2 419.569 4.286 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000431718513 858760230 /nfs/dbraw/zinc/76/02/30/858760230.db2.gz DJLRPZPBXBPYHZ-OAQYLSRUSA-N 2 2 416.569 4.022 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000431718513 858760242 /nfs/dbraw/zinc/76/02/42/858760242.db2.gz DJLRPZPBXBPYHZ-OAQYLSRUSA-N 2 2 416.569 4.022 20 0 HIADLP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433168048 859550359 /nfs/dbraw/zinc/55/03/59/859550359.db2.gz QAYDCFRXQIZGHB-HXUWFJFHSA-N 2 2 412.578 4.291 20 0 HIADLP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433168048 859550366 /nfs/dbraw/zinc/55/03/66/859550366.db2.gz QAYDCFRXQIZGHB-HXUWFJFHSA-N 2 2 412.578 4.291 20 0 HIADLP CCC(CC)(CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000434188611 860177329 /nfs/dbraw/zinc/17/73/29/860177329.db2.gz IQBZITFAPPHDQY-SIKLNZKXSA-N 2 2 410.562 4.154 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000434291314 860256584 /nfs/dbraw/zinc/25/65/84/860256584.db2.gz BROIFABGJJZTEE-QFIPXVFZSA-N 2 2 421.029 4.239 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000434291314 860256597 /nfs/dbraw/zinc/25/65/97/860256597.db2.gz BROIFABGJJZTEE-QFIPXVFZSA-N 2 2 421.029 4.239 20 0 HIADLP C[C@@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434673705 860455146 /nfs/dbraw/zinc/45/51/46/860455146.db2.gz FFXZANMTAMRDSB-HNNXBMFYSA-N 2 2 409.559 4.036 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434751231 860481199 /nfs/dbraw/zinc/48/11/99/860481199.db2.gz CUUHZBQCOCDYFC-DLBZAZTESA-N 2 2 414.981 4.318 20 0 HIADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)cc1C ZINC000434906343 860548583 /nfs/dbraw/zinc/54/85/83/860548583.db2.gz UBBSPDQTSJXCSY-YADHBBJMSA-N 2 2 416.610 4.113 20 0 HIADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)cc1C ZINC000434906343 860548591 /nfs/dbraw/zinc/54/85/91/860548591.db2.gz UBBSPDQTSJXCSY-YADHBBJMSA-N 2 2 416.610 4.113 20 0 HIADLP COc1cc(Br)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1O ZINC000435056635 860618861 /nfs/dbraw/zinc/61/88/61/860618861.db2.gz IBBSLPYKSJTZRP-UHFFFAOYSA-N 2 2 420.351 4.076 20 0 HIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536848 860850585 /nfs/dbraw/zinc/85/05/85/860850585.db2.gz MJMWKBMZGYZMTF-RSYZFUPGSA-N 2 2 408.586 4.021 20 0 HIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536848 860850587 /nfs/dbraw/zinc/85/05/87/860850587.db2.gz MJMWKBMZGYZMTF-RSYZFUPGSA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536848 860850590 /nfs/dbraw/zinc/85/05/90/860850590.db2.gz MJMWKBMZGYZMTF-RSYZFUPGSA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536848 860850599 /nfs/dbraw/zinc/85/05/99/860850599.db2.gz MJMWKBMZGYZMTF-RSYZFUPGSA-N 2 2 408.586 4.021 20 0 HIADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000438344673 863815228 /nfs/dbraw/zinc/81/52/28/863815228.db2.gz JILXTZZZDCLCSH-XWGVYQGASA-N 2 2 421.589 4.208 20 0 HIADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000438344673 863815234 /nfs/dbraw/zinc/81/52/34/863815234.db2.gz JILXTZZZDCLCSH-XWGVYQGASA-N 2 2 421.589 4.208 20 0 HIADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000438999967 864454874 /nfs/dbraw/zinc/45/48/74/864454874.db2.gz MVOILEKGPUUURG-YHEJKZAPSA-N 2 2 401.576 4.449 20 0 HIADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000438999967 864454880 /nfs/dbraw/zinc/45/48/80/864454880.db2.gz MVOILEKGPUUURG-YHEJKZAPSA-N 2 2 401.576 4.449 20 0 HIADLP CC[N@H+](CCc1ccc2c(c1)CCO2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440694985 865868319 /nfs/dbraw/zinc/86/83/19/865868319.db2.gz PROXZJIDCABVNN-UHFFFAOYSA-N 2 2 408.590 4.377 20 0 HIADLP CC[N@@H+](CCc1ccc2c(c1)CCO2)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440694985 865868321 /nfs/dbraw/zinc/86/83/21/865868321.db2.gz PROXZJIDCABVNN-UHFFFAOYSA-N 2 2 408.590 4.377 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000440815229 865932564 /nfs/dbraw/zinc/93/25/64/865932564.db2.gz HSVCAJLRSPONQL-GGAORHGYSA-N 2 2 411.594 4.195 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000440815229 865932574 /nfs/dbraw/zinc/93/25/74/865932574.db2.gz HSVCAJLRSPONQL-GGAORHGYSA-N 2 2 411.594 4.195 20 0 HIADLP CCOc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000441374938 866442538 /nfs/dbraw/zinc/44/25/38/866442538.db2.gz IJNLYUITHMKUPZ-AUSIDOKSSA-N 2 2 406.530 4.257 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NCc2ccccc2Cl)c(C)c1 ZINC000441379429 866450619 /nfs/dbraw/zinc/45/06/19/866450619.db2.gz GKLXOOHDNHNMAQ-PGRDOPGGSA-N 2 2 410.949 4.189 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441382410 866454224 /nfs/dbraw/zinc/45/42/24/866454224.db2.gz UDPJDRQHUFOJKO-SIKLNZKXSA-N 2 2 406.530 4.175 20 0 HIADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N(CCc1ccccc1)Cc1ccccc1 ZINC000441439765 866516616 /nfs/dbraw/zinc/51/66/16/866516616.db2.gz WMUXQZASTSXDPU-AREMUKBSSA-N 2 2 419.613 4.066 20 0 HIADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N(CCc1ccccc1)Cc1ccccc1 ZINC000441439765 866516627 /nfs/dbraw/zinc/51/66/27/866516627.db2.gz WMUXQZASTSXDPU-AREMUKBSSA-N 2 2 419.613 4.066 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000441500320 866583194 /nfs/dbraw/zinc/58/31/94/866583194.db2.gz OGPLLYRWGYKJKR-VWLOTQADSA-N 2 2 416.569 4.270 20 0 HIADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441912809 866978553 /nfs/dbraw/zinc/97/85/53/866978553.db2.gz VLWFHBQWWPYLAW-INIZCTEOSA-N 2 2 403.368 4.070 20 0 HIADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441912809 866978564 /nfs/dbraw/zinc/97/85/64/866978564.db2.gz VLWFHBQWWPYLAW-INIZCTEOSA-N 2 2 403.368 4.070 20 0 HIADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441912809 866978575 /nfs/dbraw/zinc/97/85/75/866978575.db2.gz VLWFHBQWWPYLAW-INIZCTEOSA-N 2 2 403.368 4.070 20 0 HIADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441912809 866978587 /nfs/dbraw/zinc/97/85/87/866978587.db2.gz VLWFHBQWWPYLAW-INIZCTEOSA-N 2 2 403.368 4.070 20 0 HIADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441912810 866978717 /nfs/dbraw/zinc/97/87/17/866978717.db2.gz VLWFHBQWWPYLAW-MRXNPFEDSA-N 2 2 403.368 4.070 20 0 HIADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441912810 866978732 /nfs/dbraw/zinc/97/87/32/866978732.db2.gz VLWFHBQWWPYLAW-MRXNPFEDSA-N 2 2 403.368 4.070 20 0 HIADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441912810 866978738 /nfs/dbraw/zinc/97/87/38/866978738.db2.gz VLWFHBQWWPYLAW-MRXNPFEDSA-N 2 2 403.368 4.070 20 0 HIADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000441912810 866978746 /nfs/dbraw/zinc/97/87/46/866978746.db2.gz VLWFHBQWWPYLAW-MRXNPFEDSA-N 2 2 403.368 4.070 20 0 HIADLP Fc1ccc(Br)c2[nH+]ccc(N3CCC(OCC[NH+]4CCCC4)CC3)c12 ZINC000443513093 868076892 /nfs/dbraw/zinc/07/68/92/868076892.db2.gz YJOWSWOJSVDIOM-UHFFFAOYSA-N 2 2 422.342 4.218 20 0 HIADLP C[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000443581963 868138210 /nfs/dbraw/zinc/13/82/10/868138210.db2.gz MKIFGTLPTPSVRN-NRFANRHFSA-N 2 2 406.492 4.205 20 0 HIADLP C[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000443581963 868138218 /nfs/dbraw/zinc/13/82/18/868138218.db2.gz MKIFGTLPTPSVRN-NRFANRHFSA-N 2 2 406.492 4.205 20 0 HIADLP CC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000443611231 868175074 /nfs/dbraw/zinc/17/50/74/868175074.db2.gz VSVIAJQPAHAIOE-FQEVSTJZSA-N 2 2 421.507 4.242 20 0 HIADLP CC[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000443611231 868175081 /nfs/dbraw/zinc/17/50/81/868175081.db2.gz VSVIAJQPAHAIOE-FQEVSTJZSA-N 2 2 421.507 4.242 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)cc1F ZINC000446757133 870668455 /nfs/dbraw/zinc/66/84/55/870668455.db2.gz QXDQRVGNJXHPEM-OAHLLOKOSA-N 2 2 407.327 4.271 20 0 HIADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000447580378 871480396 /nfs/dbraw/zinc/48/03/96/871480396.db2.gz OGQMCRQWSOREGF-MPIKPJSNSA-N 2 2 400.570 4.411 20 0 HIADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000447580378 871480430 /nfs/dbraw/zinc/48/04/30/871480430.db2.gz OGQMCRQWSOREGF-MPIKPJSNSA-N 2 2 400.570 4.411 20 0 HIADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000448027323 871866296 /nfs/dbraw/zinc/86/62/96/871866296.db2.gz MNEMQFFYRKPKHM-CJFMBICVSA-N 2 2 417.601 4.392 20 0 HIADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000448027323 871866299 /nfs/dbraw/zinc/86/62/99/871866299.db2.gz MNEMQFFYRKPKHM-CJFMBICVSA-N 2 2 417.601 4.392 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000460486051 873172810 /nfs/dbraw/zinc/17/28/10/873172810.db2.gz FLLQOKJTVILKAC-PMACEKPBSA-N 2 2 424.416 4.163 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2ccccc2OC2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000460489764 873175778 /nfs/dbraw/zinc/17/57/78/873175778.db2.gz LYSZABZOCWAGKJ-UHFFFAOYSA-N 2 2 413.606 4.078 20 0 HIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)[C@H](C)C1 ZINC000463120909 876162987 /nfs/dbraw/zinc/16/29/87/876162987.db2.gz ARJILFMZDQLFDK-RDTXWAMCSA-N 2 2 403.792 4.329 20 0 HIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)[C@H](C)C1 ZINC000463120909 876163006 /nfs/dbraw/zinc/16/30/06/876163006.db2.gz ARJILFMZDQLFDK-RDTXWAMCSA-N 2 2 403.792 4.329 20 0 HIADLP Clc1ccc(CN2CCC([NH2+]CCc3[nH+]ccn3Cc3ccccc3)CC2)cc1 ZINC000463139955 876190284 /nfs/dbraw/zinc/19/02/84/876190284.db2.gz JFDQELDVJOUKLP-UHFFFAOYSA-N 2 2 408.977 4.382 20 0 HIADLP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(OC[C@@H]2CCCO2)c1 ZINC000463189089 876248173 /nfs/dbraw/zinc/24/81/73/876248173.db2.gz ILBISVIFMVJXOF-VWLOTQADSA-N 2 2 408.586 4.350 20 0 HIADLP CN(C(=O)NCc1ccc(C(F)F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000463219819 876278951 /nfs/dbraw/zinc/27/89/51/876278951.db2.gz AJGPESJTHZKOSQ-SFTDATJTSA-N 2 2 422.564 4.103 20 0 HIADLP CN(C(=O)NCc1ccc(C(F)F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000463219819 876278968 /nfs/dbraw/zinc/27/89/68/876278968.db2.gz AJGPESJTHZKOSQ-SFTDATJTSA-N 2 2 422.564 4.103 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000463293559 876353922 /nfs/dbraw/zinc/35/39/22/876353922.db2.gz KRVLHFOBLSPNJH-HSZRJFAPSA-N 2 2 416.512 4.256 20 0 HIADLP CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804780 878050870 /nfs/dbraw/zinc/05/08/70/878050870.db2.gz IMZAZBYPIWGEAP-UHFFFAOYSA-N 2 2 404.917 4.051 20 0 HIADLP CC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804780 878050884 /nfs/dbraw/zinc/05/08/84/878050884.db2.gz IMZAZBYPIWGEAP-UHFFFAOYSA-N 2 2 404.917 4.051 20 0 HIADLP CCC[C@H](NC(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000464807603 878054861 /nfs/dbraw/zinc/05/48/61/878054861.db2.gz UXJWVQVQWFRYNH-QHCPKHFHSA-N 2 2 408.590 4.278 20 0 HIADLP CCC[C@H](NC(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000464807603 878054875 /nfs/dbraw/zinc/05/48/75/878054875.db2.gz UXJWVQVQWFRYNH-QHCPKHFHSA-N 2 2 408.590 4.278 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464839350 878104549 /nfs/dbraw/zinc/10/45/49/878104549.db2.gz XVCRENLOTNXCLY-TUNNFDKTSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464839350 878104569 /nfs/dbraw/zinc/10/45/69/878104569.db2.gz XVCRENLOTNXCLY-TUNNFDKTSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464839350 878104585 /nfs/dbraw/zinc/10/45/85/878104585.db2.gz XVCRENLOTNXCLY-TUNNFDKTSA-N 2 2 419.569 4.452 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464839350 878104601 /nfs/dbraw/zinc/10/46/01/878104601.db2.gz XVCRENLOTNXCLY-TUNNFDKTSA-N 2 2 419.569 4.452 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503388451 912371039 /nfs/dbraw/zinc/37/10/39/912371039.db2.gz CNJWJONJRDTMGY-UNMCSNQZSA-N 2 2 408.590 4.225 20 0 HIADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503388451 912371058 /nfs/dbraw/zinc/37/10/58/912371058.db2.gz CNJWJONJRDTMGY-UNMCSNQZSA-N 2 2 408.590 4.225 20 0 HIADLP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000503438376 912448880 /nfs/dbraw/zinc/44/88/80/912448880.db2.gz HDPWNXWTCPOKDZ-XMSQKQJNSA-N 2 2 410.537 4.042 20 0 HIADLP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000503438376 912448900 /nfs/dbraw/zinc/44/89/00/912448900.db2.gz HDPWNXWTCPOKDZ-XMSQKQJNSA-N 2 2 410.537 4.042 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000465971777 879641868 /nfs/dbraw/zinc/64/18/68/879641868.db2.gz HMMYTQNPZKZECA-NRFANRHFSA-N 2 2 423.045 4.485 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000465971777 879641875 /nfs/dbraw/zinc/64/18/75/879641875.db2.gz HMMYTQNPZKZECA-NRFANRHFSA-N 2 2 423.045 4.485 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2-c2cccs2)([NH+]2CCCCC2)CC1 ZINC000466143098 879853519 /nfs/dbraw/zinc/85/35/19/879853519.db2.gz QABGUFQFKNIMLO-UHFFFAOYSA-N 2 2 412.603 4.487 20 0 HIADLP CCCCOc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)c1 ZINC000466157067 879861982 /nfs/dbraw/zinc/86/19/82/879861982.db2.gz JRUYBVJADSURRO-UHFFFAOYSA-N 2 2 416.610 4.246 20 0 HIADLP Cc1oc2ccccc2c1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466278202 880017150 /nfs/dbraw/zinc/01/71/50/880017150.db2.gz OWNBURPKWXPXRT-GOTSBHOMSA-N 2 2 411.590 4.079 20 0 HIADLP Cc1oc2ccccc2c1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466278202 880017161 /nfs/dbraw/zinc/01/71/61/880017161.db2.gz OWNBURPKWXPXRT-GOTSBHOMSA-N 2 2 411.590 4.079 20 0 HIADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC(OCC[NH+](CC)CC)CC1 ZINC000467023851 880824779 /nfs/dbraw/zinc/82/47/79/880824779.db2.gz MTTHLCINGZBORS-UHFFFAOYSA-N 2 2 413.562 4.047 20 0 HIADLP COc1ccc(CCn2c(C)cc(C(=O)C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)c2C)cc1 ZINC000467152223 880889020 /nfs/dbraw/zinc/88/90/20/880889020.db2.gz NOBUPYWOCDAJTL-UHFFFAOYSA-N 2 2 420.557 4.142 20 0 HIADLP CCCn1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000469368096 883492982 /nfs/dbraw/zinc/49/29/82/883492982.db2.gz UZOCMMHXJMTBIM-DNQXCXABSA-N 2 2 424.633 4.461 20 0 HIADLP CCCn1c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000469368096 883492998 /nfs/dbraw/zinc/49/29/98/883492998.db2.gz UZOCMMHXJMTBIM-DNQXCXABSA-N 2 2 424.633 4.461 20 0 HIADLP Cc1cn2cc(NC(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)[NH+](C)C)ccc2[nH+]1 ZINC000469668839 883860397 /nfs/dbraw/zinc/86/03/97/883860397.db2.gz ZQBIZTGDPSLPCW-KRWDZBQOSA-N 2 2 405.424 4.086 20 0 HIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(-c3cccc(OC)c3)n2)[C@H](C)C1 ZINC000469761470 883927262 /nfs/dbraw/zinc/92/72/62/883927262.db2.gz ADQIXSURWROBPB-DYESRHJHSA-N 2 2 403.592 4.045 20 0 HIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2csc(-c3cccc(OC)c3)n2)[C@H](C)C1 ZINC000469761470 883927276 /nfs/dbraw/zinc/92/72/76/883927276.db2.gz ADQIXSURWROBPB-DYESRHJHSA-N 2 2 403.592 4.045 20 0 HIADLP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCCC1)c1ccccc1 ZINC000469765195 883936641 /nfs/dbraw/zinc/93/66/41/883936641.db2.gz SBZLHZTYAWDYLK-URVUXULASA-N 2 2 409.578 4.139 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc(-c3c(F)cccc3F)cs2)[C@@H](C)C1 ZINC000469790065 883965720 /nfs/dbraw/zinc/96/57/20/883965720.db2.gz HPWHYTFDYGONML-YJBOKZPZSA-N 2 2 409.546 4.315 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc(-c3c(F)cccc3F)cs2)[C@@H](C)C1 ZINC000469790065 883965738 /nfs/dbraw/zinc/96/57/38/883965738.db2.gz HPWHYTFDYGONML-YJBOKZPZSA-N 2 2 409.546 4.315 20 0 HIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+]Cc3ccc(-n4cncn4)cc3)cc2)c[nH+]1 ZINC000504164776 913054417 /nfs/dbraw/zinc/05/44/17/913054417.db2.gz ZUKORKRVULBCQD-UHFFFAOYSA-N 2 2 420.520 4.469 20 0 HIADLP C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000473045407 887868008 /nfs/dbraw/zinc/86/80/08/887868008.db2.gz WZJQXSGCCYYRFM-KXBFYZLASA-N 2 2 414.431 4.347 20 0 HIADLP O=C1[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCN1c1ccccc1C(F)(F)F ZINC000473048797 887871127 /nfs/dbraw/zinc/87/11/27/887871127.db2.gz JNUNAZFODWQAAJ-FQEVSTJZSA-N 2 2 420.479 4.200 20 0 HIADLP Cc1ccc(C(F)(F)F)cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000473049709 887872440 /nfs/dbraw/zinc/87/24/40/887872440.db2.gz SSXIBVAYHZRCSU-UHFFFAOYSA-N 2 2 412.500 4.086 20 0 HIADLP COc1ccc2nc(C[NH2+][C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)sc2c1 ZINC000474350068 889226536 /nfs/dbraw/zinc/22/65/36/889226536.db2.gz ASPOTZYNNHUICH-HNNXBMFYSA-N 2 2 414.550 4.047 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000474510283 889374292 /nfs/dbraw/zinc/37/42/92/889374292.db2.gz JXJDPQUZVUXFSR-MOJGAOKDSA-N 2 2 424.589 4.005 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000474510283 889374308 /nfs/dbraw/zinc/37/43/08/889374308.db2.gz JXJDPQUZVUXFSR-MOJGAOKDSA-N 2 2 424.589 4.005 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C2 ZINC000474896436 889755094 /nfs/dbraw/zinc/75/50/94/889755094.db2.gz QJJWFRFWNUJGAP-RTBURBONSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C2 ZINC000474896436 889755104 /nfs/dbraw/zinc/75/51/04/889755104.db2.gz QJJWFRFWNUJGAP-RTBURBONSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)CC2 ZINC000474896436 889755117 /nfs/dbraw/zinc/75/51/17/889755117.db2.gz QJJWFRFWNUJGAP-RTBURBONSA-N 2 2 408.590 4.329 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)CC2 ZINC000474896436 889755130 /nfs/dbraw/zinc/75/51/30/889755130.db2.gz QJJWFRFWNUJGAP-RTBURBONSA-N 2 2 408.590 4.329 20 0 HIADLP COc1ccc(C[C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OC ZINC000475339229 890260419 /nfs/dbraw/zinc/26/04/19/890260419.db2.gz WAHJBIVVKRZEAL-RWBZWWBESA-N 2 2 400.485 4.030 20 0 HIADLP CCOc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1OCC ZINC000475355855 890280809 /nfs/dbraw/zinc/28/08/09/890280809.db2.gz WPPHZDCLTDEAFW-UHFFFAOYSA-N 2 2 400.485 4.379 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cccc(C[NH+]3CCC(C)CC3)c1)C2 ZINC000475535120 890459214 /nfs/dbraw/zinc/45/92/14/890459214.db2.gz ZVROXJDSMQDJPM-OAQYLSRUSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cccc(C[NH+]3CCC(C)CC3)c1)CC2 ZINC000475535120 890459222 /nfs/dbraw/zinc/45/92/22/890459222.db2.gz ZVROXJDSMQDJPM-OAQYLSRUSA-N 2 2 408.590 4.186 20 0 HIADLP OC[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1C(F)(F)F ZINC000475640533 890582673 /nfs/dbraw/zinc/58/26/73/890582673.db2.gz SDWALJCXCYVTEO-MRXNPFEDSA-N 2 2 401.841 4.429 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000476573648 891495058 /nfs/dbraw/zinc/49/50/58/891495058.db2.gz MLAFMEGLFULRTK-IBGZPJMESA-N 2 2 423.523 4.004 20 0 HIADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000476573648 891495072 /nfs/dbraw/zinc/49/50/72/891495072.db2.gz MLAFMEGLFULRTK-IBGZPJMESA-N 2 2 423.523 4.004 20 0 HIADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000476575330 891496841 /nfs/dbraw/zinc/49/68/41/891496841.db2.gz LGAOHHUAJRJOOC-DYESRHJHSA-N 2 2 424.416 4.465 20 0 HIADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000476575330 891496854 /nfs/dbraw/zinc/49/68/54/891496854.db2.gz LGAOHHUAJRJOOC-DYESRHJHSA-N 2 2 424.416 4.465 20 0 HIADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000476816399 891802040 /nfs/dbraw/zinc/80/20/40/891802040.db2.gz CSZDSZSWXJGLRT-HXUWFJFHSA-N 2 2 409.574 4.479 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000476987636 891913996 /nfs/dbraw/zinc/91/39/96/891913996.db2.gz UGOQOWCSUFTHCS-QGZVFWFLSA-N 2 2 409.521 4.203 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000476987636 891914010 /nfs/dbraw/zinc/91/40/10/891914010.db2.gz UGOQOWCSUFTHCS-QGZVFWFLSA-N 2 2 409.521 4.203 20 0 HIADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000479503157 894819818 /nfs/dbraw/zinc/81/98/18/894819818.db2.gz NOAYFSMOVZURTC-DZIBYMRMSA-N 3 2 413.528 4.083 20 0 HIADLP Brc1ccccc1-c1nc2c(s1)[C@H]([NH2+]CCn1cc[nH+]c1)CCC2 ZINC000480072486 895424757 /nfs/dbraw/zinc/42/47/57/895424757.db2.gz RDHAFKRQZVWFIW-OAHLLOKOSA-N 2 2 403.349 4.436 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000480711961 896074121 /nfs/dbraw/zinc/07/41/21/896074121.db2.gz RKGJBHQGBJUKRY-MBSDFSHPSA-N 2 2 415.603 4.009 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000480711961 896074133 /nfs/dbraw/zinc/07/41/33/896074133.db2.gz RKGJBHQGBJUKRY-MBSDFSHPSA-N 2 2 415.603 4.009 20 0 HIADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CC1 ZINC000480757901 896120339 /nfs/dbraw/zinc/12/03/39/896120339.db2.gz CIWPQAQTPMMHAU-YRQBIXJDSA-N 2 2 403.570 4.319 20 0 HIADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C1CC1 ZINC000480757901 896120346 /nfs/dbraw/zinc/12/03/46/896120346.db2.gz CIWPQAQTPMMHAU-YRQBIXJDSA-N 2 2 403.570 4.319 20 0 HIADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000480905125 896260926 /nfs/dbraw/zinc/26/09/26/896260926.db2.gz WNWZXOCFAXNVBH-SFHVURJKSA-N 2 2 403.517 4.195 20 0 HIADLP C[NH+](C)CC1CC[NH+](Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)CC1 ZINC000481003188 896335485 /nfs/dbraw/zinc/33/54/85/896335485.db2.gz ULBQRADMYBVTPK-UHFFFAOYSA-N 2 2 416.978 4.491 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000481005632 896336408 /nfs/dbraw/zinc/33/64/08/896336408.db2.gz FSNOLUOMDDBEPL-PKTZIBPZSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000481005632 896336418 /nfs/dbraw/zinc/33/64/18/896336418.db2.gz FSNOLUOMDDBEPL-PKTZIBPZSA-N 2 2 400.611 4.358 20 0 HIADLP CCSc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000481167237 896502139 /nfs/dbraw/zinc/50/21/39/896502139.db2.gz OTAZPQSIDWQBFW-YADHBBJMSA-N 2 2 403.636 4.208 20 0 HIADLP CCSc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000481167237 896502154 /nfs/dbraw/zinc/50/21/54/896502154.db2.gz OTAZPQSIDWQBFW-YADHBBJMSA-N 2 2 403.636 4.208 20 0 HIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCS2 ZINC000481185641 896532916 /nfs/dbraw/zinc/53/29/16/896532916.db2.gz DJWFQUQEOZQMOZ-FQEVSTJZSA-N 2 2 418.990 4.378 20 0 HIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCS2 ZINC000481185642 896533792 /nfs/dbraw/zinc/53/37/92/896533792.db2.gz DJWFQUQEOZQMOZ-HXUWFJFHSA-N 2 2 418.990 4.378 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cc2ccccc2o1 ZINC000481189030 896538201 /nfs/dbraw/zinc/53/82/01/896538201.db2.gz ZPNCLKOTRUPBMZ-ISHFTEKXSA-N 2 2 419.569 4.499 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc2ccccc2o1 ZINC000481189030 896538215 /nfs/dbraw/zinc/53/82/15/896538215.db2.gz ZPNCLKOTRUPBMZ-ISHFTEKXSA-N 2 2 419.569 4.499 20 0 HIADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCCO2 ZINC000481192428 896543673 /nfs/dbraw/zinc/54/36/73/896543673.db2.gz POMSFKQTJHGDSD-NRFANRHFSA-N 2 2 416.949 4.055 20 0 HIADLP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481201831 896555253 /nfs/dbraw/zinc/55/52/53/896555253.db2.gz KHWIQEQBIMYRJH-FQEVSTJZSA-N 2 2 421.368 4.482 20 0 HIADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000481247449 896598816 /nfs/dbraw/zinc/59/88/16/896598816.db2.gz SIQTUVXEVXPZSA-HNNXBMFYSA-N 2 2 411.402 4.369 20 0 HIADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2ccccc12 ZINC000481395950 896802970 /nfs/dbraw/zinc/80/29/70/896802970.db2.gz AHUXMHWLIWIKCT-FQEVSTJZSA-N 2 2 420.553 4.410 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000481572566 896952169 /nfs/dbraw/zinc/95/21/69/896952169.db2.gz YSNCIGLZURHUKY-KRWDZBQOSA-N 2 2 405.477 4.175 20 0 HIADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000482197009 897672782 /nfs/dbraw/zinc/67/27/82/897672782.db2.gz FBBFXUDATMCXEZ-UHFFFAOYSA-N 2 2 401.466 4.268 20 0 HIADLP CCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)N1CCc2sccc2C1 ZINC000482253635 897735004 /nfs/dbraw/zinc/73/50/04/897735004.db2.gz RFFUYMAYLFFBGD-UWJYYQICSA-N 2 2 408.571 4.338 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1)C(C)C ZINC000505511235 914200760 /nfs/dbraw/zinc/20/07/60/914200760.db2.gz BOFJNUUHXBWJFH-NRFANRHFSA-N 2 2 423.601 4.445 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1)C(C)C ZINC000505511235 914200779 /nfs/dbraw/zinc/20/07/79/914200779.db2.gz BOFJNUUHXBWJFH-NRFANRHFSA-N 2 2 423.601 4.445 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000482431728 897987110 /nfs/dbraw/zinc/98/71/10/897987110.db2.gz DEYWWCKVYXFFGN-NFBKMPQASA-N 2 2 403.574 4.099 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000482431728 897987115 /nfs/dbraw/zinc/98/71/15/897987115.db2.gz DEYWWCKVYXFFGN-NFBKMPQASA-N 2 2 403.574 4.099 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)oc1C ZINC000482883106 898497858 /nfs/dbraw/zinc/49/78/58/898497858.db2.gz CJXZTCDSYLKUJF-YADARESESA-N 3 2 410.606 4.004 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)oc1C ZINC000482883106 898497861 /nfs/dbraw/zinc/49/78/61/898497861.db2.gz CJXZTCDSYLKUJF-YADARESESA-N 3 2 410.606 4.004 20 0 HIADLP Cc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)oc1C ZINC000482883106 898497866 /nfs/dbraw/zinc/49/78/66/898497866.db2.gz CJXZTCDSYLKUJF-YADARESESA-N 2 2 410.606 4.004 20 0 HIADLP Cc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)oc1C ZINC000482883106 898497872 /nfs/dbraw/zinc/49/78/72/898497872.db2.gz CJXZTCDSYLKUJF-YADARESESA-N 2 2 410.606 4.004 20 0 HIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000483121690 898808988 /nfs/dbraw/zinc/80/89/88/898808988.db2.gz QGAXDQITYJHSTM-OFNKIYASSA-N 2 2 404.558 4.314 20 0 HIADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(OCc2nccn2C)cc1 ZINC000483121690 898808991 /nfs/dbraw/zinc/80/89/91/898808991.db2.gz QGAXDQITYJHSTM-OFNKIYASSA-N 2 2 404.558 4.314 20 0 HIADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000483407212 899039221 /nfs/dbraw/zinc/03/92/21/899039221.db2.gz RQIBSGSHINADAS-FQEVSTJZSA-N 2 2 411.615 4.256 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000483720660 899381005 /nfs/dbraw/zinc/38/10/05/899381005.db2.gz GKAYMDVMVAVKID-HFZDXXHNSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+](C)Cc1ccco1 ZINC000483720660 899381020 /nfs/dbraw/zinc/38/10/20/899381020.db2.gz GKAYMDVMVAVKID-HFZDXXHNSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000483720660 899381037 /nfs/dbraw/zinc/38/10/37/899381037.db2.gz GKAYMDVMVAVKID-HFZDXXHNSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000483720660 899381054 /nfs/dbraw/zinc/38/10/54/899381054.db2.gz GKAYMDVMVAVKID-HFZDXXHNSA-N 3 2 418.585 4.307 20 0 HIADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483727267 899387158 /nfs/dbraw/zinc/38/71/58/899387158.db2.gz NAAUWBVBQVQUFF-NBQZKYEYSA-N 2 2 410.580 4.024 20 0 HIADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483727267 899387170 /nfs/dbraw/zinc/38/71/70/899387170.db2.gz NAAUWBVBQVQUFF-NBQZKYEYSA-N 2 2 410.580 4.024 20 0 HIADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000484130479 899751761 /nfs/dbraw/zinc/75/17/61/899751761.db2.gz MSLUFDZYQLPHFY-OALUTQOASA-N 2 2 415.603 4.372 20 0 HIADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000484134274 899755413 /nfs/dbraw/zinc/75/54/13/899755413.db2.gz PPTOUJACSOQXMY-OALUTQOASA-N 2 2 415.603 4.372 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000484154985 899775598 /nfs/dbraw/zinc/77/55/98/899775598.db2.gz DJUJSEYREIHFNR-UWJYYQICSA-N 2 2 414.391 4.376 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2ccccc2Br)CC1 ZINC000484154985 899775606 /nfs/dbraw/zinc/77/56/06/899775606.db2.gz DJUJSEYREIHFNR-UWJYYQICSA-N 2 2 414.391 4.376 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2cncn2)cc1Cl ZINC000484479025 899971603 /nfs/dbraw/zinc/97/16/03/899971603.db2.gz GIWZHCOKPABLMK-IEGUWTFLSA-N 2 2 409.965 4.482 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2cncn2)cc1Cl ZINC000484479025 899971607 /nfs/dbraw/zinc/97/16/07/899971607.db2.gz GIWZHCOKPABLMK-IEGUWTFLSA-N 2 2 409.965 4.482 20 0 HIADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC(F)F)c1 ZINC000484496890 899988602 /nfs/dbraw/zinc/98/86/02/899988602.db2.gz BXNAEUJNGABCNI-UTKZUKDTSA-N 2 2 419.516 4.472 20 0 HIADLP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC(F)F)c1 ZINC000484496890 899988614 /nfs/dbraw/zinc/98/86/14/899988614.db2.gz BXNAEUJNGABCNI-UTKZUKDTSA-N 2 2 419.516 4.472 20 0 HIADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000484646401 900091712 /nfs/dbraw/zinc/09/17/12/900091712.db2.gz XSYOHWZEURKNKE-XLIONFOSSA-N 2 2 407.480 4.331 20 0 HIADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OCC(F)(F)F)c1 ZINC000484646401 900091722 /nfs/dbraw/zinc/09/17/22/900091722.db2.gz XSYOHWZEURKNKE-XLIONFOSSA-N 2 2 407.480 4.331 20 0 HIADLP C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485410816 900708258 /nfs/dbraw/zinc/70/82/58/900708258.db2.gz XEUUQZRGJBXVKG-TUSQITKMSA-N 2 2 405.586 4.240 20 0 HIADLP C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485410816 900708263 /nfs/dbraw/zinc/70/82/63/900708263.db2.gz XEUUQZRGJBXVKG-TUSQITKMSA-N 2 2 405.586 4.240 20 0 HIADLP Cc1cc(C)c(NC(=O)CCC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)c1 ZINC000485671361 900921387 /nfs/dbraw/zinc/92/13/87/900921387.db2.gz OKQJFBVMDGULFL-UHFFFAOYSA-N 2 2 422.617 4.364 20 0 HIADLP Cc1cc(C)c(NC(=O)CCC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)c1 ZINC000485671361 900921394 /nfs/dbraw/zinc/92/13/94/900921394.db2.gz OKQJFBVMDGULFL-UHFFFAOYSA-N 2 2 422.617 4.364 20 0 HIADLP O=C(C[NH+]1CCC(c2ccsc2)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000485991878 901209875 /nfs/dbraw/zinc/20/98/75/901209875.db2.gz RZOJNQAIYQZGSQ-UHFFFAOYSA-N 2 2 415.628 4.115 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3CCC3CCCCC3)CC2)CC1 ZINC000487659431 902279254 /nfs/dbraw/zinc/27/92/54/902279254.db2.gz BTIQLCGTOGAFSE-QHCPKHFHSA-N 2 2 404.643 4.080 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000488196991 902680810 /nfs/dbraw/zinc/68/08/10/902680810.db2.gz GFASIXLMGDGAOE-GOSISDBHSA-N 2 2 400.542 4.276 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000488196991 902680820 /nfs/dbraw/zinc/68/08/20/902680820.db2.gz GFASIXLMGDGAOE-GOSISDBHSA-N 2 2 400.542 4.276 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000489288744 903309715 /nfs/dbraw/zinc/30/97/15/903309715.db2.gz HXJWYCWAJZXLOE-GOSISDBHSA-N 2 2 412.603 4.369 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000489288744 903309727 /nfs/dbraw/zinc/30/97/27/903309727.db2.gz HXJWYCWAJZXLOE-GOSISDBHSA-N 2 2 412.603 4.369 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000489322486 903330357 /nfs/dbraw/zinc/33/03/57/903330357.db2.gz CUUDAXMQCVLUHT-NRFANRHFSA-N 2 2 412.965 4.079 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000489322486 903330372 /nfs/dbraw/zinc/33/03/72/903330372.db2.gz CUUDAXMQCVLUHT-NRFANRHFSA-N 2 2 412.965 4.079 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000489387901 903359622 /nfs/dbraw/zinc/35/96/22/903359622.db2.gz HXNUWHXBQPBNNI-NHCUHLMSSA-N 2 2 408.590 4.194 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000489387901 903359638 /nfs/dbraw/zinc/35/96/38/903359638.db2.gz HXNUWHXBQPBNNI-NHCUHLMSSA-N 2 2 408.590 4.194 20 0 HIADLP CN(C(=O)c1cccn1C1CCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489711141 903554779 /nfs/dbraw/zinc/55/47/79/903554779.db2.gz FKFMNPIFXNQVTK-VXKWHMMOSA-N 2 2 400.611 4.012 20 0 HIADLP CN(C(=O)c1cccn1C1CCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489711141 903554789 /nfs/dbraw/zinc/55/47/89/903554789.db2.gz FKFMNPIFXNQVTK-VXKWHMMOSA-N 2 2 400.611 4.012 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000491221841 904487772 /nfs/dbraw/zinc/48/77/72/904487772.db2.gz AISYHPKYSPCEDP-WMZHIEFXSA-N 2 2 402.542 4.152 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000491221841 904487782 /nfs/dbraw/zinc/48/77/82/904487782.db2.gz AISYHPKYSPCEDP-WMZHIEFXSA-N 2 2 402.542 4.152 20 0 HIADLP CC[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000493106855 905022848 /nfs/dbraw/zinc/02/28/48/905022848.db2.gz WLERIFFJTJZSJQ-SFHVURJKSA-N 2 2 410.459 4.232 20 0 HIADLP COc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccc(F)cc2)cc1 ZINC000493246587 905064433 /nfs/dbraw/zinc/06/44/33/905064433.db2.gz INIXSFRXYJURJF-CLJLJLNGSA-N 2 2 420.528 4.150 20 0 HIADLP COc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccc(F)cc2)cc1 ZINC000493246587 905064454 /nfs/dbraw/zinc/06/44/54/905064454.db2.gz INIXSFRXYJURJF-CLJLJLNGSA-N 2 2 420.528 4.150 20 0 HIADLP COc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000493252797 905069583 /nfs/dbraw/zinc/06/95/83/905069583.db2.gz WPMAYZJDDYDLHN-IZZNHLLZSA-N 2 2 402.538 4.011 20 0 HIADLP COc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000493252797 905069605 /nfs/dbraw/zinc/06/96/05/905069605.db2.gz WPMAYZJDDYDLHN-IZZNHLLZSA-N 2 2 402.538 4.011 20 0 HIADLP COc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000493252795 905069800 /nfs/dbraw/zinc/06/98/00/905069800.db2.gz WPMAYZJDDYDLHN-CLJLJLNGSA-N 2 2 402.538 4.011 20 0 HIADLP COc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000493252795 905069824 /nfs/dbraw/zinc/06/98/24/905069824.db2.gz WPMAYZJDDYDLHN-CLJLJLNGSA-N 2 2 402.538 4.011 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000494138040 905481405 /nfs/dbraw/zinc/48/14/05/905481405.db2.gz WKQORZPJZORDEX-PXNSSMCTSA-N 2 2 423.782 4.075 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000494138040 905481415 /nfs/dbraw/zinc/48/14/15/905481415.db2.gz WKQORZPJZORDEX-PXNSSMCTSA-N 2 2 423.782 4.075 20 0 HIADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494158285 905494519 /nfs/dbraw/zinc/49/45/19/905494519.db2.gz YLSRUXJRIXEYFV-MOPGFXCFSA-N 2 2 407.530 4.042 20 0 HIADLP CC(C)[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494158285 905494528 /nfs/dbraw/zinc/49/45/28/905494528.db2.gz YLSRUXJRIXEYFV-MOPGFXCFSA-N 2 2 407.530 4.042 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494482737 905765975 /nfs/dbraw/zinc/76/59/75/905765975.db2.gz LTJRJRNJJOQBCO-XMSQKQJNSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000494482737 905765982 /nfs/dbraw/zinc/76/59/82/905765982.db2.gz LTJRJRNJJOQBCO-XMSQKQJNSA-N 2 2 406.505 4.408 20 0 HIADLP COc1cc(Br)c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000495184474 906294113 /nfs/dbraw/zinc/29/41/13/906294113.db2.gz PSHCYSVEBKPECL-RDJZCZTQSA-N 2 2 419.363 4.164 20 0 HIADLP COc1cc(Br)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000495184474 906294126 /nfs/dbraw/zinc/29/41/26/906294126.db2.gz PSHCYSVEBKPECL-RDJZCZTQSA-N 2 2 419.363 4.164 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495185278 906295941 /nfs/dbraw/zinc/29/59/41/906295941.db2.gz UQLBHCTZPDVKNG-YADARESESA-N 2 2 402.542 4.074 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000495185278 906295962 /nfs/dbraw/zinc/29/59/62/906295962.db2.gz UQLBHCTZPDVKNG-YADARESESA-N 2 2 402.542 4.074 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000495185278 906295981 /nfs/dbraw/zinc/29/59/81/906295981.db2.gz UQLBHCTZPDVKNG-YADARESESA-N 2 2 402.542 4.074 20 0 HIADLP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000495185278 906295999 /nfs/dbraw/zinc/29/59/99/906295999.db2.gz UQLBHCTZPDVKNG-YADARESESA-N 2 2 402.542 4.074 20 0 HIADLP CCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)Nc1cc(C)on1 ZINC000495460611 906465603 /nfs/dbraw/zinc/46/56/03/906465603.db2.gz KMXMYJDGUZPPEB-LQCXBHPOSA-N 2 2 410.562 4.266 20 0 HIADLP CCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)Nc1cc(C)on1 ZINC000495460611 906465614 /nfs/dbraw/zinc/46/56/14/906465614.db2.gz KMXMYJDGUZPPEB-LQCXBHPOSA-N 2 2 410.562 4.266 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000495789443 906550940 /nfs/dbraw/zinc/55/09/40/906550940.db2.gz OPGQJBYDNVOLSD-UHFFFAOYSA-N 2 2 411.615 4.077 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000495789443 906550955 /nfs/dbraw/zinc/55/09/55/906550955.db2.gz OPGQJBYDNVOLSD-UHFFFAOYSA-N 2 2 411.615 4.077 20 0 HIADLP Cc1nc2sc3c(c2c(NC2CC[NH+](C4CC[NH+](C)CC4)CC2)n1)CC[C@H](C)C3 ZINC000496203881 906628610 /nfs/dbraw/zinc/62/86/10/906628610.db2.gz NBWXCHFWRJENAW-HNNXBMFYSA-N 2 2 413.635 4.095 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000496916463 906780617 /nfs/dbraw/zinc/78/06/17/906780617.db2.gz ZXZWLZCLJSKSJP-UHFFFAOYSA-N 2 2 422.960 4.323 20 0 HIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)c[nH+]1 ZINC000512643109 921271536 /nfs/dbraw/zinc/27/15/36/921271536.db2.gz VRZGCOQPMLOVNB-GSDHBNRESA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2cccc(C[NH2+][C@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)c[nH+]1 ZINC000512643109 921271540 /nfs/dbraw/zinc/27/15/40/921271540.db2.gz VRZGCOQPMLOVNB-GSDHBNRESA-N 3 2 400.570 4.322 20 0 HIADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000512663554 921280122 /nfs/dbraw/zinc/28/01/22/921280122.db2.gz NEWUGUAGELRMAD-IAGOWNOFSA-N 2 2 424.416 4.260 20 0 HIADLP O=C(NCCCCNc1cccc[nH+]1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497707975 907212124 /nfs/dbraw/zinc/21/21/24/907212124.db2.gz DVRABYHQMCAURR-UHFFFAOYSA-N 2 2 409.578 4.149 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000512804342 921314681 /nfs/dbraw/zinc/31/46/81/921314681.db2.gz MSGWQZSBTNIRMH-UHFFFAOYSA-N 2 2 410.512 4.305 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000512804342 921314686 /nfs/dbraw/zinc/31/46/86/921314686.db2.gz MSGWQZSBTNIRMH-UHFFFAOYSA-N 2 2 410.512 4.305 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC000498350425 907851981 /nfs/dbraw/zinc/85/19/81/907851981.db2.gz XHISDJVWXAJZOU-IAGOWNOFSA-N 2 2 416.610 4.400 20 0 HIADLP c1ccc2c(c1)-c1ccccc1C2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000498414940 907889583 /nfs/dbraw/zinc/88/95/83/907889583.db2.gz SXZQHTMGUHYKMF-UHFFFAOYSA-N 2 2 400.522 4.257 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000498426741 907896540 /nfs/dbraw/zinc/89/65/40/907896540.db2.gz YVZHZBLSMGQWQX-UHFFFAOYSA-N 2 2 415.965 4.230 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000498426741 907896542 /nfs/dbraw/zinc/89/65/42/907896542.db2.gz YVZHZBLSMGQWQX-UHFFFAOYSA-N 2 2 415.965 4.230 20 0 HIADLP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccccc1Cl ZINC000499215800 908570992 /nfs/dbraw/zinc/57/09/92/908570992.db2.gz RKXUZYVYCKHNOA-IIZPIQPGSA-N 2 2 409.961 4.231 20 0 HIADLP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccccc1Cl ZINC000499215800 908570996 /nfs/dbraw/zinc/57/09/96/908570996.db2.gz RKXUZYVYCKHNOA-IIZPIQPGSA-N 2 2 409.961 4.231 20 0 HIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000512995553 921462360 /nfs/dbraw/zinc/46/23/60/921462360.db2.gz DWTZYGKXDLAOBN-ALOPSCKCSA-N 2 2 410.027 4.014 20 0 HIADLP CC(C)Sc1cccc(Cl)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000512995553 921462370 /nfs/dbraw/zinc/46/23/70/921462370.db2.gz DWTZYGKXDLAOBN-ALOPSCKCSA-N 2 2 410.027 4.014 20 0 HIADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)CC2)cc1 ZINC000501384617 910514626 /nfs/dbraw/zinc/51/46/26/910514626.db2.gz AGCATDODERNOAG-AHWVRZQESA-N 2 2 406.618 4.295 20 0 HIADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502299628 911257453 /nfs/dbraw/zinc/25/74/53/911257453.db2.gz IZFLPGRARVVPEB-JOCHJYFZSA-N 2 2 403.574 4.461 20 0 HIADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502299628 911257476 /nfs/dbraw/zinc/25/74/76/911257476.db2.gz IZFLPGRARVVPEB-JOCHJYFZSA-N 2 2 403.574 4.461 20 0 HIADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(SC)cc1OC ZINC000502345070 911326235 /nfs/dbraw/zinc/32/62/35/911326235.db2.gz XKFQPHKQABAVOT-INIZCTEOSA-N 2 2 401.576 4.338 20 0 HIADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(SC)cc1OC ZINC000502345070 911326255 /nfs/dbraw/zinc/32/62/55/911326255.db2.gz XKFQPHKQABAVOT-INIZCTEOSA-N 2 2 401.576 4.338 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503049964 912014834 /nfs/dbraw/zinc/01/48/34/912014834.db2.gz CHUCXHLDKBKJCT-UIFIKXQLSA-N 2 2 400.542 4.199 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000503049964 912014850 /nfs/dbraw/zinc/01/48/50/912014850.db2.gz CHUCXHLDKBKJCT-UIFIKXQLSA-N 2 2 400.542 4.199 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503070790 912038123 /nfs/dbraw/zinc/03/81/23/912038123.db2.gz DHCDBCVTCPMJCI-UEVCKROQSA-N 2 2 408.590 4.427 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000503070790 912038140 /nfs/dbraw/zinc/03/81/40/912038140.db2.gz DHCDBCVTCPMJCI-UEVCKROQSA-N 2 2 408.590 4.427 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503073948 912039795 /nfs/dbraw/zinc/03/97/95/912039795.db2.gz JCCCSUGBNIWAIT-MEKIYTOJSA-N 2 2 420.582 4.002 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000503073948 912039807 /nfs/dbraw/zinc/03/98/07/912039807.db2.gz JCCCSUGBNIWAIT-MEKIYTOJSA-N 2 2 420.582 4.002 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475513 915077032 /nfs/dbraw/zinc/07/70/32/915077032.db2.gz XOTAVVQVOGAYKG-IRLDBZIGSA-N 2 2 409.574 4.296 20 0 HIADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475513 915077053 /nfs/dbraw/zinc/07/70/53/915077053.db2.gz XOTAVVQVOGAYKG-IRLDBZIGSA-N 2 2 409.574 4.296 20 0 HIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475513 915077072 /nfs/dbraw/zinc/07/70/72/915077072.db2.gz XOTAVVQVOGAYKG-IRLDBZIGSA-N 2 2 409.574 4.296 20 0 HIADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475513 915077091 /nfs/dbraw/zinc/07/70/91/915077091.db2.gz XOTAVVQVOGAYKG-IRLDBZIGSA-N 2 2 409.574 4.296 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000506524108 915160876 /nfs/dbraw/zinc/16/08/76/915160876.db2.gz NLAYDYUFMJKPPM-UHFFFAOYSA-N 2 2 414.638 4.077 20 0 HIADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000507074853 915854901 /nfs/dbraw/zinc/85/49/01/915854901.db2.gz UJPNAOGFKDGRGP-JOCHJYFZSA-N 2 2 423.605 4.150 20 0 HIADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000507215640 915964747 /nfs/dbraw/zinc/96/47/47/915964747.db2.gz FQQMXIWCDOEXPB-PZJWPPBQSA-N 2 2 423.605 4.238 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)CCC2 ZINC000507967524 916820141 /nfs/dbraw/zinc/82/01/41/916820141.db2.gz POESNWCYCDTOIM-CYBMUJFWSA-N 2 2 400.267 4.223 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000508672746 917438509 /nfs/dbraw/zinc/43/85/09/917438509.db2.gz WCBSZVZRKVTDNY-CYBMUJFWSA-N 2 2 414.294 4.239 20 0 HIADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000508672746 917438519 /nfs/dbraw/zinc/43/85/19/917438519.db2.gz WCBSZVZRKVTDNY-CYBMUJFWSA-N 2 2 414.294 4.239 20 0 HIADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[C@H](c1ccccc1)[NH+](C)C ZINC000508888159 917641517 /nfs/dbraw/zinc/64/15/17/917641517.db2.gz CAQSSTHBQQEUMC-PVERMEFCSA-N 2 2 417.557 4.102 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509658269 918293456 /nfs/dbraw/zinc/29/34/56/918293456.db2.gz NLKAJVJUCOWTIG-UHFFFAOYSA-N 3 2 420.645 4.043 20 0 HIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509658269 918293474 /nfs/dbraw/zinc/29/34/74/918293474.db2.gz NLKAJVJUCOWTIG-UHFFFAOYSA-N 3 2 420.645 4.043 20 0 HIADLP Brc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000510655074 919095775 /nfs/dbraw/zinc/09/57/75/919095775.db2.gz FWMBCZDOPMMDTA-NRFANRHFSA-N 2 2 401.348 4.058 20 0 HIADLP CC(C)N1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000511925354 920672501 /nfs/dbraw/zinc/67/25/01/920672501.db2.gz YBGXKVDRYLDDNY-QUCCMNQESA-N 2 2 410.990 4.311 20 0 HIADLP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cn1cc[nH+]c1 ZINC000512036334 920809320 /nfs/dbraw/zinc/80/93/20/920809320.db2.gz HFPXVOYYABCDQC-OLZOCXBDSA-N 2 2 402.848 4.198 20 0 HIADLP Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)c(C(F)(F)F)c2)n1 ZINC000512106120 920863806 /nfs/dbraw/zinc/86/38/06/920863806.db2.gz NROLACBURBDFQJ-UHFFFAOYSA-N 2 2 423.508 4.316 20 0 HIADLP CCOc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc(Cl)c1OC ZINC000512350039 921095828 /nfs/dbraw/zinc/09/58/28/921095828.db2.gz FTYFUTAYCMRXIG-UHFFFAOYSA-N 2 2 417.981 4.281 20 0 HIADLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc(Cl)c1OC ZINC000512350039 921095843 /nfs/dbraw/zinc/09/58/43/921095843.db2.gz FTYFUTAYCMRXIG-UHFFFAOYSA-N 2 2 417.981 4.281 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)C2 ZINC000513910739 922234483 /nfs/dbraw/zinc/23/44/83/922234483.db2.gz FQGURPQOUWQIOP-KNQAVFIVSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)C2 ZINC000513910739 922234498 /nfs/dbraw/zinc/23/44/98/922234498.db2.gz FQGURPQOUWQIOP-KNQAVFIVSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC000513910739 922234509 /nfs/dbraw/zinc/23/45/09/922234509.db2.gz FQGURPQOUWQIOP-KNQAVFIVSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC000513910739 922234526 /nfs/dbraw/zinc/23/45/26/922234526.db2.gz FQGURPQOUWQIOP-KNQAVFIVSA-N 2 2 408.590 4.055 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccsc1 ZINC000514458364 922635475 /nfs/dbraw/zinc/63/54/75/922635475.db2.gz NQUNHZPMYNVVAS-WOJBJXKFSA-N 2 2 421.010 4.141 20 0 HIADLP CC(C)c1scnc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000515249866 923017260 /nfs/dbraw/zinc/01/72/60/923017260.db2.gz KWIMIZJWRHTIDF-MSOLQXFVSA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)c1scnc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000515249866 923017270 /nfs/dbraw/zinc/01/72/70/923017270.db2.gz KWIMIZJWRHTIDF-MSOLQXFVSA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)[C@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[NH+]1CCC(C)CC1 ZINC000515382634 923073998 /nfs/dbraw/zinc/07/39/98/923073998.db2.gz JKJKUPCDAHMYKW-IBGZPJMESA-N 2 2 407.628 4.007 20 0 HIADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000515888282 923414406 /nfs/dbraw/zinc/41/44/06/923414406.db2.gz PTQUBNCCDANADV-RPWUZVMVSA-N 2 2 417.553 4.281 20 0 HIADLP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000515888282 923414423 /nfs/dbraw/zinc/41/44/23/923414423.db2.gz PTQUBNCCDANADV-RPWUZVMVSA-N 2 2 417.553 4.281 20 0 HIADLP CCOc1cc2[nH+]ccc(NCc3cccc(Cn4cc[nH+]c4)c3)c2cc1OCC ZINC000517927257 926892805 /nfs/dbraw/zinc/89/28/05/926892805.db2.gz PIOCEQPIORYHBC-UHFFFAOYSA-N 2 2 402.498 4.311 20 0 HIADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000518272790 927130963 /nfs/dbraw/zinc/13/09/63/927130963.db2.gz PSYHTYGINRRAOE-FGZHOGPDSA-N 2 2 418.585 4.187 20 0 HIADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000518891076 927603068 /nfs/dbraw/zinc/60/30/68/927603068.db2.gz IVECCMAVJSYDHF-NRFANRHFSA-N 2 2 418.006 4.439 20 0 HIADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000519206022 927827514 /nfs/dbraw/zinc/82/75/14/927827514.db2.gz JNCKESCGVRSEJB-YLJYHZDGSA-N 2 2 424.992 4.036 20 0 HIADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000519206022 927827518 /nfs/dbraw/zinc/82/75/18/927827518.db2.gz JNCKESCGVRSEJB-YLJYHZDGSA-N 2 2 424.992 4.036 20 0 HIADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000520567086 928644958 /nfs/dbraw/zinc/64/49/58/928644958.db2.gz JXCVYXWEMQIGQZ-XMMPIXPASA-N 2 2 402.542 4.089 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(Br)cc1F ZINC000527349107 930643098 /nfs/dbraw/zinc/64/30/98/930643098.db2.gz CXFBHGRWCDJDFI-MRXNPFEDSA-N 2 2 420.370 4.186 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(Br)cc1F ZINC000527349107 930643111 /nfs/dbraw/zinc/64/31/11/930643111.db2.gz CXFBHGRWCDJDFI-MRXNPFEDSA-N 2 2 420.370 4.186 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000531084387 930914319 /nfs/dbraw/zinc/91/43/19/930914319.db2.gz IRRODCRGAUKMLP-SANMLTNESA-N 2 2 414.553 4.060 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000531084387 930914330 /nfs/dbraw/zinc/91/43/30/930914330.db2.gz IRRODCRGAUKMLP-SANMLTNESA-N 2 2 414.553 4.060 20 0 HIADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000531686557 931151604 /nfs/dbraw/zinc/15/16/04/931151604.db2.gz ONGWWWCMORFQOW-SFHVURJKSA-N 2 2 410.949 4.112 20 0 HIADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000531691442 931155454 /nfs/dbraw/zinc/15/54/54/931155454.db2.gz BCIUCKWRYXAJMM-HNNXBMFYSA-N 2 2 406.452 4.076 20 0 HIADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000531710732 931169859 /nfs/dbraw/zinc/16/98/59/931169859.db2.gz VNIOGUXPMOJEOW-WIYYLYMNSA-N 2 2 403.517 4.236 20 0 HIADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000531724001 931174109 /nfs/dbraw/zinc/17/41/09/931174109.db2.gz JEBJCLQIOPBSSW-INIZCTEOSA-N 2 2 419.491 4.111 20 0 HIADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(F)cc1Br ZINC000531965885 931268677 /nfs/dbraw/zinc/26/86/77/931268677.db2.gz RCDCTZZCKAZMST-IIBYNOLFSA-N 2 2 420.370 4.228 20 0 HIADLP Cc1ccc(NC(=O)C2(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)CCCC2)cc1C ZINC000531994947 931279035 /nfs/dbraw/zinc/27/90/35/931279035.db2.gz PESXDKRBSLGYEP-UHFFFAOYSA-N 2 2 420.601 4.452 20 0 HIADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000532249317 931372070 /nfs/dbraw/zinc/37/20/70/931372070.db2.gz LZKACVVUSDLAGY-YVEFUNNKSA-N 2 2 423.932 4.103 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1sccc1Br ZINC000532449007 931439637 /nfs/dbraw/zinc/43/96/37/931439637.db2.gz ODSWVYHMSBJMIM-HNNXBMFYSA-N 2 2 408.409 4.109 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1sccc1Br ZINC000532449007 931439638 /nfs/dbraw/zinc/43/96/38/931439638.db2.gz ODSWVYHMSBJMIM-HNNXBMFYSA-N 2 2 408.409 4.109 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC000532461228 931445526 /nfs/dbraw/zinc/44/55/26/931445526.db2.gz BRAGNURPVUJDAB-OIBXWCBGSA-N 2 2 408.030 4.204 20 0 HIADLP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC000532461228 931445531 /nfs/dbraw/zinc/44/55/31/931445531.db2.gz BRAGNURPVUJDAB-OIBXWCBGSA-N 2 2 408.030 4.204 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H](C)C1 ZINC000532461221 931445656 /nfs/dbraw/zinc/44/56/56/931445656.db2.gz BRAGNURPVUJDAB-AJSBUHFISA-N 2 2 408.030 4.204 20 0 HIADLP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H](C)C1 ZINC000532461221 931445660 /nfs/dbraw/zinc/44/56/60/931445660.db2.gz BRAGNURPVUJDAB-AJSBUHFISA-N 2 2 408.030 4.204 20 0 HIADLP CCOc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc(Cl)c1OC ZINC000532675833 931580053 /nfs/dbraw/zinc/58/00/53/931580053.db2.gz MSPRQUNQMBKBGG-UHFFFAOYSA-N 2 2 418.969 4.285 20 0 HIADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000532986600 931727033 /nfs/dbraw/zinc/72/70/33/931727033.db2.gz HAGNRHQHGJDMKD-HXUWFJFHSA-N 2 2 405.011 4.064 20 0 HIADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000532986600 931727037 /nfs/dbraw/zinc/72/70/37/931727037.db2.gz HAGNRHQHGJDMKD-HXUWFJFHSA-N 2 2 405.011 4.064 20 0 HIADLP C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000533025463 931744395 /nfs/dbraw/zinc/74/43/95/931744395.db2.gz NFJCMKGRZIBRBN-SFHVURJKSA-N 2 2 421.570 4.235 20 0 HIADLP Cc1ccc(OCc2nc(CNc3ccc(N4CC[C@H]([NH+](C)C)C4)c[nH+]3)cs2)cc1 ZINC000533315562 931837733 /nfs/dbraw/zinc/83/77/33/931837733.db2.gz HMXGTXWJIFVHPE-FQEVSTJZSA-N 2 2 423.586 4.178 20 0 HIADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CC1 ZINC000533408899 931860932 /nfs/dbraw/zinc/86/09/32/931860932.db2.gz LAXBLZOUTWNIKE-UHFFFAOYSA-N 2 2 400.548 4.209 20 0 HIADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)CC1 ZINC000533408899 931860933 /nfs/dbraw/zinc/86/09/33/931860933.db2.gz LAXBLZOUTWNIKE-UHFFFAOYSA-N 2 2 400.548 4.209 20 0 HIADLP O=C(N[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)c1cc2ccccc2o1 ZINC000533527348 931894858 /nfs/dbraw/zinc/89/48/58/931894858.db2.gz UFQIWQHVLFJBQT-FQEVSTJZSA-N 2 2 400.482 4.013 20 0 HIADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)c1cc2ccccc2o1 ZINC000533527348 931894862 /nfs/dbraw/zinc/89/48/62/931894862.db2.gz UFQIWQHVLFJBQT-FQEVSTJZSA-N 2 2 400.482 4.013 20 0 HIADLP CN(C(=O)Nc1nc2ccccc2s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533640796 931940508 /nfs/dbraw/zinc/94/05/08/931940508.db2.gz ZGYYWBBKCGECQS-OALUTQOASA-N 2 2 415.607 4.097 20 0 HIADLP CN(C(=O)Nc1nc2ccccc2s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533640796 931940512 /nfs/dbraw/zinc/94/05/12/931940512.db2.gz ZGYYWBBKCGECQS-OALUTQOASA-N 2 2 415.607 4.097 20 0 HIADLP CC(C)COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533646495 931942266 /nfs/dbraw/zinc/94/22/66/931942266.db2.gz AUEKNRIVTHDDDT-BJKOFHAPSA-N 2 2 415.622 4.131 20 0 HIADLP CC(C)COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000533646495 931942280 /nfs/dbraw/zinc/94/22/80/931942280.db2.gz AUEKNRIVTHDDDT-BJKOFHAPSA-N 2 2 415.622 4.131 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)[NH+](C)C)cc1 ZINC000533882377 932078834 /nfs/dbraw/zinc/07/88/34/932078834.db2.gz ZUWVWFWKOXVIOM-HSZRJFAPSA-N 2 2 415.541 4.335 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534125762 932292337 /nfs/dbraw/zinc/29/23/37/932292337.db2.gz XCDUTMBOAMYVDT-FPOVZHCZSA-N 2 2 411.933 4.323 20 0 HIADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534125762 932292344 /nfs/dbraw/zinc/29/23/44/932292344.db2.gz XCDUTMBOAMYVDT-FPOVZHCZSA-N 2 2 411.933 4.323 20 0 HIADLP Cc1c(Cl)cccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534213682 932336145 /nfs/dbraw/zinc/33/61/45/932336145.db2.gz WJNCLMIUBZSWEB-SFTDATJTSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1c(Cl)cccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534213682 932336148 /nfs/dbraw/zinc/33/61/48/932336148.db2.gz WJNCLMIUBZSWEB-SFTDATJTSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1ccc(CCCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534358170 932392164 /nfs/dbraw/zinc/39/21/64/932392164.db2.gz HTKDGVXWTMBRIH-FCHUYYIVSA-N 2 2 405.652 4.175 20 0 HIADLP Cc1ccc(CCCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534358170 932392170 /nfs/dbraw/zinc/39/21/70/932392170.db2.gz HTKDGVXWTMBRIH-FCHUYYIVSA-N 2 2 405.652 4.175 20 0 HIADLP Cc1ccc2c(CCC(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC000534357968 932392447 /nfs/dbraw/zinc/39/24/47/932392447.db2.gz DSKPWUFUFHAYDE-DQEYMECFSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1ccc2c(CCC(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c2c1 ZINC000534357968 932392449 /nfs/dbraw/zinc/39/24/49/932392449.db2.gz DSKPWUFUFHAYDE-DQEYMECFSA-N 2 2 424.633 4.205 20 0 HIADLP CN(C(=O)N[C@H](c1ccccc1)C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375884 932404816 /nfs/dbraw/zinc/40/48/16/932404816.db2.gz OGEPNNNRJKBSTF-TZRRMPRUSA-N 2 2 412.622 4.116 20 0 HIADLP CN(C(=O)N[C@H](c1ccccc1)C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375884 932404817 /nfs/dbraw/zinc/40/48/17/932404817.db2.gz OGEPNNNRJKBSTF-TZRRMPRUSA-N 2 2 412.622 4.116 20 0 HIADLP Cc1cc(C)cc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534385150 932411337 /nfs/dbraw/zinc/41/13/37/932411337.db2.gz NVVZOACIQXPIBW-ZTCOLXNVSA-N 2 2 414.638 4.343 20 0 HIADLP Cc1cc(C)cc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534385150 932411341 /nfs/dbraw/zinc/41/13/41/932411341.db2.gz NVVZOACIQXPIBW-ZTCOLXNVSA-N 2 2 414.638 4.343 20 0 HIADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000534599749 932586380 /nfs/dbraw/zinc/58/63/80/932586380.db2.gz PXTUSHZMFMMNPV-LJQANCHMSA-N 2 2 407.562 4.091 20 0 HIADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000534599749 932586390 /nfs/dbraw/zinc/58/63/90/932586390.db2.gz PXTUSHZMFMMNPV-LJQANCHMSA-N 2 2 407.562 4.091 20 0 HIADLP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccc(F)cc1Cl ZINC000534964940 932863911 /nfs/dbraw/zinc/86/39/11/932863911.db2.gz GSNSJSQUFSOMRF-UHFFFAOYSA-N 2 2 415.940 4.406 20 0 HIADLP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccc(F)cc1Cl ZINC000534964940 932863918 /nfs/dbraw/zinc/86/39/18/932863918.db2.gz GSNSJSQUFSOMRF-UHFFFAOYSA-N 2 2 415.940 4.406 20 0 HIADLP Cc1cn2cc(NC(=O)NC[C@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)ccc2[nH+]1 ZINC000534967038 932865540 /nfs/dbraw/zinc/86/55/40/932865540.db2.gz RGULTPZUSPMPGO-FOIQADDNSA-N 2 2 415.900 4.250 20 0 HIADLP Cc1cn2cc(NC(=O)NC[C@H]3CC[N@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)ccc2[nH+]1 ZINC000534967038 932865543 /nfs/dbraw/zinc/86/55/43/932865543.db2.gz RGULTPZUSPMPGO-FOIQADDNSA-N 2 2 415.900 4.250 20 0 HIADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534983794 932875513 /nfs/dbraw/zinc/87/55/13/932875513.db2.gz BDZGOIIRBYQWJA-UHFFFAOYSA-N 2 2 400.526 4.001 20 0 HIADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534983794 932875518 /nfs/dbraw/zinc/87/55/18/932875518.db2.gz BDZGOIIRBYQWJA-UHFFFAOYSA-N 2 2 400.526 4.001 20 0 HIADLP Cc1cc(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c[nH+]1 ZINC000535060512 932895488 /nfs/dbraw/zinc/89/54/88/932895488.db2.gz AFIITNPUGKFFLW-UHFFFAOYSA-N 2 2 400.526 4.059 20 0 HIADLP C[C@@H]1CCc2sc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2C1 ZINC000535093614 932906625 /nfs/dbraw/zinc/90/66/25/932906625.db2.gz CWCMXHBORSJLDM-QMMLZNLJSA-N 2 2 417.663 4.282 20 0 HIADLP C[C@@H]1CCc2sc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2C1 ZINC000535093614 932906638 /nfs/dbraw/zinc/90/66/38/932906638.db2.gz CWCMXHBORSJLDM-QMMLZNLJSA-N 2 2 417.663 4.282 20 0 HIADLP CN(C(=O)CCc1cc2ccccc2o1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535096136 932909995 /nfs/dbraw/zinc/90/99/95/932909995.db2.gz PEULYKHARDWXHR-XZOQPEGZSA-N 2 2 411.590 4.161 20 0 HIADLP CN(C(=O)CCc1cc2ccccc2o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535096136 932910013 /nfs/dbraw/zinc/91/00/13/932910013.db2.gz PEULYKHARDWXHR-XZOQPEGZSA-N 2 2 411.590 4.161 20 0 HIADLP Cc1cc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000535109079 932925823 /nfs/dbraw/zinc/92/58/23/932925823.db2.gz CDFNBEWKDXELJG-MTNREXPMSA-N 2 2 420.667 4.405 20 0 HIADLP Cc1cc([C@H](C)NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000535109079 932925837 /nfs/dbraw/zinc/92/58/37/932925837.db2.gz CDFNBEWKDXELJG-MTNREXPMSA-N 2 2 420.667 4.405 20 0 HIADLP Cc1cccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535112668 932928850 /nfs/dbraw/zinc/92/88/50/932928850.db2.gz RUKQJNUVFCFCJZ-ZTCOLXNVSA-N 2 2 414.638 4.343 20 0 HIADLP Cc1cccc([C@H](C)NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000535112668 932928863 /nfs/dbraw/zinc/92/88/63/932928863.db2.gz RUKQJNUVFCFCJZ-ZTCOLXNVSA-N 2 2 414.638 4.343 20 0 HIADLP CC(=O)N(c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1)c1ccc(C)cc1C ZINC000535221301 933025684 /nfs/dbraw/zinc/02/56/84/933025684.db2.gz RRXYCXHCEKRWCJ-UHFFFAOYSA-N 2 2 400.592 4.218 20 0 HIADLP CC(=O)N(c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1)c1cccc(Cl)c1 ZINC000535228190 933028483 /nfs/dbraw/zinc/02/84/83/933028483.db2.gz YWRKSKARNVCWIW-UHFFFAOYSA-N 2 2 406.983 4.255 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)[C@@H](C)C1 ZINC000535509230 933202938 /nfs/dbraw/zinc/20/29/38/933202938.db2.gz XAKLFDDYJFYXNH-ZOCIIQOWSA-N 2 2 413.375 4.302 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)[C@@H](C)C1 ZINC000535509230 933202956 /nfs/dbraw/zinc/20/29/56/933202956.db2.gz XAKLFDDYJFYXNH-ZOCIIQOWSA-N 2 2 413.375 4.302 20 0 HIADLP CN(C(=O)c1cccc(-c2ccoc2)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535634982 933277412 /nfs/dbraw/zinc/27/74/12/933277412.db2.gz FUJPLNXPDMORPG-DNQXCXABSA-N 2 2 409.574 4.356 20 0 HIADLP CN(C(=O)c1cccc(-c2ccoc2)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535634982 933277420 /nfs/dbraw/zinc/27/74/20/933277420.db2.gz FUJPLNXPDMORPG-DNQXCXABSA-N 2 2 409.574 4.356 20 0 HIADLP CC(C)Oc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535645137 933285952 /nfs/dbraw/zinc/28/59/52/933285952.db2.gz WFRSQQRKBZTMCB-XZOQPEGZSA-N 2 2 416.610 4.275 20 0 HIADLP CC(C)Oc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535645137 933285979 /nfs/dbraw/zinc/28/59/79/933285979.db2.gz WFRSQQRKBZTMCB-XZOQPEGZSA-N 2 2 416.610 4.275 20 0 HIADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3csc(COc4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000535825463 933418123 /nfs/dbraw/zinc/41/81/23/933418123.db2.gz WRRKPVSXYFKQEQ-OALUTQOASA-N 2 2 415.603 4.043 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC000535851530 933434079 /nfs/dbraw/zinc/43/40/79/933434079.db2.gz FEBDJGDGSUCPCM-WDJPJFJCSA-N 2 2 417.613 4.190 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC000535851530 933434083 /nfs/dbraw/zinc/43/40/83/933434083.db2.gz FEBDJGDGSUCPCM-WDJPJFJCSA-N 2 2 417.613 4.190 20 0 HIADLP COc1ccccc1N(C(C)=O)c1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1 ZINC000535981620 933545170 /nfs/dbraw/zinc/54/51/70/933545170.db2.gz JESYLUUWXHMQQH-UHFFFAOYSA-N 2 2 416.591 4.000 20 0 HIADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(Br)ccc1F ZINC000537455654 933780956 /nfs/dbraw/zinc/78/09/56/933780956.db2.gz JIYUYMGUNAVMDX-BBRMVZONSA-N 2 2 407.331 4.297 20 0 HIADLP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2cccnc2)no1 ZINC000563286888 945168516 /nfs/dbraw/zinc/16/85/16/945168516.db2.gz YNXZPFSAZDWCKY-QIJUGHKUSA-N 2 2 405.546 4.329 20 0 HIADLP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2cccnc2)no1 ZINC000563286888 945168530 /nfs/dbraw/zinc/16/85/30/945168530.db2.gz YNXZPFSAZDWCKY-QIJUGHKUSA-N 2 2 405.546 4.329 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccnc(OC3CCCC3)c2)CC1 ZINC000537747840 938368561 /nfs/dbraw/zinc/36/85/61/938368561.db2.gz FGYFRNNOWZJLLU-UHFFFAOYSA-N 2 2 414.981 4.098 20 0 HIADLP CC[N@H+](CCC1CC[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1)CC1CC1 ZINC000537845269 938388648 /nfs/dbraw/zinc/38/86/48/938388648.db2.gz CMEUQRVULWPGIH-UHFFFAOYSA-N 2 2 414.619 4.220 20 0 HIADLP CC[N@@H+](CCC1CC[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1)CC1CC1 ZINC000537845269 938388652 /nfs/dbraw/zinc/38/86/52/938388652.db2.gz CMEUQRVULWPGIH-UHFFFAOYSA-N 2 2 414.619 4.220 20 0 HIADLP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1)CC1CC1 ZINC000537846663 938389166 /nfs/dbraw/zinc/38/91/66/938389166.db2.gz LBWOOVPOJWYHLB-SFHVURJKSA-N 2 2 401.595 4.239 20 0 HIADLP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1)CC1CC1 ZINC000537846663 938389168 /nfs/dbraw/zinc/38/91/68/938389168.db2.gz LBWOOVPOJWYHLB-SFHVURJKSA-N 2 2 401.595 4.239 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000537950732 938429477 /nfs/dbraw/zinc/42/94/77/938429477.db2.gz KBVMIKNMUMOLIV-ZWKOTPCHSA-N 2 2 407.562 4.242 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000538000627 938457602 /nfs/dbraw/zinc/45/76/02/938457602.db2.gz OZJXAPJQHTYXPU-IBGZPJMESA-N 2 2 407.537 4.004 20 0 HIADLP CN(C(=O)Nc1cc(F)cc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538353290 938601507 /nfs/dbraw/zinc/60/15/07/938601507.db2.gz AEYDEILQGRFWDA-PMACEKPBSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cc(F)cc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538353290 938601510 /nfs/dbraw/zinc/60/15/10/938601510.db2.gz AEYDEILQGRFWDA-PMACEKPBSA-N 2 2 410.965 4.280 20 0 HIADLP COCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000538732936 938695754 /nfs/dbraw/zinc/69/57/54/938695754.db2.gz DJCZLFQNUBXXTF-NZQKXSOJSA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000538732936 938695759 /nfs/dbraw/zinc/69/57/59/938695759.db2.gz DJCZLFQNUBXXTF-NZQKXSOJSA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000538732936 938695761 /nfs/dbraw/zinc/69/57/61/938695761.db2.gz DJCZLFQNUBXXTF-NZQKXSOJSA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000538732936 938695764 /nfs/dbraw/zinc/69/57/64/938695764.db2.gz DJCZLFQNUBXXTF-NZQKXSOJSA-N 2 2 412.574 4.205 20 0 HIADLP c1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799530 938715583 /nfs/dbraw/zinc/71/55/83/938715583.db2.gz JTWVTYQPKJPYGD-SQJMNOBHSA-N 2 2 413.569 4.383 20 0 HIADLP c1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799530 938715585 /nfs/dbraw/zinc/71/55/85/938715585.db2.gz JTWVTYQPKJPYGD-SQJMNOBHSA-N 2 2 413.569 4.383 20 0 HIADLP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799530 938715588 /nfs/dbraw/zinc/71/55/88/938715588.db2.gz JTWVTYQPKJPYGD-SQJMNOBHSA-N 2 2 413.569 4.383 20 0 HIADLP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000538799530 938715591 /nfs/dbraw/zinc/71/55/91/938715591.db2.gz JTWVTYQPKJPYGD-SQJMNOBHSA-N 2 2 413.569 4.383 20 0 HIADLP COc1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccccc2OC)cc1 ZINC000539043956 938780466 /nfs/dbraw/zinc/78/04/66/938780466.db2.gz ZJRGZRVSKQEGHG-RUZDIDTESA-N 2 2 403.526 4.447 20 0 HIADLP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000539055124 938785930 /nfs/dbraw/zinc/78/59/30/938785930.db2.gz PYIXFAJJTKMJTL-OAQYLSRUSA-N 2 2 410.455 4.175 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539077377 938796102 /nfs/dbraw/zinc/79/61/02/938796102.db2.gz LRANIAQCCPBLDU-JPYJTQIMSA-N 2 2 410.949 4.250 20 0 HIADLP CCN1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539199100 938818431 /nfs/dbraw/zinc/81/84/31/938818431.db2.gz YFWABLDAYSUZND-IFMALSPDSA-N 2 2 402.945 4.268 20 0 HIADLP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCC[N@@H+]1CCc3ccccc3C1)c1ccccc1O2 ZINC000539368474 938849853 /nfs/dbraw/zinc/84/98/53/938849853.db2.gz ADCWIOYMZHGAFN-XMMPIXPASA-N 3 2 405.586 4.013 20 0 HIADLP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCC[N@H+]1CCc3ccccc3C1)c1ccccc1O2 ZINC000539368474 938849855 /nfs/dbraw/zinc/84/98/55/938849855.db2.gz ADCWIOYMZHGAFN-XMMPIXPASA-N 3 2 405.586 4.013 20 0 HIADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000539431408 938859603 /nfs/dbraw/zinc/85/96/03/938859603.db2.gz HDGOWEUHCWLZIV-UHFFFAOYSA-N 2 2 403.574 4.383 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000539446586 938861884 /nfs/dbraw/zinc/86/18/84/938861884.db2.gz IKSRWHLMQHCSLS-HNNXBMFYSA-N 2 2 402.340 4.133 20 0 HIADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(Br)c1 ZINC000539660016 938895813 /nfs/dbraw/zinc/89/58/13/938895813.db2.gz RPLQIDXVWDGEBF-ZBFHGGJFSA-N 2 2 419.367 4.166 20 0 HIADLP CC[N@H+](CCC1CC[NH+](Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1)CC1CC1 ZINC000540048483 939049761 /nfs/dbraw/zinc/04/97/61/939049761.db2.gz WPURWAAKOROGIP-UHFFFAOYSA-N 2 2 402.608 4.348 20 0 HIADLP CC[N@@H+](CCC1CC[NH+](Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1)CC1CC1 ZINC000540048483 939049767 /nfs/dbraw/zinc/04/97/67/939049767.db2.gz WPURWAAKOROGIP-UHFFFAOYSA-N 2 2 402.608 4.348 20 0 HIADLP c1csc([C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CCCC2)c1 ZINC000540086978 939064743 /nfs/dbraw/zinc/06/47/43/939064743.db2.gz SKWGMMPOLIFNNC-HSZRJFAPSA-N 2 2 400.588 4.480 20 0 HIADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C[C@H](C)O1 ZINC000540244820 939163959 /nfs/dbraw/zinc/16/39/59/939163959.db2.gz GQFBYBODOVECRQ-HOTGVXAUSA-N 2 2 401.378 4.084 20 0 HIADLP CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)oc21 ZINC000540597389 939315403 /nfs/dbraw/zinc/31/54/03/939315403.db2.gz OINBXVCYWRQCFJ-SFHVURJKSA-N 2 2 421.541 4.070 20 0 HIADLP Brc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc2c1OCO2 ZINC000541202773 939485374 /nfs/dbraw/zinc/48/53/74/939485374.db2.gz LKVAZDWWDKWQEV-UHFFFAOYSA-N 2 2 406.324 4.067 20 0 HIADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541407327 939507553 /nfs/dbraw/zinc/50/75/53/939507553.db2.gz PFGFFKQYJQJRGE-PZJWPPBQSA-N 2 2 410.562 4.040 20 0 HIADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000541454467 939520755 /nfs/dbraw/zinc/52/07/55/939520755.db2.gz NBBOZEODVXITAT-PMVMPFDFSA-N 2 2 406.574 4.055 20 0 HIADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000541454467 939520756 /nfs/dbraw/zinc/52/07/56/939520756.db2.gz NBBOZEODVXITAT-PMVMPFDFSA-N 2 2 406.574 4.055 20 0 HIADLP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ccccc1 ZINC000541457457 939522184 /nfs/dbraw/zinc/52/21/84/939522184.db2.gz BCDICJBUJFSTEN-NRFANRHFSA-N 2 2 420.384 4.377 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3ccccn3)cc2)CC1 ZINC000541545716 939550295 /nfs/dbraw/zinc/55/02/95/939550295.db2.gz JSFBPVKSDWMJAY-AREMUKBSSA-N 2 2 418.560 4.237 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)c2)cc[nH+]1 ZINC000541693713 939606963 /nfs/dbraw/zinc/60/69/63/939606963.db2.gz PZWMBRSOVXPLJJ-UHFFFAOYSA-N 2 2 417.557 4.167 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)c2)cc[nH+]1 ZINC000541693713 939606965 /nfs/dbraw/zinc/60/69/65/939606965.db2.gz PZWMBRSOVXPLJJ-UHFFFAOYSA-N 2 2 417.557 4.167 20 0 HIADLP CN(C(=O)c1ccccc1C(F)(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178491 939746271 /nfs/dbraw/zinc/74/62/71/939746271.db2.gz DKWITQSPUPFYSM-PMACEKPBSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1ccccc1C(F)(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178491 939746273 /nfs/dbraw/zinc/74/62/73/939746273.db2.gz DKWITQSPUPFYSM-PMACEKPBSA-N 2 2 411.512 4.115 20 0 HIADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000542471413 939828778 /nfs/dbraw/zinc/82/87/78/939828778.db2.gz BKAIBHYERSZBOU-ODGPQVTHSA-N 2 2 413.631 4.103 20 0 HIADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000542471413 939828781 /nfs/dbraw/zinc/82/87/81/939828781.db2.gz BKAIBHYERSZBOU-ODGPQVTHSA-N 2 2 413.631 4.103 20 0 HIADLP C[C@@H](OC[C@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)cc1 ZINC000543060084 939914877 /nfs/dbraw/zinc/91/48/77/939914877.db2.gz UTADVHHPBQHYJG-XMSQKQJNSA-N 2 2 405.970 4.167 20 0 HIADLP C[C@H](Cc1ccccc1Cl)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543108250 939948248 /nfs/dbraw/zinc/94/82/48/939948248.db2.gz QPSDWUIBXDDDBH-LEOXJPRUSA-N 2 2 420.041 4.314 20 0 HIADLP C[C@H](Cc1ccccc1Cl)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543108250 939948260 /nfs/dbraw/zinc/94/82/60/939948260.db2.gz QPSDWUIBXDDDBH-LEOXJPRUSA-N 2 2 420.041 4.314 20 0 HIADLP COc1ccc([C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c2ccccc2OC)cc1 ZINC000543241969 940005811 /nfs/dbraw/zinc/00/58/11/940005811.db2.gz SSYMHQXGDTVALH-RUZDIDTESA-N 2 2 414.509 4.472 20 0 HIADLP Cc1cc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2cccnc2)ccc1F ZINC000543408459 940055876 /nfs/dbraw/zinc/05/58/76/940055876.db2.gz LVZXOPGABFICCE-RUZDIDTESA-N 2 2 405.517 4.241 20 0 HIADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000543429953 940061705 /nfs/dbraw/zinc/06/17/05/940061705.db2.gz RFXKQGLPZPIMQL-ZCYQVOJMSA-N 2 2 405.517 4.057 20 0 HIADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000543429953 940061707 /nfs/dbraw/zinc/06/17/07/940061707.db2.gz RFXKQGLPZPIMQL-ZCYQVOJMSA-N 2 2 405.517 4.057 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952951 940267235 /nfs/dbraw/zinc/26/72/35/940267235.db2.gz OYSYDBJMEDBMJO-GJULWVSJSA-N 2 2 423.523 4.010 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952951 940267245 /nfs/dbraw/zinc/26/72/45/940267245.db2.gz OYSYDBJMEDBMJO-GJULWVSJSA-N 2 2 423.523 4.010 20 0 HIADLP CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952951 940267256 /nfs/dbraw/zinc/26/72/56/940267256.db2.gz OYSYDBJMEDBMJO-GJULWVSJSA-N 2 2 423.523 4.010 20 0 HIADLP CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543952951 940267261 /nfs/dbraw/zinc/26/72/61/940267261.db2.gz OYSYDBJMEDBMJO-GJULWVSJSA-N 2 2 423.523 4.010 20 0 HIADLP CN(C(=O)c1cc2sccc2s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544036555 940306437 /nfs/dbraw/zinc/30/64/37/940306437.db2.gz YDGVYVMYHGQOQS-IRXDYDNUSA-N 2 2 405.633 4.372 20 0 HIADLP CN(C(=O)c1cc2sccc2s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544036555 940306444 /nfs/dbraw/zinc/30/64/44/940306444.db2.gz YDGVYVMYHGQOQS-IRXDYDNUSA-N 2 2 405.633 4.372 20 0 HIADLP CN(C(=O)c1cc2sccc2s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544036556 940306543 /nfs/dbraw/zinc/30/65/43/940306543.db2.gz YDGVYVMYHGQOQS-SJORKVTESA-N 2 2 405.633 4.372 20 0 HIADLP CN(C(=O)c1cc2sccc2s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544036556 940306550 /nfs/dbraw/zinc/30/65/50/940306550.db2.gz YDGVYVMYHGQOQS-SJORKVTESA-N 2 2 405.633 4.372 20 0 HIADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544204801 940353127 /nfs/dbraw/zinc/35/31/27/940353127.db2.gz ARCUXXBXKNIBJH-UNMCSNQZSA-N 2 2 424.589 4.430 20 0 HIADLP CN(C)c1cc[nH+]cc1CNC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000544707256 940505092 /nfs/dbraw/zinc/50/50/92/940505092.db2.gz HQVLSDZMMTTXFF-LAUBAEHRSA-N 2 2 406.496 4.339 20 0 HIADLP CN(C)c1cc[nH+]cc1CNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000544707256 940505095 /nfs/dbraw/zinc/50/50/95/940505095.db2.gz HQVLSDZMMTTXFF-LAUBAEHRSA-N 2 2 406.496 4.339 20 0 HIADLP CN(C(=O)c1ccc(F)c(Cl)c1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545477852 940571490 /nfs/dbraw/zinc/57/14/90/940571490.db2.gz CHKUAYAEJRJYOX-QZTJIDSGSA-N 2 2 413.940 4.027 20 0 HIADLP CN(C(=O)c1ccc(F)c(Cl)c1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545477852 940571491 /nfs/dbraw/zinc/57/14/91/940571491.db2.gz CHKUAYAEJRJYOX-QZTJIDSGSA-N 2 2 413.940 4.027 20 0 HIADLP Cc1cccn2cc(Cc3noc([C@H]4CCC[N@H+](Cc5cccc(F)c5)C4)n3)[nH+]c12 ZINC000545677746 940580186 /nfs/dbraw/zinc/58/01/86/940580186.db2.gz DGQMNCLISHUVNF-SFHVURJKSA-N 2 2 405.477 4.135 20 0 HIADLP Cc1cccn2cc(Cc3noc([C@H]4CCC[N@@H+](Cc5cccc(F)c5)C4)n3)[nH+]c12 ZINC000545677746 940580187 /nfs/dbraw/zinc/58/01/87/940580187.db2.gz DGQMNCLISHUVNF-SFHVURJKSA-N 2 2 405.477 4.135 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1 ZINC000546087449 940695635 /nfs/dbraw/zinc/69/56/35/940695635.db2.gz GGZNNLOWJPMZJG-LJQANCHMSA-N 2 2 424.570 4.107 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc1 ZINC000546087449 940695638 /nfs/dbraw/zinc/69/56/38/940695638.db2.gz GGZNNLOWJPMZJG-LJQANCHMSA-N 2 2 424.570 4.107 20 0 HIADLP Cc1c[nH+]ccc1N1CCC(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC1 ZINC000546284803 940763982 /nfs/dbraw/zinc/76/39/82/940763982.db2.gz LOMVTCUECAVQSD-UHFFFAOYSA-N 2 2 400.486 4.069 20 0 HIADLP Cc1cc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000546746814 940875643 /nfs/dbraw/zinc/87/56/43/940875643.db2.gz LTPKXQFXQHZYPG-VXKWHMMOSA-N 2 2 421.029 4.127 20 0 HIADLP Cc1cc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000546746814 940875645 /nfs/dbraw/zinc/87/56/45/940875645.db2.gz LTPKXQFXQHZYPG-VXKWHMMOSA-N 2 2 421.029 4.127 20 0 HIADLP CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+](C)C)cc1 ZINC000564030241 945357572 /nfs/dbraw/zinc/35/75/72/945357572.db2.gz VJCNIHBGHNAWDJ-REWPJTCUSA-N 2 2 410.606 4.256 20 0 HIADLP CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+](C)C)cc1 ZINC000564030241 945357574 /nfs/dbraw/zinc/35/75/74/945357574.db2.gz VJCNIHBGHNAWDJ-REWPJTCUSA-N 2 2 410.606 4.256 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)c2sccc2C)CC1 ZINC000547325134 941056256 /nfs/dbraw/zinc/05/62/56/941056256.db2.gz FHQUPUGLSHOPEK-NRFANRHFSA-N 2 2 400.588 4.348 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548931710 941130323 /nfs/dbraw/zinc/13/03/23/941130323.db2.gz YFAZDMYBWIHCRA-CVDCTZTESA-N 2 2 411.565 4.235 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548931710 941130325 /nfs/dbraw/zinc/13/03/25/941130325.db2.gz YFAZDMYBWIHCRA-CVDCTZTESA-N 2 2 411.565 4.235 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C[C@H]1c1ccccc1 ZINC000550704650 941356848 /nfs/dbraw/zinc/35/68/48/941356848.db2.gz YWZNBECKTJWEER-FVJLSDCUSA-N 2 2 401.913 4.010 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C[C@H]1c1ccccc1 ZINC000550704650 941356849 /nfs/dbraw/zinc/35/68/49/941356849.db2.gz YWZNBECKTJWEER-FVJLSDCUSA-N 2 2 401.913 4.010 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@H]1c1ccccc1 ZINC000551085984 941406813 /nfs/dbraw/zinc/40/68/13/941406813.db2.gz KIUCIIQFJRUJHD-ZJOUEHCJSA-N 2 2 417.475 4.236 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@H]1c1ccccc1 ZINC000551085984 941406817 /nfs/dbraw/zinc/40/68/17/941406817.db2.gz KIUCIIQFJRUJHD-ZJOUEHCJSA-N 2 2 417.475 4.236 20 0 HIADLP C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000551340873 941456171 /nfs/dbraw/zinc/45/61/71/941456171.db2.gz UHWPSUINPILWKQ-SFHVURJKSA-N 2 2 424.854 4.343 20 0 HIADLP C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC000551340873 941456174 /nfs/dbraw/zinc/45/61/74/941456174.db2.gz UHWPSUINPILWKQ-SFHVURJKSA-N 2 2 424.854 4.343 20 0 HIADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552046147 941573377 /nfs/dbraw/zinc/57/33/77/941573377.db2.gz ZHNJNYLIYHZFBS-VAMGGRTRSA-N 2 2 406.496 4.226 20 0 HIADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552046147 941573381 /nfs/dbraw/zinc/57/33/81/941573381.db2.gz ZHNJNYLIYHZFBS-VAMGGRTRSA-N 2 2 406.496 4.226 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000552549867 941705339 /nfs/dbraw/zinc/70/53/39/941705339.db2.gz BSIQXFZRRHGBIQ-DNVCBOLYSA-N 2 2 422.411 4.329 20 0 HIADLP CCC[C@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000553555849 941908105 /nfs/dbraw/zinc/90/81/05/941908105.db2.gz CUNAFOIKHGITKK-BJKOFHAPSA-N 2 2 416.569 4.445 20 0 HIADLP CCC[C@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000553555849 941908107 /nfs/dbraw/zinc/90/81/07/941908107.db2.gz CUNAFOIKHGITKK-BJKOFHAPSA-N 2 2 416.569 4.445 20 0 HIADLP CCc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+](CC)CC)cc1 ZINC000554452707 942149340 /nfs/dbraw/zinc/14/93/40/942149340.db2.gz FRBOREVAOWNXKT-NZQKXSOJSA-N 2 2 410.606 4.400 20 0 HIADLP CCc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+](CC)CC)cc1 ZINC000554452707 942149343 /nfs/dbraw/zinc/14/93/43/942149343.db2.gz FRBOREVAOWNXKT-NZQKXSOJSA-N 2 2 410.606 4.400 20 0 HIADLP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccc(Cl)s1 ZINC000554826205 942266025 /nfs/dbraw/zinc/26/60/25/942266025.db2.gz LLWSAQHMQRMNHW-UHFFFAOYSA-N 2 2 420.022 4.313 20 0 HIADLP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccc(Cl)s1 ZINC000554826205 942266040 /nfs/dbraw/zinc/26/60/40/942266040.db2.gz LLWSAQHMQRMNHW-UHFFFAOYSA-N 2 2 420.022 4.313 20 0 HIADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc(Cl)ccc2OCC2CC2)c2ccccc2)CC1 ZINC000555702964 942705782 /nfs/dbraw/zinc/70/57/82/942705782.db2.gz SSABGGNZIMTVCT-QHCPKHFHSA-N 2 2 413.993 4.207 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000556914634 942964410 /nfs/dbraw/zinc/96/44/10/942964410.db2.gz LTRIOFOWZKDADL-RDPSFJRHSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000556914634 942964417 /nfs/dbraw/zinc/96/44/17/942964417.db2.gz LTRIOFOWZKDADL-RDPSFJRHSA-N 2 2 402.542 4.056 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000557409551 943109283 /nfs/dbraw/zinc/10/92/83/943109283.db2.gz FYZZNEYVOFMFMD-QHCPKHFHSA-N 2 2 424.976 4.327 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000557409551 943109288 /nfs/dbraw/zinc/10/92/88/943109288.db2.gz FYZZNEYVOFMFMD-QHCPKHFHSA-N 2 2 424.976 4.327 20 0 HIADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000558875336 943713693 /nfs/dbraw/zinc/71/36/93/943713693.db2.gz PMDXLAVTPGUWTN-NRFANRHFSA-N 2 2 421.585 4.028 20 0 HIADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000558875336 943713697 /nfs/dbraw/zinc/71/36/97/943713697.db2.gz PMDXLAVTPGUWTN-NRFANRHFSA-N 2 2 421.585 4.028 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1C ZINC000558958217 943771137 /nfs/dbraw/zinc/77/11/37/943771137.db2.gz SRZOYZUWINPIMH-QFIPXVFZSA-N 2 2 424.589 4.149 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1C ZINC000558958217 943771143 /nfs/dbraw/zinc/77/11/43/943771143.db2.gz SRZOYZUWINPIMH-QFIPXVFZSA-N 2 2 424.589 4.149 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000559158184 943855466 /nfs/dbraw/zinc/85/54/66/943855466.db2.gz WCGNVZHJZYILMQ-WQTXXOFMSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000559158184 943855467 /nfs/dbraw/zinc/85/54/67/943855467.db2.gz WCGNVZHJZYILMQ-WQTXXOFMSA-N 2 2 422.564 4.004 20 0 HIADLP O[C@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000559896702 944078630 /nfs/dbraw/zinc/07/86/30/944078630.db2.gz AFBMMCMBROMENP-RPBOFIJWSA-N 2 2 421.972 4.028 20 0 HIADLP O[C@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000559896702 944078636 /nfs/dbraw/zinc/07/86/36/944078636.db2.gz AFBMMCMBROMENP-RPBOFIJWSA-N 2 2 421.972 4.028 20 0 HIADLP O[C@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000559896701 944078818 /nfs/dbraw/zinc/07/88/18/944078818.db2.gz AFBMMCMBROMENP-JWQCQUIFSA-N 2 2 421.972 4.028 20 0 HIADLP O[C@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000559896701 944078830 /nfs/dbraw/zinc/07/88/30/944078830.db2.gz AFBMMCMBROMENP-JWQCQUIFSA-N 2 2 421.972 4.028 20 0 HIADLP O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000561401898 944580942 /nfs/dbraw/zinc/58/09/42/944580942.db2.gz OOLQXSZQESODHF-IBGZPJMESA-N 2 2 404.967 4.072 20 0 HIADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000562054609 944913225 /nfs/dbraw/zinc/91/32/25/944913225.db2.gz QEJZNADJPHAAHV-LJQANCHMSA-N 2 2 408.933 4.054 20 0 HIADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000562054609 944913232 /nfs/dbraw/zinc/91/32/32/944913232.db2.gz QEJZNADJPHAAHV-LJQANCHMSA-N 2 2 408.933 4.054 20 0 HIADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000565064556 945765186 /nfs/dbraw/zinc/76/51/86/945765186.db2.gz LTDYJXMBCSESRT-HXUWFJFHSA-N 2 2 401.489 4.357 20 0 HIADLP c1ccc(CCCO[C@@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958079 945940558 /nfs/dbraw/zinc/94/05/58/945940558.db2.gz ZBYLCHIBWODILJ-FTJBHMTQSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCCO[C@@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958079 945940576 /nfs/dbraw/zinc/94/05/76/945940576.db2.gz ZBYLCHIBWODILJ-FTJBHMTQSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCCO[C@@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958079 945940590 /nfs/dbraw/zinc/94/05/90/945940590.db2.gz ZBYLCHIBWODILJ-FTJBHMTQSA-N 2 2 408.586 4.001 20 0 HIADLP c1ccc(CCCO[C@@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000565958079 945940612 /nfs/dbraw/zinc/94/06/12/945940612.db2.gz ZBYLCHIBWODILJ-FTJBHMTQSA-N 2 2 408.586 4.001 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000383 946211056 /nfs/dbraw/zinc/21/10/56/946211056.db2.gz YWTBQNVRCYCHNH-OALUTQOASA-N 2 2 417.594 4.169 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000383 946211066 /nfs/dbraw/zinc/21/10/66/946211066.db2.gz YWTBQNVRCYCHNH-OALUTQOASA-N 2 2 417.594 4.169 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000383 946211075 /nfs/dbraw/zinc/21/10/75/946211075.db2.gz YWTBQNVRCYCHNH-OALUTQOASA-N 2 2 417.594 4.169 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000567000383 946211084 /nfs/dbraw/zinc/21/10/84/946211084.db2.gz YWTBQNVRCYCHNH-OALUTQOASA-N 2 2 417.594 4.169 20 0 HIADLP Cc1cc([C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2cccc(Cl)c2)c(C)s1 ZINC000567088600 946239300 /nfs/dbraw/zinc/23/93/00/946239300.db2.gz QFIBAFRYAYIPQZ-GHTZIAJQSA-N 2 2 420.022 4.285 20 0 HIADLP Cc1cc([C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2cccc(Cl)c2)c(C)s1 ZINC000567088600 946239309 /nfs/dbraw/zinc/23/93/09/946239309.db2.gz QFIBAFRYAYIPQZ-GHTZIAJQSA-N 2 2 420.022 4.285 20 0 HIADLP Cc1cc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2cccc(Cl)c2)c(C)s1 ZINC000567088601 946239639 /nfs/dbraw/zinc/23/96/39/946239639.db2.gz QFIBAFRYAYIPQZ-NQIIRXRSSA-N 2 2 420.022 4.285 20 0 HIADLP Cc1cc([C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2cccc(Cl)c2)c(C)s1 ZINC000567088601 946239649 /nfs/dbraw/zinc/23/96/49/946239649.db2.gz QFIBAFRYAYIPQZ-NQIIRXRSSA-N 2 2 420.022 4.285 20 0 HIADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000567650660 946392822 /nfs/dbraw/zinc/39/28/22/946392822.db2.gz NHWFSJZQQWTUQR-OALUTQOASA-N 2 2 415.603 4.236 20 0 HIADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000567650660 946392834 /nfs/dbraw/zinc/39/28/34/946392834.db2.gz NHWFSJZQQWTUQR-OALUTQOASA-N 2 2 415.603 4.236 20 0 HIADLP CCOc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000567650660 946392840 /nfs/dbraw/zinc/39/28/40/946392840.db2.gz NHWFSJZQQWTUQR-OALUTQOASA-N 2 2 415.603 4.236 20 0 HIADLP CCOc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000567650660 946392851 /nfs/dbraw/zinc/39/28/51/946392851.db2.gz NHWFSJZQQWTUQR-OALUTQOASA-N 2 2 415.603 4.236 20 0 HIADLP O[C@@]1(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000569993199 947063754 /nfs/dbraw/zinc/06/37/54/947063754.db2.gz DMSMIFGWWVXGRP-JOCHJYFZSA-N 2 2 413.974 4.190 20 0 HIADLP O[C@@]1(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000569993199 947063768 /nfs/dbraw/zinc/06/37/68/947063768.db2.gz DMSMIFGWWVXGRP-JOCHJYFZSA-N 2 2 413.974 4.190 20 0 HIADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000570456953 947252827 /nfs/dbraw/zinc/25/28/27/947252827.db2.gz SLRPWFYYAXDQGT-XMMPIXPASA-N 2 2 419.569 4.355 20 0 HIADLP FC1(c2cccnc2)CC[NH+](CCC[NH+]2CCC(F)(c3cccnc3)CC2)CC1 ZINC000572771898 948006578 /nfs/dbraw/zinc/00/65/78/948006578.db2.gz ZCUYTKYEMIDAAU-UHFFFAOYSA-N 2 2 400.517 4.088 20 0 HIADLP C[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574123068 948372421 /nfs/dbraw/zinc/37/24/21/948372421.db2.gz ITTFKSATFWYYFW-FUHWJXTLSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574123068 948372430 /nfs/dbraw/zinc/37/24/30/948372430.db2.gz ITTFKSATFWYYFW-FUHWJXTLSA-N 2 2 413.363 4.097 20 0 HIADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164712603 720099390 /nfs/dbraw/zinc/09/93/90/720099390.db2.gz XHIMYWXDKDPSAN-JOCHJYFZSA-N 2 2 402.542 4.137 20 0 HIADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC001164712603 720099397 /nfs/dbraw/zinc/09/93/97/720099397.db2.gz XHIMYWXDKDPSAN-JOCHJYFZSA-N 2 2 402.542 4.137 20 0 HIADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164711674 720102551 /nfs/dbraw/zinc/10/25/51/720102551.db2.gz SJHZOJVCKURQEY-QHCPKHFHSA-N 2 2 402.542 4.137 20 0 HIADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc3ccccc3c[nH+]1)CC2 ZINC001164711674 720102562 /nfs/dbraw/zinc/10/25/62/720102562.db2.gz SJHZOJVCKURQEY-QHCPKHFHSA-N 2 2 402.542 4.137 20 0 HIADLP COc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)[nH+]c2ccccc21 ZINC001164909025 721757828 /nfs/dbraw/zinc/75/78/28/721757828.db2.gz CUQVTCOSTTTXHY-UHFFFAOYSA-N 2 2 414.509 4.426 20 0 HIADLP COc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)[nH+]c2ccccc21 ZINC001164909025 721757830 /nfs/dbraw/zinc/75/78/30/721757830.db2.gz CUQVTCOSTTTXHY-UHFFFAOYSA-N 2 2 414.509 4.426 20 0 HIADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436022499 861316631 /nfs/dbraw/zinc/31/66/31/861316631.db2.gz SABYRCMYVMYUEB-FQEVSTJZSA-N 2 2 414.981 4.220 20 0 HIADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000436022499 861316654 /nfs/dbraw/zinc/31/66/54/861316654.db2.gz SABYRCMYVMYUEB-FQEVSTJZSA-N 2 2 414.981 4.220 20 0 HIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000023479857 846705327 /nfs/dbraw/zinc/70/53/27/846705327.db2.gz ZACZINWSEGVIPJ-OAQYLSRUSA-N 2 2 420.557 4.130 20 0 HIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000023479857 846705329 /nfs/dbraw/zinc/70/53/29/846705329.db2.gz ZACZINWSEGVIPJ-OAQYLSRUSA-N 2 2 420.557 4.130 20 0 HIADLP COc1c(Br)cc(Br)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000035015357 848143298 /nfs/dbraw/zinc/14/32/98/848143298.db2.gz HRJMTMRPOQBLND-UHFFFAOYSA-N 2 2 420.189 4.186 20 0 HIADLP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000043517145 848434564 /nfs/dbraw/zinc/43/45/64/848434564.db2.gz QSEWJJZYUPXMLH-UHFFFAOYSA-N 2 2 415.607 4.293 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000045778420 848726598 /nfs/dbraw/zinc/72/65/98/848726598.db2.gz YXYXECDRMOHWPJ-FQEVSTJZSA-N 2 2 402.542 4.093 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000045778420 848726603 /nfs/dbraw/zinc/72/66/03/848726603.db2.gz YXYXECDRMOHWPJ-FQEVSTJZSA-N 2 2 402.542 4.093 20 0 HIADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045817617 848734883 /nfs/dbraw/zinc/73/48/83/848734883.db2.gz DICDMZWDCJKESW-DEOSSOPVSA-N 2 2 416.569 4.134 20 0 HIADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045817617 848734890 /nfs/dbraw/zinc/73/48/90/848734890.db2.gz DICDMZWDCJKESW-DEOSSOPVSA-N 2 2 416.569 4.134 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000046343270 848827400 /nfs/dbraw/zinc/82/74/00/848827400.db2.gz CZPFXKKWGHZWOW-PMACEKPBSA-N 2 2 409.574 4.390 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000048711536 849257860 /nfs/dbraw/zinc/25/78/60/849257860.db2.gz MXOHVVZGJMNGTM-UHFFFAOYSA-N 2 2 407.468 4.302 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-c4ccc(Cl)cc4)s3)CC2)CC1 ZINC000050800553 849411355 /nfs/dbraw/zinc/41/13/55/849411355.db2.gz VYOAQZVBQBFQTH-UHFFFAOYSA-N 2 2 418.006 4.357 20 0 HIADLP Cc1c2ccc3ccccc3c2oc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050800801 849411772 /nfs/dbraw/zinc/41/17/72/849411772.db2.gz OOGDBFBIWOXGGX-UHFFFAOYSA-N 2 2 405.542 4.183 20 0 HIADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000054382555 849855823 /nfs/dbraw/zinc/85/58/23/849855823.db2.gz LRZADKCORQDZEV-HKUYNNGSSA-N 2 2 413.591 4.086 20 0 HIADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000054382555 849855829 /nfs/dbraw/zinc/85/58/29/849855829.db2.gz LRZADKCORQDZEV-HKUYNNGSSA-N 2 2 413.591 4.086 20 0 HIADLP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058835962 850942622 /nfs/dbraw/zinc/94/26/22/850942622.db2.gz XEUVUVYZGZZSII-HSZRJFAPSA-N 2 2 409.599 4.054 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1C ZINC000060545078 851141423 /nfs/dbraw/zinc/14/14/23/851141423.db2.gz LKEDXSXAMVTRCW-LJQANCHMSA-N 2 2 424.589 4.423 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1C ZINC000060545078 851141427 /nfs/dbraw/zinc/14/14/27/851141427.db2.gz LKEDXSXAMVTRCW-LJQANCHMSA-N 2 2 424.589 4.423 20 0 HIADLP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000061011747 851272233 /nfs/dbraw/zinc/27/22/33/851272233.db2.gz FPZOIOMLERTWPS-UHFFFAOYSA-N 2 2 421.589 4.057 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000437040143 862231822 /nfs/dbraw/zinc/23/18/22/862231822.db2.gz CLJFFVMXGISZLN-UHFFFAOYSA-N 2 2 406.574 4.056 20 0 HIADLP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000063686207 851741023 /nfs/dbraw/zinc/74/10/23/851741023.db2.gz GKLYMKVQYUDWMP-QHCPKHFHSA-N 2 2 411.977 4.039 20 0 HIADLP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000063686207 851741025 /nfs/dbraw/zinc/74/10/25/851741025.db2.gz GKLYMKVQYUDWMP-QHCPKHFHSA-N 2 2 411.977 4.039 20 0 HIADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000063686207 851741027 /nfs/dbraw/zinc/74/10/27/851741027.db2.gz GKLYMKVQYUDWMP-QHCPKHFHSA-N 2 2 411.977 4.039 20 0 HIADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000063686207 851741029 /nfs/dbraw/zinc/74/10/29/851741029.db2.gz GKLYMKVQYUDWMP-QHCPKHFHSA-N 2 2 411.977 4.039 20 0 HIADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000065888201 852302937 /nfs/dbraw/zinc/30/29/37/852302937.db2.gz YKNUQIAFYLECEP-UHFFFAOYSA-N 2 2 417.553 4.423 20 0 HIADLP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000065980783 852338411 /nfs/dbraw/zinc/33/84/11/852338411.db2.gz HZHAEQZFKOHLAF-XMMPIXPASA-N 2 2 404.558 4.258 20 0 HIADLP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000065980783 852338423 /nfs/dbraw/zinc/33/84/23/852338423.db2.gz HZHAEQZFKOHLAF-XMMPIXPASA-N 2 2 404.558 4.258 20 0 HIADLP CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C[N@H+](CC)C(C)C)cc3)CC2)cc1 ZINC000110169432 853068583 /nfs/dbraw/zinc/06/85/83/853068583.db2.gz DTVYLOPRKMMSSU-UHFFFAOYSA-N 2 2 423.601 4.274 20 0 HIADLP CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C[N@@H+](CC)C(C)C)cc3)CC2)cc1 ZINC000110169432 853068590 /nfs/dbraw/zinc/06/85/90/853068590.db2.gz DTVYLOPRKMMSSU-UHFFFAOYSA-N 2 2 423.601 4.274 20 0 HIADLP Cc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc(C)c1OCc1ccccn1 ZINC000110570811 853118934 /nfs/dbraw/zinc/11/89/34/853118934.db2.gz IOYIJFTZZPXGNC-UHFFFAOYSA-N 2 2 402.542 4.431 20 0 HIADLP CCCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000116590668 853318285 /nfs/dbraw/zinc/31/82/85/853318285.db2.gz PLKGNFCEVLCDQG-VWLOTQADSA-N 2 2 416.569 4.448 20 0 HIADLP CCCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000116590668 853318294 /nfs/dbraw/zinc/31/82/94/853318294.db2.gz PLKGNFCEVLCDQG-VWLOTQADSA-N 2 2 416.569 4.448 20 0 HIADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000236626609 853905225 /nfs/dbraw/zinc/90/52/25/853905225.db2.gz KHGXVPKIMRPEPZ-LJQANCHMSA-N 2 2 419.013 4.141 20 0 HIADLP Cc1nc(COc2ccc(C[NH2+]C[C@H](C(C)C)[N@@H+]3CCc4ccccc4C3)cc2)no1 ZINC000236704057 853914386 /nfs/dbraw/zinc/91/43/86/853914386.db2.gz LXFGPUUCYXDCDX-XMMPIXPASA-N 2 2 420.557 4.130 20 0 HIADLP Cc1nc(COc2ccc(C[NH2+]C[C@H](C(C)C)[N@H+]3CCc4ccccc4C3)cc2)no1 ZINC000236704057 853914390 /nfs/dbraw/zinc/91/43/90/853914390.db2.gz LXFGPUUCYXDCDX-XMMPIXPASA-N 2 2 420.557 4.130 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(CSC(F)F)o3)cc2)CC1 ZINC000236961727 853943637 /nfs/dbraw/zinc/94/36/37/853943637.db2.gz HRQIUEHBRWVPEZ-UHFFFAOYSA-N 2 2 409.546 4.163 20 0 HIADLP COc1ccc(Br)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000237128672 853968501 /nfs/dbraw/zinc/96/85/01/853968501.db2.gz BXUSQPSYOZYQHK-UHFFFAOYSA-N 2 2 403.364 4.254 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000237126328 853968806 /nfs/dbraw/zinc/96/88/06/853968806.db2.gz OYPZAHDQZIWCJN-DYESRHJHSA-N 2 2 415.965 4.492 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000237131622 853969835 /nfs/dbraw/zinc/96/98/35/853969835.db2.gz TZNFSRDRGOWKTO-MRXNPFEDSA-N 2 2 412.921 4.100 20 0 HIADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1OCc1cccnc1 ZINC000237423371 854030094 /nfs/dbraw/zinc/03/00/94/854030094.db2.gz QFSZRPCBZNYNNM-XMMPIXPASA-N 2 2 417.553 4.423 20 0 HIADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1OCc1cccnc1 ZINC000237423371 854030098 /nfs/dbraw/zinc/03/00/98/854030098.db2.gz QFSZRPCBZNYNNM-XMMPIXPASA-N 2 2 417.553 4.423 20 0 HIADLP COc1ccc(OCc2nc(C[NH2+]Cc3ccc(F)c(C[NH+](C)C)c3)cs2)cc1 ZINC000237446362 854035027 /nfs/dbraw/zinc/03/50/27/854035027.db2.gz ZLKPUOTYHRMJHH-UHFFFAOYSA-N 2 2 415.534 4.221 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000237518931 854048791 /nfs/dbraw/zinc/04/87/91/854048791.db2.gz KTFQOYBHPPLXRL-KUHUBIRLSA-N 2 2 408.771 4.498 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1Br ZINC000237518931 854048794 /nfs/dbraw/zinc/04/87/94/854048794.db2.gz KTFQOYBHPPLXRL-KUHUBIRLSA-N 2 2 408.771 4.498 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cn1 ZINC000237655592 854068665 /nfs/dbraw/zinc/06/86/65/854068665.db2.gz BICFAKZHJKUIBL-UHFFFAOYSA-N 2 2 421.508 4.113 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000237775551 854094844 /nfs/dbraw/zinc/09/48/44/854094844.db2.gz QLSSQDVANJPMQH-SZPZYZBQSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000237775551 854094847 /nfs/dbraw/zinc/09/48/47/854094847.db2.gz QLSSQDVANJPMQH-SZPZYZBQSA-N 3 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000237775551 854094852 /nfs/dbraw/zinc/09/48/52/854094852.db2.gz QLSSQDVANJPMQH-SZPZYZBQSA-N 2 2 407.602 4.050 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000237775551 854094855 /nfs/dbraw/zinc/09/48/55/854094855.db2.gz QLSSQDVANJPMQH-SZPZYZBQSA-N 2 2 407.602 4.050 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccc(Cl)cc1 ZINC000303026686 854729057 /nfs/dbraw/zinc/72/90/57/854729057.db2.gz OJERPCVUXXTGRW-UFYCRDLUSA-N 2 2 406.014 4.350 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccc(Cl)cc1 ZINC000303026686 854729064 /nfs/dbraw/zinc/72/90/64/854729064.db2.gz OJERPCVUXXTGRW-UFYCRDLUSA-N 2 2 406.014 4.350 20 0 HIADLP CC(C)[C@H](SCc1ccccc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000303935807 855302714 /nfs/dbraw/zinc/30/27/14/855302714.db2.gz CPUFRJROJHMCAX-QFIPXVFZSA-N 2 2 417.663 4.011 20 0 HIADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000311184241 855368791 /nfs/dbraw/zinc/36/87/91/855368791.db2.gz BIMKGZAOARQJBB-GOSISDBHSA-N 2 2 403.364 4.460 20 0 HIADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000311184241 855368796 /nfs/dbraw/zinc/36/87/96/855368796.db2.gz BIMKGZAOARQJBB-GOSISDBHSA-N 2 2 403.364 4.460 20 0 HIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC000387509918 855444934 /nfs/dbraw/zinc/44/49/34/855444934.db2.gz YQJJGQJGBUPRFB-LEWJYISDSA-N 2 2 401.595 4.467 20 0 HIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC000387509918 855444938 /nfs/dbraw/zinc/44/49/38/855444938.db2.gz YQJJGQJGBUPRFB-LEWJYISDSA-N 2 2 401.595 4.467 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000398016323 855474034 /nfs/dbraw/zinc/47/40/34/855474034.db2.gz HBPUQAOLYUIQDX-BEFAXECRSA-N 2 2 418.335 4.358 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000398016323 855474036 /nfs/dbraw/zinc/47/40/36/855474036.db2.gz HBPUQAOLYUIQDX-BEFAXECRSA-N 2 2 418.335 4.358 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426019542 856050434 /nfs/dbraw/zinc/05/04/34/856050434.db2.gz FLIRQINVZISSRE-WTIAFYNJSA-N 2 2 409.578 4.066 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426019542 856050439 /nfs/dbraw/zinc/05/04/39/856050439.db2.gz FLIRQINVZISSRE-WTIAFYNJSA-N 2 2 409.578 4.066 20 0 HIADLP Fc1ccc(Br)cc1[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427875400 856990185 /nfs/dbraw/zinc/99/01/85/856990185.db2.gz SZKBVPLKGVEFMX-OXQOHEQNSA-N 2 2 400.295 4.479 20 0 HIADLP Cc1cccc(Oc2ccccc2NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000437556019 862884242 /nfs/dbraw/zinc/88/42/42/862884242.db2.gz JXBKGCVWBZBCCU-UHFFFAOYSA-N 2 2 410.562 4.277 20 0 HIADLP Cc1cccc(Oc2ccccc2NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000437556019 862884243 /nfs/dbraw/zinc/88/42/43/862884243.db2.gz JXBKGCVWBZBCCU-UHFFFAOYSA-N 2 2 410.562 4.277 20 0 HIADLP FC(F)Oc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000428552098 857262112 /nfs/dbraw/zinc/26/21/12/857262112.db2.gz LVEIDDJADAWXPH-SFHVURJKSA-N 2 2 410.892 4.322 20 0 HIADLP FC(F)Oc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000428552098 857262123 /nfs/dbraw/zinc/26/21/23/857262123.db2.gz LVEIDDJADAWXPH-SFHVURJKSA-N 2 2 410.892 4.322 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000428559972 857266267 /nfs/dbraw/zinc/26/62/67/857266267.db2.gz QWJOZGBMZWZRHM-QFIPXVFZSA-N 2 2 411.594 4.013 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000428614198 857278785 /nfs/dbraw/zinc/27/87/85/857278785.db2.gz CXCGMJALJUSDSB-WIYYLYMNSA-N 2 2 417.623 4.012 20 0 HIADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000428614198 857278792 /nfs/dbraw/zinc/27/87/92/857278792.db2.gz CXCGMJALJUSDSB-WIYYLYMNSA-N 2 2 417.623 4.012 20 0 HIADLP CC(C)C[C@@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000428777469 857333216 /nfs/dbraw/zinc/33/32/16/857333216.db2.gz IMVQBEYSXKMGIF-FPOVZHCZSA-N 2 2 411.594 4.126 20 0 HIADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000428805120 857352268 /nfs/dbraw/zinc/35/22/68/857352268.db2.gz NZLIDVUCNVTALJ-UHFFFAOYSA-N 2 2 411.594 4.183 20 0 HIADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000428805120 857352274 /nfs/dbraw/zinc/35/22/74/857352274.db2.gz NZLIDVUCNVTALJ-UHFFFAOYSA-N 2 2 411.594 4.183 20 0 HIADLP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429414858 857654355 /nfs/dbraw/zinc/65/43/55/857654355.db2.gz GUALLVHTMHADKM-DLBZAZTESA-N 2 2 414.347 4.137 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c2cccs2)cc1 ZINC000429797928 857888293 /nfs/dbraw/zinc/88/82/93/857888293.db2.gz DYDGNGKBNKSJIE-XZOYJPPVSA-N 2 2 413.631 4.178 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c2cccs2)cc1 ZINC000429797928 857888305 /nfs/dbraw/zinc/88/83/05/857888305.db2.gz DYDGNGKBNKSJIE-XZOYJPPVSA-N 2 2 413.631 4.178 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c2cccs2)cc1 ZINC000429797928 857888306 /nfs/dbraw/zinc/88/83/06/857888306.db2.gz DYDGNGKBNKSJIE-XZOYJPPVSA-N 2 2 413.631 4.178 20 0 HIADLP CCc1ccc([C@H](NC(=O)C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c2cccs2)cc1 ZINC000429797928 857888315 /nfs/dbraw/zinc/88/83/15/857888315.db2.gz DYDGNGKBNKSJIE-XZOYJPPVSA-N 2 2 413.631 4.178 20 0 HIADLP COc1ccccc1-c1ncc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000430072592 858019890 /nfs/dbraw/zinc/01/98/90/858019890.db2.gz SRAWBAHJXUQYKV-AREMUKBSSA-N 2 2 414.553 4.250 20 0 HIADLP COc1ccccc1-c1ncc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000430072592 858019897 /nfs/dbraw/zinc/01/98/97/858019897.db2.gz SRAWBAHJXUQYKV-AREMUKBSSA-N 2 2 414.553 4.250 20 0 HIADLP COc1ccccc1-c1ncc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000430072592 858019905 /nfs/dbraw/zinc/01/99/05/858019905.db2.gz SRAWBAHJXUQYKV-AREMUKBSSA-N 2 2 414.553 4.250 20 0 HIADLP COc1ccccc1-c1ncc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000430072592 858019917 /nfs/dbraw/zinc/01/99/17/858019917.db2.gz SRAWBAHJXUQYKV-AREMUKBSSA-N 2 2 414.553 4.250 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000430197643 858077599 /nfs/dbraw/zinc/07/75/99/858077599.db2.gz VUKMHKMOLZUPGM-VWLOTQADSA-N 2 2 420.601 4.008 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000430197643 858077611 /nfs/dbraw/zinc/07/76/11/858077611.db2.gz VUKMHKMOLZUPGM-VWLOTQADSA-N 2 2 420.601 4.008 20 0 HIADLP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000430832453 858321779 /nfs/dbraw/zinc/32/17/79/858321779.db2.gz ZBJJBHBXWONSEW-ISKFKSNPSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1oc(-c2ccsc2)nc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430943890 858377792 /nfs/dbraw/zinc/37/77/92/858377792.db2.gz QRTIOMRNBNQZIX-UHFFFAOYSA-N 3 2 416.635 4.340 20 0 HIADLP Cc1oc(-c2ccsc2)nc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430943890 858377794 /nfs/dbraw/zinc/37/77/94/858377794.db2.gz QRTIOMRNBNQZIX-UHFFFAOYSA-N 3 2 416.635 4.340 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccccc1Cl ZINC000431557552 858668854 /nfs/dbraw/zinc/66/88/54/858668854.db2.gz PDJHVRCSLBEUIU-HSZRJFAPSA-N 2 2 424.976 4.327 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2)C1 ZINC000431756127 858791863 /nfs/dbraw/zinc/79/18/63/858791863.db2.gz FJKXJFBZKCBORU-NRFANRHFSA-N 2 2 416.569 4.022 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2)C1 ZINC000431756127 858791876 /nfs/dbraw/zinc/79/18/76/858791876.db2.gz FJKXJFBZKCBORU-NRFANRHFSA-N 2 2 416.569 4.022 20 0 HIADLP CC1CC[NH+](Cc2ccc(CNC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2)CC1 ZINC000431925467 858873330 /nfs/dbraw/zinc/87/33/30/858873330.db2.gz PQTCXCALOFHXRP-UHFFFAOYSA-N 2 2 416.569 4.022 20 0 HIADLP Clc1scc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1Cl ZINC000432240049 859063801 /nfs/dbraw/zinc/06/38/01/859063801.db2.gz ITQDFGNTMIVCOP-UHFFFAOYSA-N 2 2 401.359 4.056 20 0 HIADLP Fc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c(Cl)c1Cl ZINC000432241364 859064409 /nfs/dbraw/zinc/06/44/09/859064409.db2.gz OWRLRWLUFGAOJX-UHFFFAOYSA-N 2 2 413.320 4.133 20 0 HIADLP COc1cc(C[NH+](C)Cc2cnc(C)s2)cc(C[N@H+](C)Cc2cnc(C)s2)c1 ZINC000432925063 859433831 /nfs/dbraw/zinc/43/38/31/859433831.db2.gz QADVWVJTDQUIAS-UHFFFAOYSA-N 2 2 416.616 4.489 20 0 HIADLP COc1cc(C[NH+](C)Cc2cnc(C)s2)cc(C[N@@H+](C)Cc2cnc(C)s2)c1 ZINC000432925063 859433836 /nfs/dbraw/zinc/43/38/36/859433836.db2.gz QADVWVJTDQUIAS-UHFFFAOYSA-N 2 2 416.616 4.489 20 0 HIADLP O=C1[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCN1c1ccccc1Cl ZINC000434678959 860455567 /nfs/dbraw/zinc/45/55/67/860455567.db2.gz AMVHGXFEMLVAKC-OAQYLSRUSA-N 2 2 412.965 4.248 20 0 HIADLP Brc1ccccc1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690268 860462879 /nfs/dbraw/zinc/46/28/79/860462879.db2.gz FUIXAKGCCYZCKP-UHFFFAOYSA-N 2 2 404.352 4.240 20 0 HIADLP CC[C@@H](NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(Cl)cc1 ZINC000434755857 860483471 /nfs/dbraw/zinc/48/34/71/860483471.db2.gz XYXPOBYXAVEZPK-OAQYLSRUSA-N 2 2 414.981 4.320 20 0 HIADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000434990797 860587975 /nfs/dbraw/zinc/58/79/75/860587975.db2.gz JGZDMKGAWUJUMD-UHFFFAOYSA-N 2 2 409.393 4.066 20 0 HIADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000434990797 860587979 /nfs/dbraw/zinc/58/79/79/860587979.db2.gz JGZDMKGAWUJUMD-UHFFFAOYSA-N 2 2 409.393 4.066 20 0 HIADLP COc1cc(Br)ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435062236 860622516 /nfs/dbraw/zinc/62/25/16/860622516.db2.gz YHRGJYGDTTTZHZ-UHFFFAOYSA-N 2 2 404.352 4.370 20 0 HIADLP COc1sc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1Br ZINC000435062258 860622579 /nfs/dbraw/zinc/62/25/79/860622579.db2.gz YMDWLUUAOOXZER-UHFFFAOYSA-N 2 2 410.381 4.432 20 0 HIADLP C[N@@H+]1CCO[C@@H]([C@@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC000467753239 881563515 /nfs/dbraw/zinc/56/35/15/881563515.db2.gz OGWPPFLONJZKAO-RPWUZVMVSA-N 2 2 413.993 4.097 20 0 HIADLP C[N@H+]1CCO[C@@H]([C@@H](NCc2cccc(C[NH+]3CCCC3)c2)c2ccc(Cl)cc2)C1 ZINC000467753239 881563533 /nfs/dbraw/zinc/56/35/33/881563533.db2.gz OGWPPFLONJZKAO-RPWUZVMVSA-N 2 2 413.993 4.097 20 0 HIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536846 860850973 /nfs/dbraw/zinc/85/09/73/860850973.db2.gz MJMWKBMZGYZMTF-KEVKATSASA-N 2 2 408.586 4.021 20 0 HIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536846 860850978 /nfs/dbraw/zinc/85/09/78/860850978.db2.gz MJMWKBMZGYZMTF-KEVKATSASA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536846 860850981 /nfs/dbraw/zinc/85/09/81/860850981.db2.gz MJMWKBMZGYZMTF-KEVKATSASA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000435536846 860850987 /nfs/dbraw/zinc/85/09/87/860850987.db2.gz MJMWKBMZGYZMTF-KEVKATSASA-N 2 2 408.586 4.021 20 0 HIADLP Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000440755128 865891891 /nfs/dbraw/zinc/89/18/91/865891891.db2.gz CMJLNQISLQUNNK-WXFUMESZSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccc([C@H](OC[C@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2)cc1 ZINC000440755128 865891893 /nfs/dbraw/zinc/89/18/93/865891893.db2.gz CMJLNQISLQUNNK-WXFUMESZSA-N 2 2 405.542 4.065 20 0 HIADLP Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000441322423 866392620 /nfs/dbraw/zinc/39/26/20/866392620.db2.gz KBTDJLBTMHTIMH-JWQCQUIFSA-N 2 2 421.585 4.034 20 0 HIADLP Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000441322423 866392629 /nfs/dbraw/zinc/39/26/29/866392629.db2.gz KBTDJLBTMHTIMH-JWQCQUIFSA-N 2 2 421.585 4.034 20 0 HIADLP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000441322424 866392779 /nfs/dbraw/zinc/39/27/79/866392779.db2.gz KBTDJLBTMHTIMH-LOSJGSFVSA-N 2 2 421.585 4.034 20 0 HIADLP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000441322424 866392787 /nfs/dbraw/zinc/39/27/87/866392787.db2.gz KBTDJLBTMHTIMH-LOSJGSFVSA-N 2 2 421.585 4.034 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441361223 866430950 /nfs/dbraw/zinc/43/09/50/866430950.db2.gz FRJBDPUXVMZUBM-KNQAVFIVSA-N 2 2 406.530 4.257 20 0 HIADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441407349 866481912 /nfs/dbraw/zinc/48/19/12/866481912.db2.gz GWXWOJMHZALYJD-UZLBHIALSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441407349 866481914 /nfs/dbraw/zinc/48/19/14/866481914.db2.gz GWXWOJMHZALYJD-UZLBHIALSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1cc2cccnc2c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441407349 866481923 /nfs/dbraw/zinc/48/19/23/866481923.db2.gz GWXWOJMHZALYJD-UZLBHIALSA-N 2 2 400.364 4.446 20 0 HIADLP Brc1cc2cccnc2c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441407349 866481928 /nfs/dbraw/zinc/48/19/28/866481928.db2.gz GWXWOJMHZALYJD-UZLBHIALSA-N 2 2 400.364 4.446 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1Br ZINC000441414099 866487859 /nfs/dbraw/zinc/48/78/59/866487859.db2.gz RWVFCIBDGFCPAH-YRNRMSPPSA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1Br ZINC000441414099 866487866 /nfs/dbraw/zinc/48/78/66/866487866.db2.gz RWVFCIBDGFCPAH-YRNRMSPPSA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1Br ZINC000441414099 866487876 /nfs/dbraw/zinc/48/78/76/866487876.db2.gz RWVFCIBDGFCPAH-YRNRMSPPSA-N 2 2 420.395 4.033 20 0 HIADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1Br ZINC000441414099 866487883 /nfs/dbraw/zinc/48/78/83/866487883.db2.gz RWVFCIBDGFCPAH-YRNRMSPPSA-N 2 2 420.395 4.033 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(C)c1 ZINC000441499415 866581271 /nfs/dbraw/zinc/58/12/71/866581271.db2.gz MMGIBOUCVBYFCH-XMMPIXPASA-N 2 2 423.605 4.338 20 0 HIADLP CC[N@H+](C[C@@H](O)COc1ccccc1C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441609757 866706135 /nfs/dbraw/zinc/70/61/35/866706135.db2.gz FQZFONIUDFRSFO-JOCHJYFZSA-N 2 2 411.590 4.183 20 0 HIADLP CC[N@@H+](C[C@@H](O)COc1ccccc1C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441609757 866706161 /nfs/dbraw/zinc/70/61/61/866706161.db2.gz FQZFONIUDFRSFO-JOCHJYFZSA-N 2 2 411.590 4.183 20 0 HIADLP CC[N@H+](C[C@H](O)COc1ccccc1C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441609936 866706728 /nfs/dbraw/zinc/70/67/28/866706728.db2.gz FQZFONIUDFRSFO-QFIPXVFZSA-N 2 2 411.590 4.183 20 0 HIADLP CC[N@@H+](C[C@H](O)COc1ccccc1C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000441609936 866706768 /nfs/dbraw/zinc/70/67/68/866706768.db2.gz FQZFONIUDFRSFO-QFIPXVFZSA-N 2 2 411.590 4.183 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2cccc(OCC[NH+](C)C)c2)c(C)c1 ZINC000442193824 867217290 /nfs/dbraw/zinc/21/72/90/867217290.db2.gz IYMIOXTZBDNECE-QHCPKHFHSA-N 2 2 421.545 4.003 20 0 HIADLP CC[N@H+](Cc1nc(C2CCCC2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000443582793 868136805 /nfs/dbraw/zinc/13/68/05/868136805.db2.gz PGPIXPRAGPJVTM-UHFFFAOYSA-N 2 2 412.582 4.440 20 0 HIADLP CC[N@@H+](Cc1nc(C2CCCC2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000443582793 868136820 /nfs/dbraw/zinc/13/68/20/868136820.db2.gz PGPIXPRAGPJVTM-UHFFFAOYSA-N 2 2 412.582 4.440 20 0 HIADLP CCC[N@H+](Cc1nc(C(F)(F)F)cs1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000443582408 868137695 /nfs/dbraw/zinc/13/76/95/868137695.db2.gz NEZUALJIUKXKBK-UHFFFAOYSA-N 2 2 413.513 4.450 20 0 HIADLP CCC[N@@H+](Cc1nc(C(F)(F)F)cs1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000443582408 868137703 /nfs/dbraw/zinc/13/77/03/868137703.db2.gz NEZUALJIUKXKBK-UHFFFAOYSA-N 2 2 413.513 4.450 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000444790347 869005972 /nfs/dbraw/zinc/00/59/72/869005972.db2.gz HXNZLIQYHFMSAD-CQSZACIVSA-N 2 2 401.308 4.217 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000444790347 869005987 /nfs/dbraw/zinc/00/59/87/869005987.db2.gz HXNZLIQYHFMSAD-CQSZACIVSA-N 2 2 401.308 4.217 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444795080 869011135 /nfs/dbraw/zinc/01/11/35/869011135.db2.gz LRWUNTZZHIMELE-NZQKXSOJSA-N 2 2 418.541 4.378 20 0 HIADLP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444795080 869011156 /nfs/dbraw/zinc/01/11/56/869011156.db2.gz LRWUNTZZHIMELE-NZQKXSOJSA-N 2 2 418.541 4.378 20 0 HIADLP Cc1cc(Cl)c2ccccc2c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000444916614 869102094 /nfs/dbraw/zinc/10/20/94/869102094.db2.gz ASTURLSSYIDVFT-UHFFFAOYSA-N 2 2 414.981 4.482 20 0 HIADLP CC(C)C[C@H](CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000445214929 869280191 /nfs/dbraw/zinc/28/01/91/869280191.db2.gz MMKJPSVRBQQUEY-KSEOMHKRSA-N 2 2 411.594 4.075 20 0 HIADLP CSc1nnc(CCC[NH2+][C@@H]2C[C@H](C)C[N@H+](Cc3ccccc3)C2)n1CC(C)C ZINC000468428957 882372062 /nfs/dbraw/zinc/37/20/62/882372062.db2.gz LHGKVHZKJYVTGL-PZJWPPBQSA-N 2 2 415.651 4.089 20 0 HIADLP CSc1nnc(CCC[NH2+][C@@H]2C[C@H](C)C[N@@H+](Cc3ccccc3)C2)n1CC(C)C ZINC000468428957 882372095 /nfs/dbraw/zinc/37/20/95/882372095.db2.gz LHGKVHZKJYVTGL-PZJWPPBQSA-N 2 2 415.651 4.089 20 0 HIADLP COc1cc(C)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000446353016 870262726 /nfs/dbraw/zinc/26/27/26/870262726.db2.gz LWKLYWDUAZUPPY-YADHBBJMSA-N 2 2 416.610 4.113 20 0 HIADLP COc1cc(C)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000446353016 870262739 /nfs/dbraw/zinc/26/27/39/870262739.db2.gz LWKLYWDUAZUPPY-YADHBBJMSA-N 2 2 416.610 4.113 20 0 HIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(Br)cc1F ZINC000446937769 870848521 /nfs/dbraw/zinc/84/85/21/870848521.db2.gz SWBGJEDBLLHRHO-CZUORRHYSA-N 2 2 407.331 4.297 20 0 HIADLP c1cn(CCc2ccccc2)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000447580379 871482218 /nfs/dbraw/zinc/48/22/18/871482218.db2.gz OGQMCRQWSOREGF-QEIWAGNOSA-N 2 2 400.570 4.411 20 0 HIADLP c1cn(CCc2ccccc2)c(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000447580379 871482243 /nfs/dbraw/zinc/48/22/43/871482243.db2.gz OGQMCRQWSOREGF-QEIWAGNOSA-N 2 2 400.570 4.411 20 0 HIADLP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447670877 871600834 /nfs/dbraw/zinc/60/08/34/871600834.db2.gz OFRZPRKHBPCQAR-QHCPKHFHSA-N 2 2 424.564 4.119 20 0 HIADLP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000447670877 871600855 /nfs/dbraw/zinc/60/08/55/871600855.db2.gz OFRZPRKHBPCQAR-QHCPKHFHSA-N 2 2 424.564 4.119 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1Br ZINC000447937969 871818670 /nfs/dbraw/zinc/81/86/70/871818670.db2.gz YOAWXGYLGMNZGW-OAHLLOKOSA-N 2 2 405.384 4.155 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)c1Br ZINC000447937969 871818676 /nfs/dbraw/zinc/81/86/76/871818676.db2.gz YOAWXGYLGMNZGW-OAHLLOKOSA-N 2 2 405.384 4.155 20 0 HIADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)([NH+]2CCCCC2)CC1 ZINC000460496428 873182180 /nfs/dbraw/zinc/18/21/80/873182180.db2.gz YZTQNXGJAOJZQR-MOPGFXCFSA-N 2 2 424.416 4.163 20 0 HIADLP C[NH+]1CCC(CNC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)([NH+]2CCCCC2)CC1 ZINC000460502821 873188296 /nfs/dbraw/zinc/18/82/96/873188296.db2.gz JVKOJCVJEJUZQS-UKEUTYLDSA-N 2 2 401.639 4.050 20 0 HIADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2csc(-c3ccccc3F)n2)nc[nH+]1 ZINC000462817196 875858863 /nfs/dbraw/zinc/85/88/63/875858863.db2.gz NBICUBOAFPLIGE-LSDHHAIUSA-N 2 2 412.538 4.101 20 0 HIADLP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1cc(F)cc(Br)c1 ZINC000462904846 875930943 /nfs/dbraw/zinc/93/09/43/875930943.db2.gz WSTJLCBYYAWNDF-SFHVURJKSA-N 2 2 415.347 4.047 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]Cc2cn3cc(Br)ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000463074038 876105695 /nfs/dbraw/zinc/10/56/95/876105695.db2.gz NVFMCZAVLFSPGV-LPHOPBHVSA-N 2 2 413.363 4.240 20 0 HIADLP C[C@H]1C[C@@H]([NH2+]Cc2cn3cc(Br)ccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000463074038 876105701 /nfs/dbraw/zinc/10/57/01/876105701.db2.gz NVFMCZAVLFSPGV-LPHOPBHVSA-N 2 2 413.363 4.240 20 0 HIADLP Brc1ccc2nc(C[N@@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)oc2c1 ZINC000463196038 876253814 /nfs/dbraw/zinc/25/38/14/876253814.db2.gz IBOWHUFIHDDPRH-AWEZNQCLSA-N 2 2 401.308 4.113 20 0 HIADLP Brc1ccc2nc(C[N@H+]3CC[C@H](n4c[nH+]c5c4CCCC5)C3)oc2c1 ZINC000463196038 876253831 /nfs/dbraw/zinc/25/38/31/876253831.db2.gz IBOWHUFIHDDPRH-AWEZNQCLSA-N 2 2 401.308 4.113 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000463243296 876299870 /nfs/dbraw/zinc/29/98/70/876299870.db2.gz OGCQECAHUROLFN-KPFFTGBYSA-N 2 2 408.464 4.261 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000463243296 876299883 /nfs/dbraw/zinc/29/98/83/876299883.db2.gz OGCQECAHUROLFN-KPFFTGBYSA-N 2 2 408.464 4.261 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000463284407 876343830 /nfs/dbraw/zinc/34/38/30/876343830.db2.gz RFXFRNKDDSJLFE-IBGZPJMESA-N 2 2 423.557 4.007 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000468961835 883027742 /nfs/dbraw/zinc/02/77/42/883027742.db2.gz MXPFEQZJTYFGJW-OTPAQWSUSA-N 2 2 421.585 4.289 20 0 HIADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)c2)C[C@@H](C)O1 ZINC000468961835 883027764 /nfs/dbraw/zinc/02/77/64/883027764.db2.gz MXPFEQZJTYFGJW-OTPAQWSUSA-N 2 2 421.585 4.289 20 0 HIADLP C[N@H+](CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)Cc1ccc(F)cc1 ZINC000463681583 876803536 /nfs/dbraw/zinc/80/35/36/876803536.db2.gz HFBFMFSUFZDOAQ-UHFFFAOYSA-N 2 2 421.520 4.279 20 0 HIADLP C[N@@H+](CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)Cc1ccc(F)cc1 ZINC000463681583 876803539 /nfs/dbraw/zinc/80/35/39/876803539.db2.gz HFBFMFSUFZDOAQ-UHFFFAOYSA-N 2 2 421.520 4.279 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccc(F)cc1 ZINC000463695006 876814235 /nfs/dbraw/zinc/81/42/35/876814235.db2.gz ANXZYQWWYZBETL-QFIPXVFZSA-N 2 2 421.520 4.450 20 0 HIADLP C[NH+](C)[C@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1ccccc1 ZINC000463696694 876816989 /nfs/dbraw/zinc/81/69/89/876816989.db2.gz JKLGUNXOVIBZCW-JOCHJYFZSA-N 2 2 403.530 4.311 20 0 HIADLP C[NH+](C)CCCC1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000463710987 876831093 /nfs/dbraw/zinc/83/10/93/876831093.db2.gz PSBSYKWMGIELHZ-UHFFFAOYSA-N 2 2 409.578 4.472 20 0 HIADLP CCC[N@H+](Cc1nnc(-c2ccccc2)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000464678640 877895141 /nfs/dbraw/zinc/89/51/41/877895141.db2.gz QGXPAWNOBKBGLR-UHFFFAOYSA-N 2 2 422.602 4.493 20 0 HIADLP CCC[N@@H+](Cc1nnc(-c2ccccc2)s1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000464678640 877895157 /nfs/dbraw/zinc/89/51/57/877895157.db2.gz QGXPAWNOBKBGLR-UHFFFAOYSA-N 2 2 422.602 4.493 20 0 HIADLP CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464802949 878044677 /nfs/dbraw/zinc/04/46/77/878044677.db2.gz SWLMPYTYWQRBHA-UHFFFAOYSA-N 2 2 400.954 4.302 20 0 HIADLP CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464802949 878044698 /nfs/dbraw/zinc/04/46/98/878044698.db2.gz SWLMPYTYWQRBHA-UHFFFAOYSA-N 2 2 400.954 4.302 20 0 HIADLP CC[N@@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806334 878052888 /nfs/dbraw/zinc/05/28/88/878052888.db2.gz PCEHDHBCFCMZFJ-DEOSSOPVSA-N 2 2 420.601 4.156 20 0 HIADLP CC[N@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806334 878052893 /nfs/dbraw/zinc/05/28/93/878052893.db2.gz PCEHDHBCFCMZFJ-DEOSSOPVSA-N 2 2 420.601 4.156 20 0 HIADLP CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812822 878063954 /nfs/dbraw/zinc/06/39/54/878063954.db2.gz WSUDOPQZBZMHCV-UHFFFAOYSA-N 2 2 400.592 4.245 20 0 HIADLP CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464812822 878063976 /nfs/dbraw/zinc/06/39/76/878063976.db2.gz WSUDOPQZBZMHCV-UHFFFAOYSA-N 2 2 400.592 4.245 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844554 878114362 /nfs/dbraw/zinc/11/43/62/878114362.db2.gz BDVNSHGUHRROBD-IFMALSPDSA-N 2 2 411.615 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464844554 878114369 /nfs/dbraw/zinc/11/43/69/878114369.db2.gz BDVNSHGUHRROBD-IFMALSPDSA-N 2 2 411.615 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464844554 878114373 /nfs/dbraw/zinc/11/43/73/878114373.db2.gz BDVNSHGUHRROBD-IFMALSPDSA-N 2 2 411.615 4.038 20 0 HIADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464844554 878114376 /nfs/dbraw/zinc/11/43/76/878114376.db2.gz BDVNSHGUHRROBD-IFMALSPDSA-N 2 2 411.615 4.038 20 0 HIADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H](c2ccco2)C1 ZINC000464850151 878127544 /nfs/dbraw/zinc/12/75/44/878127544.db2.gz LTSDKVJXFRECHC-GHTZIAJQSA-N 2 2 413.587 4.240 20 0 HIADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H](c2ccco2)C1 ZINC000464850151 878127560 /nfs/dbraw/zinc/12/75/60/878127560.db2.gz LTSDKVJXFRECHC-GHTZIAJQSA-N 2 2 413.587 4.240 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464857819 878139382 /nfs/dbraw/zinc/13/93/82/878139382.db2.gz WDAGNCOIPXMQPU-BAGYTPMASA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464857819 878139390 /nfs/dbraw/zinc/13/93/90/878139390.db2.gz WDAGNCOIPXMQPU-BAGYTPMASA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464857819 878139401 /nfs/dbraw/zinc/13/94/01/878139401.db2.gz WDAGNCOIPXMQPU-BAGYTPMASA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464857819 878139417 /nfs/dbraw/zinc/13/94/17/878139417.db2.gz WDAGNCOIPXMQPU-BAGYTPMASA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464857822 878139906 /nfs/dbraw/zinc/13/99/06/878139906.db2.gz WDAGNCOIPXMQPU-CEMLEFRQSA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464857822 878139915 /nfs/dbraw/zinc/13/99/15/878139915.db2.gz WDAGNCOIPXMQPU-CEMLEFRQSA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464857822 878139936 /nfs/dbraw/zinc/13/99/36/878139936.db2.gz WDAGNCOIPXMQPU-CEMLEFRQSA-N 2 2 411.615 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464857822 878139949 /nfs/dbraw/zinc/13/99/49/878139949.db2.gz WDAGNCOIPXMQPU-CEMLEFRQSA-N 2 2 411.615 4.254 20 0 HIADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503410836 912392881 /nfs/dbraw/zinc/39/28/81/912392881.db2.gz NCPKOGLPCCFRAW-OAQYLSRUSA-N 2 2 408.590 4.226 20 0 HIADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503410836 912392902 /nfs/dbraw/zinc/39/29/02/912392902.db2.gz NCPKOGLPCCFRAW-OAQYLSRUSA-N 2 2 408.590 4.226 20 0 HIADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000465550515 879014851 /nfs/dbraw/zinc/01/48/51/879014851.db2.gz SZGZDCTTZUYGKY-PXNSSMCTSA-N 2 2 424.992 4.132 20 0 HIADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000465550515 879014876 /nfs/dbraw/zinc/01/48/76/879014876.db2.gz SZGZDCTTZUYGKY-PXNSSMCTSA-N 2 2 424.992 4.132 20 0 HIADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000465550516 879015325 /nfs/dbraw/zinc/01/53/25/879015325.db2.gz SZGZDCTTZUYGKY-XLIONFOSSA-N 2 2 424.992 4.132 20 0 HIADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000465550516 879015341 /nfs/dbraw/zinc/01/53/41/879015341.db2.gz SZGZDCTTZUYGKY-XLIONFOSSA-N 2 2 424.992 4.132 20 0 HIADLP CC[C@H](C)[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465803166 879415352 /nfs/dbraw/zinc/41/53/52/879415352.db2.gz CEGBBFKXFYEIGC-HTAPYJJXSA-N 2 2 421.029 4.285 20 0 HIADLP Cc1cccc([C@H]2CCCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000465803981 879417076 /nfs/dbraw/zinc/41/70/76/879417076.db2.gz CTNCPDXYDNDSQL-XMMPIXPASA-N 2 2 412.622 4.099 20 0 HIADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000465906203 879568939 /nfs/dbraw/zinc/56/89/39/879568939.db2.gz NKAQWZOXEKWLOM-GOSISDBHSA-N 2 2 414.619 4.212 20 0 HIADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000467169120 880897736 /nfs/dbraw/zinc/89/77/36/880897736.db2.gz KWDMFEQQPNQSEU-SFHVURJKSA-N 2 2 410.002 4.107 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000469136038 883230972 /nfs/dbraw/zinc/23/09/72/883230972.db2.gz VOGDPXKKCMZADU-XMMPIXPASA-N 2 2 401.510 4.007 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000469136038 883230985 /nfs/dbraw/zinc/23/09/85/883230985.db2.gz VOGDPXKKCMZADU-XMMPIXPASA-N 2 2 401.510 4.007 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000469366561 883489823 /nfs/dbraw/zinc/48/98/23/883489823.db2.gz CDRYVVASZDNGCB-UHFFFAOYSA-N 2 2 402.542 4.165 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000469366561 883489833 /nfs/dbraw/zinc/48/98/33/883489833.db2.gz CDRYVVASZDNGCB-UHFFFAOYSA-N 2 2 402.542 4.165 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C[C@H]1n1cc[nH+]c1 ZINC000469759259 883925195 /nfs/dbraw/zinc/92/51/95/883925195.db2.gz XNFKQOIZVVMVDG-NFBKMPQASA-N 2 2 409.578 4.052 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000469771040 883944812 /nfs/dbraw/zinc/94/48/12/883944812.db2.gz XPHIISBKNZPEOP-YPGOJHLTSA-N 2 2 424.570 4.088 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000469771040 883944833 /nfs/dbraw/zinc/94/48/33/883944833.db2.gz XPHIISBKNZPEOP-YPGOJHLTSA-N 2 2 424.570 4.088 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000469866358 884055386 /nfs/dbraw/zinc/05/53/86/884055386.db2.gz PPTRAYVGHNNLOI-IOMROCGXSA-N 2 2 417.985 4.212 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1Cl ZINC000469866360 884055505 /nfs/dbraw/zinc/05/55/05/884055505.db2.gz PPTRAYVGHNNLOI-WMQCIHAUSA-N 2 2 417.985 4.212 20 0 HIADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Oc3cccc(Br)c3)cc2)CC1 ZINC000470173248 884454984 /nfs/dbraw/zinc/45/49/84/884454984.db2.gz KJUPKURQFVSEGV-UHFFFAOYSA-N 2 2 419.363 4.130 20 0 HIADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Oc3cccc(Br)c3)cc2)CC1 ZINC000470173248 884454996 /nfs/dbraw/zinc/45/49/96/884454996.db2.gz KJUPKURQFVSEGV-UHFFFAOYSA-N 2 2 419.363 4.130 20 0 HIADLP C[N@H+](CCOc1cc(Cl)cc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471170107 885727582 /nfs/dbraw/zinc/72/75/82/885727582.db2.gz RUCJTGPQJGEEFA-UHFFFAOYSA-N 2 2 408.373 4.406 20 0 HIADLP C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000471170107 885727600 /nfs/dbraw/zinc/72/76/00/885727600.db2.gz RUCJTGPQJGEEFA-UHFFFAOYSA-N 2 2 408.373 4.406 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471238757 885815320 /nfs/dbraw/zinc/81/53/20/885815320.db2.gz WNWLNJBEEFZHAG-HFRGRHLUSA-N 2 2 411.565 4.036 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471238757 885815324 /nfs/dbraw/zinc/81/53/24/885815324.db2.gz WNWLNJBEEFZHAG-HFRGRHLUSA-N 2 2 411.565 4.036 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471238757 885815325 /nfs/dbraw/zinc/81/53/25/885815325.db2.gz WNWLNJBEEFZHAG-HFRGRHLUSA-N 2 2 411.565 4.036 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)[C@H](C)C1 ZINC000471238757 885815331 /nfs/dbraw/zinc/81/53/31/885815331.db2.gz WNWLNJBEEFZHAG-HFRGRHLUSA-N 2 2 411.565 4.036 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C(F)(F)F)o1 ZINC000472002257 886827672 /nfs/dbraw/zinc/82/76/72/886827672.db2.gz LGQAADLCXYKWQP-ROUUACIJSA-N 2 2 415.500 4.016 20 0 HIADLP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C(F)(F)F)o1 ZINC000472002257 886827673 /nfs/dbraw/zinc/82/76/73/886827673.db2.gz LGQAADLCXYKWQP-ROUUACIJSA-N 2 2 415.500 4.016 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000472776175 887621706 /nfs/dbraw/zinc/62/17/06/887621706.db2.gz WKOBKPXWUGEEAQ-SCWSEQNSSA-N 2 2 408.464 4.119 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000472776175 887621712 /nfs/dbraw/zinc/62/17/12/887621712.db2.gz WKOBKPXWUGEEAQ-SCWSEQNSSA-N 2 2 408.464 4.119 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C2 ZINC000474904220 889763915 /nfs/dbraw/zinc/76/39/15/889763915.db2.gz ARAVVMXIRWQLLP-VAMGGRTRSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000474904220 889763923 /nfs/dbraw/zinc/76/39/23/889763923.db2.gz ARAVVMXIRWQLLP-VAMGGRTRSA-N 2 2 422.617 4.432 20 0 HIADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000475024820 889876560 /nfs/dbraw/zinc/87/65/60/889876560.db2.gz QBEUUFUJGXKBET-UHFFFAOYSA-N 2 2 412.484 4.290 20 0 HIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000475189360 890058684 /nfs/dbraw/zinc/05/86/84/890058684.db2.gz AHNXWQNKALVZJH-ZRCGQRJVSA-N 2 2 412.574 4.077 20 0 HIADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1OC ZINC000475189360 890058699 /nfs/dbraw/zinc/05/86/99/890058699.db2.gz AHNXWQNKALVZJH-ZRCGQRJVSA-N 2 2 412.574 4.077 20 0 HIADLP COc1ccc(CC[C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1O ZINC000475327357 890245912 /nfs/dbraw/zinc/24/59/12/890245912.db2.gz CMXYEBSVTPFMOE-NNGSBXSVSA-N 2 2 400.485 4.117 20 0 HIADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475358845 890283905 /nfs/dbraw/zinc/28/39/05/890283905.db2.gz RQZLRHYQEGRVHQ-MNNVXMFVSA-N 2 2 411.512 4.361 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)C2 ZINC000475909787 890837875 /nfs/dbraw/zinc/83/78/75/890837875.db2.gz GMNPCLOXQYMCEW-LJQANCHMSA-N 2 2 408.590 4.330 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)CC2 ZINC000475909787 890837882 /nfs/dbraw/zinc/83/78/82/890837882.db2.gz GMNPCLOXQYMCEW-LJQANCHMSA-N 2 2 408.590 4.330 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c3ccccc3)CCCC1)C2 ZINC000476040651 890972155 /nfs/dbraw/zinc/97/21/55/890972155.db2.gz JMHORQVWFABAFK-ICSRJNTNSA-N 2 2 408.590 4.418 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1([NH2+][C@@H](C)c3ccccc3)CCCC1)CC2 ZINC000476040651 890972167 /nfs/dbraw/zinc/97/21/67/890972167.db2.gz JMHORQVWFABAFK-ICSRJNTNSA-N 2 2 408.590 4.418 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000476169664 891098782 /nfs/dbraw/zinc/09/87/82/891098782.db2.gz WSOBUDHVWBQAAI-UHFFFAOYSA-N 2 2 421.994 4.182 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000476169664 891098789 /nfs/dbraw/zinc/09/87/89/891098789.db2.gz WSOBUDHVWBQAAI-UHFFFAOYSA-N 2 2 421.994 4.182 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(OCC[NH+]3CCCCC3)cc1)C2 ZINC000476368108 891276998 /nfs/dbraw/zinc/27/69/98/891276998.db2.gz UHWAHZIFVFCXDN-GOSISDBHSA-N 2 2 410.562 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(OCC[NH+]3CCCCC3)cc1)CC2 ZINC000476368108 891277026 /nfs/dbraw/zinc/27/70/26/891277026.db2.gz UHWAHZIFVFCXDN-GOSISDBHSA-N 2 2 410.562 4.141 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)C2 ZINC000476367727 891277844 /nfs/dbraw/zinc/27/78/44/891277844.db2.gz YWEFNXPUTRPZLV-PQNGQFLHSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)C2 ZINC000476367727 891277857 /nfs/dbraw/zinc/27/78/57/891277857.db2.gz YWEFNXPUTRPZLV-PQNGQFLHSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)CC2 ZINC000476367727 891277879 /nfs/dbraw/zinc/27/78/79/891277879.db2.gz YWEFNXPUTRPZLV-PQNGQFLHSA-N 2 2 420.601 4.151 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)CC2 ZINC000476367727 891277901 /nfs/dbraw/zinc/27/79/01/891277901.db2.gz YWEFNXPUTRPZLV-PQNGQFLHSA-N 2 2 420.601 4.151 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2nc3ccc(Cl)cc3n2C)C[C@H](C)O1 ZINC000478312978 893536745 /nfs/dbraw/zinc/53/67/45/893536745.db2.gz LEBBBFXLPGOFOC-IRXDYDNUSA-N 2 2 412.965 4.126 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000479424271 894736813 /nfs/dbraw/zinc/73/68/13/894736813.db2.gz MXKYUAXFZUDTFY-OAQYLSRUSA-N 2 2 423.605 4.118 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000479424271 894736824 /nfs/dbraw/zinc/73/68/24/894736824.db2.gz MXKYUAXFZUDTFY-OAQYLSRUSA-N 2 2 423.605 4.118 20 0 HIADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000479476533 894800359 /nfs/dbraw/zinc/80/03/59/894800359.db2.gz CNRBACKJMDPEGQ-CBNMVNINSA-N 2 2 421.511 4.113 20 0 HIADLP OC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1OC(F)(F)F ZINC000479534080 894839958 /nfs/dbraw/zinc/83/99/58/894839958.db2.gz VAIJEDUMQAXKNE-WERVVEIQSA-N 2 2 420.475 4.404 20 0 HIADLP OC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1OC(F)(F)F ZINC000479534080 894839960 /nfs/dbraw/zinc/83/99/60/894839960.db2.gz VAIJEDUMQAXKNE-WERVVEIQSA-N 2 2 420.475 4.404 20 0 HIADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000479572870 894865613 /nfs/dbraw/zinc/86/56/13/894865613.db2.gz HMZMSFXUBREOMQ-UHFFFAOYSA-N 2 2 421.006 4.409 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(Br)ccc1F ZINC000479904603 895251801 /nfs/dbraw/zinc/25/18/01/895251801.db2.gz TZCWHARUABVMAN-HNNXBMFYSA-N 2 2 407.327 4.271 20 0 HIADLP CC[NH+]1CCC([NH2+][C@@H](C)c2sc(Cc3ccc(OC)c(OC)c3)nc2C)CC1 ZINC000480017668 895367988 /nfs/dbraw/zinc/36/79/88/895367988.db2.gz PAMIEOZBORIAIM-HNNXBMFYSA-N 2 2 403.592 4.194 20 0 HIADLP C[C@H]([NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480202389 895601743 /nfs/dbraw/zinc/60/17/43/895601743.db2.gz XTQSUULAHPNYQP-JTSKRJEESA-N 2 2 412.965 4.454 20 0 HIADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)c1 ZINC000480244499 895654747 /nfs/dbraw/zinc/65/47/47/895654747.db2.gz HIWAIBSJZIQGHW-HXUWFJFHSA-N 2 2 420.601 4.088 20 0 HIADLP C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480265213 895674222 /nfs/dbraw/zinc/67/42/22/895674222.db2.gz MAXXNRMHEPMIBK-WZONZLPQSA-N 2 2 410.949 4.250 20 0 HIADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000480535785 895898020 /nfs/dbraw/zinc/89/80/20/895898020.db2.gz LPSKDVRUVLWBDN-UHFFFAOYSA-N 2 2 413.566 4.128 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(-c2ccccc2)o1 ZINC000480605669 895969767 /nfs/dbraw/zinc/96/97/67/895969767.db2.gz FSTGFOVUTNLPNW-LJQANCHMSA-N 2 2 403.526 4.185 20 0 HIADLP Cn1cc([C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c2ccc(F)cc2)cn1 ZINC000480657481 896026607 /nfs/dbraw/zinc/02/66/07/896026607.db2.gz HTGDKHWDFDEIHS-HKTJVKLFSA-N 2 2 404.533 4.149 20 0 HIADLP Cn1cc([C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c2ccc(F)cc2)cn1 ZINC000480657481 896026616 /nfs/dbraw/zinc/02/66/16/896026616.db2.gz HTGDKHWDFDEIHS-HKTJVKLFSA-N 2 2 404.533 4.149 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000480781187 896147068 /nfs/dbraw/zinc/14/70/68/896147068.db2.gz UHTLMFOEMYLYAU-FDDCHVKYSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000480781187 896147075 /nfs/dbraw/zinc/14/70/75/896147075.db2.gz UHTLMFOEMYLYAU-FDDCHVKYSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccccc1Br ZINC000480900073 896255970 /nfs/dbraw/zinc/25/59/70/896255970.db2.gz QIGFWUBKWNVPJW-KRWDZBQOSA-N 2 2 402.380 4.047 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1Br ZINC000480900073 896255988 /nfs/dbraw/zinc/25/59/88/896255988.db2.gz QIGFWUBKWNVPJW-KRWDZBQOSA-N 2 2 402.380 4.047 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1cc(Br)ccc1F ZINC000480914003 896272720 /nfs/dbraw/zinc/27/27/20/896272720.db2.gz UCYLKJQNHAFHAD-INIZCTEOSA-N 2 2 420.370 4.186 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc(Br)ccc1F ZINC000480914003 896272740 /nfs/dbraw/zinc/27/27/40/896272740.db2.gz UCYLKJQNHAFHAD-INIZCTEOSA-N 2 2 420.370 4.186 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1nc(-c2ccccc2)cs1 ZINC000480920812 896278621 /nfs/dbraw/zinc/27/86/21/896278621.db2.gz NJQIOXMHRJGZGV-IBGZPJMESA-N 2 2 406.599 4.408 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1nc(-c2ccccc2)cs1 ZINC000480920812 896278637 /nfs/dbraw/zinc/27/86/37/896278637.db2.gz NJQIOXMHRJGZGV-IBGZPJMESA-N 2 2 406.599 4.408 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000481178863 896518774 /nfs/dbraw/zinc/51/87/74/896518774.db2.gz XEWYKDBZVGCEQU-CROMWVBPSA-N 2 2 413.993 4.406 20 0 HIADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(Cl)cc1 ZINC000481178863 896518789 /nfs/dbraw/zinc/51/87/89/896518789.db2.gz XEWYKDBZVGCEQU-CROMWVBPSA-N 2 2 413.993 4.406 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCSc2ccccc21 ZINC000481182897 896524223 /nfs/dbraw/zinc/52/42/23/896524223.db2.gz QLSYBKZOXGBCLP-SVFBPWRDSA-N 2 2 409.599 4.014 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCSc2ccccc21 ZINC000481182897 896524240 /nfs/dbraw/zinc/52/42/40/896524240.db2.gz QLSYBKZOXGBCLP-SVFBPWRDSA-N 2 2 409.599 4.014 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000481185300 896530763 /nfs/dbraw/zinc/53/07/63/896530763.db2.gz UKCUXGLTGRJTJX-WWMYMODYSA-N 2 2 417.500 4.115 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000481185300 896530770 /nfs/dbraw/zinc/53/07/70/896530770.db2.gz UKCUXGLTGRJTJX-WWMYMODYSA-N 2 2 417.500 4.115 20 0 HIADLP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000481326265 896683613 /nfs/dbraw/zinc/68/36/13/896683613.db2.gz XBEBSDWKVZDMIP-NRFANRHFSA-N 2 2 406.448 4.195 20 0 HIADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000481395486 896802638 /nfs/dbraw/zinc/80/26/38/896802638.db2.gz BSNFSILKOXSQQP-KXBFYZLASA-N 2 2 408.384 4.020 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(-c2ccncc2)cc1 ZINC000481401315 896808268 /nfs/dbraw/zinc/80/82/68/896808268.db2.gz INVLEMMYPMTPQH-OAQYLSRUSA-N 2 2 417.553 4.310 20 0 HIADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCS2 ZINC000481407666 896813850 /nfs/dbraw/zinc/81/38/50/896813850.db2.gz SGEBWNZNQCYYNX-OAQYLSRUSA-N 2 2 418.990 4.378 20 0 HIADLP C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481542864 896902740 /nfs/dbraw/zinc/90/27/40/896902740.db2.gz DNLXGTGXFFVBRM-SFHVURJKSA-N 2 2 405.498 4.000 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000481548016 896912982 /nfs/dbraw/zinc/91/29/82/896912982.db2.gz PAZLUFHFSDUSMG-RHSMWYFYSA-N 2 2 406.313 4.270 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nnn1-c1ccc(F)cc1 ZINC000482130723 897587713 /nfs/dbraw/zinc/58/77/13/897587713.db2.gz VKFFGSMMQMMZEK-SJLPKXTDSA-N 2 2 413.566 4.339 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nnn1-c1ccc(F)cc1 ZINC000482130723 897587726 /nfs/dbraw/zinc/58/77/26/897587726.db2.gz VKFFGSMMQMMZEK-SJLPKXTDSA-N 2 2 413.566 4.339 20 0 HIADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1OC1CCCC1 ZINC000482439173 897999810 /nfs/dbraw/zinc/99/98/10/897999810.db2.gz OAEWZJHQPMTGOH-WMZHIEFXSA-N 2 2 409.574 4.412 20 0 HIADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1OC1CCCC1 ZINC000482439173 897999821 /nfs/dbraw/zinc/99/98/21/897999821.db2.gz OAEWZJHQPMTGOH-WMZHIEFXSA-N 2 2 409.574 4.412 20 0 HIADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)c2)CC1 ZINC000482553634 898145727 /nfs/dbraw/zinc/14/57/27/898145727.db2.gz JQMPSOBYAVQVOH-GJZUVCINSA-N 3 2 406.618 4.314 20 0 HIADLP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)c2)CC1 ZINC000482553634 898145740 /nfs/dbraw/zinc/14/57/40/898145740.db2.gz JQMPSOBYAVQVOH-GJZUVCINSA-N 3 2 406.618 4.314 20 0 HIADLP Cc1cccn2c(CNc3cc(NC(=O)C[N@H+]4CCCC[C@H]4C)ccc3F)c[nH+]c12 ZINC000482621936 898224389 /nfs/dbraw/zinc/22/43/89/898224389.db2.gz AWCZVEQRRJMUAV-QGZVFWFLSA-N 2 2 409.509 4.207 20 0 HIADLP Cc1cccn2c(CNc3cc(NC(=O)C[N@@H+]4CCCC[C@H]4C)ccc3F)c[nH+]c12 ZINC000482621936 898224406 /nfs/dbraw/zinc/22/44/06/898224406.db2.gz AWCZVEQRRJMUAV-QGZVFWFLSA-N 2 2 409.509 4.207 20 0 HIADLP C[C@H](c1nnc(-c2ccccc2F)s1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000482678299 898281021 /nfs/dbraw/zinc/28/10/21/898281021.db2.gz CEWSLDLRAMCJGH-BRWVUGGUSA-N 2 2 418.582 4.226 20 0 HIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)[C@@H](C)C1 ZINC000482728350 898329957 /nfs/dbraw/zinc/32/99/57/898329957.db2.gz DMDHYMKXUAHBPU-FDDCHVKYSA-N 2 2 401.526 4.240 20 0 HIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)[C@@H](C)C1 ZINC000482728350 898329967 /nfs/dbraw/zinc/32/99/67/898329967.db2.gz DMDHYMKXUAHBPU-FDDCHVKYSA-N 2 2 401.526 4.240 20 0 HIADLP Cc1c([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)nnn1-c1cccc(Cl)c1 ZINC000483117530 898807203 /nfs/dbraw/zinc/80/72/03/898807203.db2.gz JDJTXKTUZDSQTQ-AWEZNQCLSA-N 2 2 401.917 4.281 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccccc1I ZINC000483127152 898811875 /nfs/dbraw/zinc/81/18/75/898811875.db2.gz MGRRYMZOFNTWJC-AWEZNQCLSA-N 2 2 403.267 4.328 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000483137168 898817509 /nfs/dbraw/zinc/81/75/09/898817509.db2.gz TZAHJGXIEBMDLI-IAGOWNOFSA-N 2 2 404.551 4.105 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1I ZINC000483145612 898823883 /nfs/dbraw/zinc/82/38/83/898823883.db2.gz QFOCPCHFWJOTTD-CYBMUJFWSA-N 2 2 412.290 4.343 20 0 HIADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000483155274 898828841 /nfs/dbraw/zinc/82/88/41/898828841.db2.gz LGZQPBXWULOMHX-GOSISDBHSA-N 2 2 422.038 4.109 20 0 HIADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000483233249 898877138 /nfs/dbraw/zinc/87/71/38/898877138.db2.gz IRPKOFUYMOAOAG-KGLIPLIRSA-N 2 2 420.447 4.041 20 0 HIADLP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483463386 899103293 /nfs/dbraw/zinc/10/32/93/899103293.db2.gz NYXPJGOWMXVREB-SJORKVTESA-N 2 2 419.447 4.273 20 0 HIADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000483483024 899132695 /nfs/dbraw/zinc/13/26/95/899132695.db2.gz UFODCQOUKPUOSU-LSTHTHJFSA-N 2 2 410.389 4.073 20 0 HIADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000483483024 899132706 /nfs/dbraw/zinc/13/27/06/899132706.db2.gz UFODCQOUKPUOSU-LSTHTHJFSA-N 2 2 410.389 4.073 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000483483024 899132712 /nfs/dbraw/zinc/13/27/12/899132712.db2.gz UFODCQOUKPUOSU-LSTHTHJFSA-N 2 2 410.389 4.073 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000483483024 899132719 /nfs/dbraw/zinc/13/27/19/899132719.db2.gz UFODCQOUKPUOSU-LSTHTHJFSA-N 2 2 410.389 4.073 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000484081579 899716043 /nfs/dbraw/zinc/71/60/43/899716043.db2.gz QVZZDKNIRXFGGD-LJQANCHMSA-N 2 2 421.520 4.354 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000484081579 899716057 /nfs/dbraw/zinc/71/60/57/899716057.db2.gz QVZZDKNIRXFGGD-LJQANCHMSA-N 2 2 421.520 4.354 20 0 HIADLP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccccc3I)CC2)[nH+]c1 ZINC000484125833 899747350 /nfs/dbraw/zinc/74/73/50/899747350.db2.gz CHGFIUAXEYHWTK-OAHLLOKOSA-N 2 2 421.326 4.314 20 0 HIADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cs2)cs1 ZINC000484171737 899790989 /nfs/dbraw/zinc/79/09/89/899790989.db2.gz GXSXFVFRJQHNFJ-ZHRRBRCNSA-N 2 2 413.612 4.468 20 0 HIADLP Cc1nc(-c2cc([C@@H](C)[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cs2)cs1 ZINC000484171737 899790999 /nfs/dbraw/zinc/79/09/99/899790999.db2.gz GXSXFVFRJQHNFJ-ZHRRBRCNSA-N 2 2 413.612 4.468 20 0 HIADLP C[C@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccc(-n2cccn2)cc1 ZINC000484182543 899799228 /nfs/dbraw/zinc/79/92/28/899799228.db2.gz WKGSUWPHYIOVBF-SFTDATJTSA-N 2 2 404.558 4.423 20 0 HIADLP COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000484508174 899999133 /nfs/dbraw/zinc/99/91/33/899999133.db2.gz ZPLVENFKRPCRBT-OALUTQOASA-N 2 2 406.530 4.067 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1c[nH]c2ccccc21 ZINC000486156176 901343937 /nfs/dbraw/zinc/34/39/37/901343937.db2.gz JQTBHQCKDMNUOZ-WVQWTBLQSA-N 2 2 424.633 4.457 20 0 HIADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1c[nH]c2ccccc21 ZINC000486156176 901343948 /nfs/dbraw/zinc/34/39/48/901343948.db2.gz JQTBHQCKDMNUOZ-WVQWTBLQSA-N 2 2 424.633 4.457 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000488279183 902744050 /nfs/dbraw/zinc/74/40/50/902744050.db2.gz KVALWYDJQOINFH-WTNAPCKOSA-N 2 2 421.029 4.380 20 0 HIADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC000488279183 902744059 /nfs/dbraw/zinc/74/40/59/902744059.db2.gz KVALWYDJQOINFH-WTNAPCKOSA-N 2 2 421.029 4.380 20 0 HIADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CC1 ZINC000488410585 902814941 /nfs/dbraw/zinc/81/49/41/902814941.db2.gz YXSVMHNKWWWGRR-UHFFFAOYSA-N 2 2 405.892 4.351 20 0 HIADLP Cc1ccc2snc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000489146429 903231028 /nfs/dbraw/zinc/23/10/28/903231028.db2.gz GGHYUEPLSXQRPB-VQTJNVASSA-N 2 2 414.619 4.014 20 0 HIADLP Cc1ccc2snc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000489146429 903231046 /nfs/dbraw/zinc/23/10/46/903231046.db2.gz GGHYUEPLSXQRPB-VQTJNVASSA-N 2 2 414.619 4.014 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2cccc(C[NH+](C)[C@@H]3CC[N@@H+](CC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000489251737 903287712 /nfs/dbraw/zinc/28/77/12/903287712.db2.gz FXKOIGBOQHTJQZ-LIOHBJMPSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2cccc(C[NH+](C)[C@@H]3CC[N@H+](CC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000489251737 903287720 /nfs/dbraw/zinc/28/77/20/903287720.db2.gz FXKOIGBOQHTJQZ-LIOHBJMPSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C[NH+](C)[C@H]3CC[NH+](CC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000489251737 903287739 /nfs/dbraw/zinc/28/77/39/903287739.db2.gz FXKOIGBOQHTJQZ-LIOHBJMPSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C[NH+](C)[C@H]3CC[NH+](CC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000489251737 903287754 /nfs/dbraw/zinc/28/77/54/903287754.db2.gz FXKOIGBOQHTJQZ-LIOHBJMPSA-N 4 2 414.682 4.296 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000489253155 903290549 /nfs/dbraw/zinc/29/05/49/903290549.db2.gz HOHXBMYYNDMWGJ-RBUKOAKNSA-N 2 2 412.553 4.025 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000489253155 903290574 /nfs/dbraw/zinc/29/05/74/903290574.db2.gz HOHXBMYYNDMWGJ-RBUKOAKNSA-N 2 2 412.553 4.025 20 0 HIADLP CC[N@@H+](CC(=O)Nc1nc2ccc(C)cc2s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489291732 903313690 /nfs/dbraw/zinc/31/36/90/903313690.db2.gz NRKDYFMYMUJWTE-UHFFFAOYSA-N 2 2 423.586 4.177 20 0 HIADLP CC[N@H+](CC(=O)Nc1nc2ccc(C)cc2s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489291732 903313710 /nfs/dbraw/zinc/31/37/10/903313710.db2.gz NRKDYFMYMUJWTE-UHFFFAOYSA-N 2 2 423.586 4.177 20 0 HIADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489331351 903334919 /nfs/dbraw/zinc/33/49/19/903334919.db2.gz OUWMLIKDQDZRTH-FQEVSTJZSA-N 2 2 413.566 4.114 20 0 HIADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489331351 903334937 /nfs/dbraw/zinc/33/49/37/903334937.db2.gz OUWMLIKDQDZRTH-FQEVSTJZSA-N 2 2 413.566 4.114 20 0 HIADLP CC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000490437616 904011164 /nfs/dbraw/zinc/01/11/64/904011164.db2.gz URKRCJBDUKAVQU-JOCHJYFZSA-N 2 2 406.530 4.152 20 0 HIADLP CC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000490437616 904011175 /nfs/dbraw/zinc/01/11/75/904011175.db2.gz URKRCJBDUKAVQU-JOCHJYFZSA-N 2 2 406.530 4.152 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000491221839 904488734 /nfs/dbraw/zinc/48/87/34/904488734.db2.gz AISYHPKYSPCEDP-AUSIDOKSSA-N 2 2 402.542 4.152 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000491221839 904488741 /nfs/dbraw/zinc/48/87/41/904488741.db2.gz AISYHPKYSPCEDP-AUSIDOKSSA-N 2 2 402.542 4.152 20 0 HIADLP Brc1ccc(C2CC([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000493945169 905297518 /nfs/dbraw/zinc/29/75/18/905297518.db2.gz ONKOEVRREWAAQC-UHFFFAOYSA-N 2 2 415.375 4.317 20 0 HIADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n2)c1 ZINC000494421864 905707614 /nfs/dbraw/zinc/70/76/14/905707614.db2.gz AKFAQIAWSSAJOV-WJMWBRGCSA-N 2 2 402.546 4.021 20 0 HIADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2)c1 ZINC000494421864 905707634 /nfs/dbraw/zinc/70/76/34/905707634.db2.gz AKFAQIAWSSAJOV-WJMWBRGCSA-N 2 2 402.546 4.021 20 0 HIADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494426823 905714736 /nfs/dbraw/zinc/71/47/36/905714736.db2.gz QGCRZRNEEZVTBV-OAQYLSRUSA-N 2 2 401.489 4.288 20 0 HIADLP FC(F)(F)c1ccc(Cn2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cn2)cc1 ZINC000494593523 905853578 /nfs/dbraw/zinc/85/35/78/905853578.db2.gz FAKCSTLWPMXQNG-UHFFFAOYSA-N 2 2 415.463 4.104 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000495416397 906437509 /nfs/dbraw/zinc/43/75/09/906437509.db2.gz ZMYQNNAQNZJLLK-URXFXBBRSA-N 3 2 409.593 4.333 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495416397 906437514 /nfs/dbraw/zinc/43/75/14/906437514.db2.gz ZMYQNNAQNZJLLK-URXFXBBRSA-N 3 2 409.593 4.333 20 0 HIADLP CCCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(=O)Nc1cc(C)on1 ZINC000495722848 906530974 /nfs/dbraw/zinc/53/09/74/906530974.db2.gz CWVCHEYKXRSMQH-HKUYNNGSSA-N 2 2 404.580 4.044 20 0 HIADLP CCCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)Nc1cc(C)on1 ZINC000495722848 906530988 /nfs/dbraw/zinc/53/09/88/906530988.db2.gz CWVCHEYKXRSMQH-HKUYNNGSSA-N 2 2 404.580 4.044 20 0 HIADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000512663555 921280408 /nfs/dbraw/zinc/28/04/08/921280408.db2.gz NEWUGUAGELRMAD-IRXDYDNUSA-N 2 2 424.416 4.260 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500057523 909521766 /nfs/dbraw/zinc/52/17/66/909521766.db2.gz GHSGQWGKVVPKMW-SANMLTNESA-N 2 2 414.553 4.060 20 0 HIADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500057523 909521784 /nfs/dbraw/zinc/52/17/84/909521784.db2.gz GHSGQWGKVVPKMW-SANMLTNESA-N 2 2 414.553 4.060 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000501337357 910476601 /nfs/dbraw/zinc/47/66/01/910476601.db2.gz ZYSKSQYMWAJLSI-ORYQWCPZSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000501337357 910476614 /nfs/dbraw/zinc/47/66/14/910476614.db2.gz ZYSKSQYMWAJLSI-ORYQWCPZSA-N 2 2 422.564 4.004 20 0 HIADLP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH]c[nH+]1)[NH+](C)C ZINC000502094292 911031588 /nfs/dbraw/zinc/03/15/88/911031588.db2.gz CIWOCTDFYBGYET-LJQANCHMSA-N 2 2 411.377 4.264 20 0 HIADLP CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH+]c[nH]1)[NH+](C)C ZINC000502094292 911031604 /nfs/dbraw/zinc/03/16/04/911031604.db2.gz CIWOCTDFYBGYET-LJQANCHMSA-N 2 2 411.377 4.264 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000502858214 911866514 /nfs/dbraw/zinc/86/65/14/911866514.db2.gz HUYSAGVZOHCWAC-PCCBWWKXSA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000502858214 911866516 /nfs/dbraw/zinc/86/65/16/911866516.db2.gz HUYSAGVZOHCWAC-PCCBWWKXSA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000502858214 911866525 /nfs/dbraw/zinc/86/65/25/911866525.db2.gz HUYSAGVZOHCWAC-PCCBWWKXSA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000502858214 911866529 /nfs/dbraw/zinc/86/65/29/911866529.db2.gz HUYSAGVZOHCWAC-PCCBWWKXSA-N 2 2 416.610 4.072 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503070265 912038474 /nfs/dbraw/zinc/03/84/74/912038474.db2.gz AYEOIONVYFGHMK-YSGRDPCXSA-N 2 2 421.372 4.437 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503070265 912038494 /nfs/dbraw/zinc/03/84/94/912038494.db2.gz AYEOIONVYFGHMK-YSGRDPCXSA-N 2 2 421.372 4.437 20 0 HIADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503072946 912040760 /nfs/dbraw/zinc/04/07/60/912040760.db2.gz FDKSEGBSXXWYTH-QWFCFKBJSA-N 2 2 424.545 4.225 20 0 HIADLP C[C@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503072946 912040778 /nfs/dbraw/zinc/04/07/78/912040778.db2.gz FDKSEGBSXXWYTH-QWFCFKBJSA-N 2 2 424.545 4.225 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503085100 912053865 /nfs/dbraw/zinc/05/38/65/912053865.db2.gz DCCAGUKEZYMPNE-TXTKFYIRSA-N 2 2 402.542 4.060 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503085100 912053887 /nfs/dbraw/zinc/05/38/87/912053887.db2.gz DCCAGUKEZYMPNE-TXTKFYIRSA-N 2 2 402.542 4.060 20 0 HIADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccccc1Br ZINC000513345832 921728566 /nfs/dbraw/zinc/72/85/66/921728566.db2.gz OEENUCYLNHNBPS-ZDUSSCGKSA-N 2 2 409.290 4.223 20 0 HIADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475514 915077193 /nfs/dbraw/zinc/07/71/93/915077193.db2.gz XOTAVVQVOGAYKG-RBBKRZOGSA-N 2 2 409.574 4.296 20 0 HIADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475514 915077214 /nfs/dbraw/zinc/07/72/14/915077214.db2.gz XOTAVVQVOGAYKG-RBBKRZOGSA-N 2 2 409.574 4.296 20 0 HIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475514 915077233 /nfs/dbraw/zinc/07/72/33/915077233.db2.gz XOTAVVQVOGAYKG-RBBKRZOGSA-N 2 2 409.574 4.296 20 0 HIADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000506475514 915077250 /nfs/dbraw/zinc/07/72/50/915077250.db2.gz XOTAVVQVOGAYKG-RBBKRZOGSA-N 2 2 409.574 4.296 20 0 HIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000507491473 916256592 /nfs/dbraw/zinc/25/65/92/916256592.db2.gz BXSBZHMQWNDYJI-UHFFFAOYSA-N 2 2 404.904 4.395 20 0 HIADLP C[C@H](CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@H+](C)Cc1ccccc1 ZINC000507586069 916339754 /nfs/dbraw/zinc/33/97/54/916339754.db2.gz OZDPTXIVOWNFOH-IFMALSPDSA-N 2 2 423.605 4.019 20 0 HIADLP C[C@H](CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000507586069 916339777 /nfs/dbraw/zinc/33/97/77/916339777.db2.gz OZDPTXIVOWNFOH-IFMALSPDSA-N 2 2 423.605 4.019 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1)C(C)C ZINC000508567392 917341745 /nfs/dbraw/zinc/34/17/45/917341745.db2.gz IMWIPQFWVISDRS-UHFFFAOYSA-N 2 2 406.530 4.445 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1)C(C)C ZINC000508567392 917341757 /nfs/dbraw/zinc/34/17/57/917341757.db2.gz IMWIPQFWVISDRS-UHFFFAOYSA-N 2 2 406.530 4.445 20 0 HIADLP CCCCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)c1ccccc1 ZINC000508566808 917342183 /nfs/dbraw/zinc/34/21/83/917342183.db2.gz FSPOUHZJCVXFOC-HXUWFJFHSA-N 2 2 400.611 4.118 20 0 HIADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508888160 917642176 /nfs/dbraw/zinc/64/21/76/917642176.db2.gz CAQSSTHBQQEUMC-QMTRIVCPSA-N 2 2 417.557 4.102 20 0 HIADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+](C)C ZINC000508896174 917651364 /nfs/dbraw/zinc/65/13/64/917651364.db2.gz HVKBYSQADOKGIT-WMZHIEFXSA-N 2 2 423.605 4.108 20 0 HIADLP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509491608 918137280 /nfs/dbraw/zinc/13/72/80/918137280.db2.gz HVSTUPYJHRRJTK-FQEVSTJZSA-N 2 2 419.573 4.128 20 0 HIADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000509491608 918137295 /nfs/dbraw/zinc/13/72/95/918137295.db2.gz HVSTUPYJHRRJTK-FQEVSTJZSA-N 2 2 419.573 4.128 20 0 HIADLP CC[N@@H+]1CCC[C@@H](CN(C)c2c(C)c[nH+]c3c(OC)cccc32)[C@@H]1c1cnn(C)c1 ZINC000509608122 918255109 /nfs/dbraw/zinc/25/51/09/918255109.db2.gz KCYGUPIEVXXJJD-MHECFPHRSA-N 2 2 407.562 4.195 20 0 HIADLP CC[N@H+]1CCC[C@@H](CN(C)c2c(C)c[nH+]c3c(OC)cccc32)[C@@H]1c1cnn(C)c1 ZINC000509608122 918255124 /nfs/dbraw/zinc/25/51/24/918255124.db2.gz KCYGUPIEVXXJJD-MHECFPHRSA-N 2 2 407.562 4.195 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1)C1CC1 ZINC000511522856 920140712 /nfs/dbraw/zinc/14/07/12/920140712.db2.gz SYNRTOFMZUIEBC-TWGQIWQCSA-N 2 2 403.570 4.142 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1)C1CC1 ZINC000511522856 920140726 /nfs/dbraw/zinc/14/07/26/920140726.db2.gz SYNRTOFMZUIEBC-TWGQIWQCSA-N 2 2 403.570 4.142 20 0 HIADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](c2ccccc2)N2CCc3sccc3C2)s1 ZINC000512135360 920882821 /nfs/dbraw/zinc/88/28/21/920882821.db2.gz JAWPQHSLKZAFEU-HXUWFJFHSA-N 2 2 412.628 4.155 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC(F)F ZINC000512274877 921029394 /nfs/dbraw/zinc/02/93/94/921029394.db2.gz BXXZUCRMUVHZIU-QHCPKHFHSA-N 2 2 402.485 4.395 20 0 HIADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1OC(F)F ZINC000512274877 921029410 /nfs/dbraw/zinc/02/94/10/921029410.db2.gz BXXZUCRMUVHZIU-QHCPKHFHSA-N 2 2 402.485 4.395 20 0 HIADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1OC(F)F ZINC000512274877 921029424 /nfs/dbraw/zinc/02/94/24/921029424.db2.gz BXXZUCRMUVHZIU-QHCPKHFHSA-N 2 2 402.485 4.395 20 0 HIADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC(F)F ZINC000512274877 921029434 /nfs/dbraw/zinc/02/94/34/921029434.db2.gz BXXZUCRMUVHZIU-QHCPKHFHSA-N 2 2 402.485 4.395 20 0 HIADLP O[C@@H](Cn1c2ccccc2[nH+]c1NCc1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000513479104 921835323 /nfs/dbraw/zinc/83/53/23/921835323.db2.gz IHNMCHODYUREQC-HSZRJFAPSA-N 2 2 412.537 4.068 20 0 HIADLP O[C@@H](Cn1c2ccccc2[nH+]c1NCc1ccccc1)C[N@H+]1CCc2ccccc2C1 ZINC000513479104 921835333 /nfs/dbraw/zinc/83/53/33/921835333.db2.gz IHNMCHODYUREQC-HSZRJFAPSA-N 2 2 412.537 4.068 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)C2 ZINC000513910740 922234797 /nfs/dbraw/zinc/23/47/97/922234797.db2.gz FQGURPQOUWQIOP-SIKLNZKXSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)C2 ZINC000513910740 922234806 /nfs/dbraw/zinc/23/48/06/922234806.db2.gz FQGURPQOUWQIOP-SIKLNZKXSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC000513910740 922234818 /nfs/dbraw/zinc/23/48/18/922234818.db2.gz FQGURPQOUWQIOP-SIKLNZKXSA-N 2 2 408.590 4.055 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC000513910740 922234844 /nfs/dbraw/zinc/23/48/44/922234844.db2.gz FQGURPQOUWQIOP-SIKLNZKXSA-N 2 2 408.590 4.055 20 0 HIADLP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000514233271 922571135 /nfs/dbraw/zinc/57/11/35/922571135.db2.gz XSISOXXYCVADOL-HXUWFJFHSA-N 2 2 424.992 4.180 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817778 922812996 /nfs/dbraw/zinc/81/29/96/922812996.db2.gz IRQPPSTVPITJDU-MSOLQXFVSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817778 922813000 /nfs/dbraw/zinc/81/30/00/922813000.db2.gz IRQPPSTVPITJDU-MSOLQXFVSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817778 922813009 /nfs/dbraw/zinc/81/30/09/922813009.db2.gz IRQPPSTVPITJDU-MSOLQXFVSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NCc3ccccc3Cl)C2)s1 ZINC000514817778 922813014 /nfs/dbraw/zinc/81/30/14/922813014.db2.gz IRQPPSTVPITJDU-MSOLQXFVSA-N 2 2 420.022 4.169 20 0 HIADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000514893084 922835656 /nfs/dbraw/zinc/83/56/56/922835656.db2.gz BKDUEPIGNUPIEZ-UHFFFAOYSA-N 2 2 421.545 4.078 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000515561639 923179470 /nfs/dbraw/zinc/17/94/70/923179470.db2.gz JRLAPNBSQXQTNK-UHFFFAOYSA-N 2 2 409.578 4.146 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000515561639 923179480 /nfs/dbraw/zinc/17/94/80/923179480.db2.gz JRLAPNBSQXQTNK-UHFFFAOYSA-N 2 2 409.578 4.146 20 0 HIADLP C[C@H](c1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000517131593 924017399 /nfs/dbraw/zinc/01/73/99/924017399.db2.gz FQAUPBFDXLUWQC-YKSBVNFPSA-N 2 2 422.573 4.038 20 0 HIADLP CC(C)C[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000517714395 926810056 /nfs/dbraw/zinc/81/00/56/926810056.db2.gz KYZFQAXJNCZGQA-GBXCKJPGSA-N 2 2 404.558 4.427 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000517911936 926887359 /nfs/dbraw/zinc/88/73/59/926887359.db2.gz HMVAPRUNEWGWFL-FQEVSTJZSA-N 2 2 409.578 4.148 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000517911936 926887361 /nfs/dbraw/zinc/88/73/61/926887361.db2.gz HMVAPRUNEWGWFL-FQEVSTJZSA-N 2 2 409.578 4.148 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000517912039 926888392 /nfs/dbraw/zinc/88/83/92/926888392.db2.gz MIBMNMYDQMIPSZ-HXUWFJFHSA-N 2 2 409.578 4.148 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000517912039 926888399 /nfs/dbraw/zinc/88/83/99/926888399.db2.gz MIBMNMYDQMIPSZ-HXUWFJFHSA-N 2 2 409.578 4.148 20 0 HIADLP CCSc1cccc(F)c1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000518015971 926954660 /nfs/dbraw/zinc/95/46/60/926954660.db2.gz VYVGTAMIQJECKA-UHFFFAOYSA-N 2 2 408.587 4.010 20 0 HIADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518132282 927039526 /nfs/dbraw/zinc/03/95/26/927039526.db2.gz UIDCGROPRPXZHD-IBGZPJMESA-N 2 2 408.521 4.053 20 0 HIADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518132282 927039541 /nfs/dbraw/zinc/03/95/41/927039541.db2.gz UIDCGROPRPXZHD-IBGZPJMESA-N 2 2 408.521 4.053 20 0 HIADLP CCCc1ccc([C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000519206878 927828559 /nfs/dbraw/zinc/82/85/59/927828559.db2.gz CXBQXCUCZZPQLW-QHCPKHFHSA-N 2 2 402.627 4.004 20 0 HIADLP CCCc1ccc([C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000519206878 927828567 /nfs/dbraw/zinc/82/85/67/927828567.db2.gz CXBQXCUCZZPQLW-QHCPKHFHSA-N 2 2 402.627 4.004 20 0 HIADLP CC(C)Cc1ccc([C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C2CC2)cc1 ZINC000519211744 927830014 /nfs/dbraw/zinc/83/00/14/927830014.db2.gz FXKPQOFMIYKUQQ-XMMPIXPASA-N 2 2 414.638 4.004 20 0 HIADLP CC(C)Cc1ccc([C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C2CC2)cc1 ZINC000519211744 927830017 /nfs/dbraw/zinc/83/00/17/927830017.db2.gz FXKPQOFMIYKUQQ-XMMPIXPASA-N 2 2 414.638 4.004 20 0 HIADLP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000519228490 927836426 /nfs/dbraw/zinc/83/64/26/927836426.db2.gz NKQOFSGAKUTDLP-MRXNPFEDSA-N 2 2 410.400 4.220 20 0 HIADLP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Br)CC1 ZINC000519228490 927836433 /nfs/dbraw/zinc/83/64/33/927836433.db2.gz NKQOFSGAKUTDLP-MRXNPFEDSA-N 2 2 410.400 4.220 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C ZINC000520196500 928382285 /nfs/dbraw/zinc/38/22/85/928382285.db2.gz LPJKTJSKBMKFOB-QHCPKHFHSA-N 2 2 424.589 4.322 20 0 HIADLP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000520207695 928389867 /nfs/dbraw/zinc/38/98/67/928389867.db2.gz HZHAEQZFKOHLAF-DEOSSOPVSA-N 2 2 404.558 4.258 20 0 HIADLP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000520207695 928389879 /nfs/dbraw/zinc/38/98/79/928389879.db2.gz HZHAEQZFKOHLAF-DEOSSOPVSA-N 2 2 404.558 4.258 20 0 HIADLP Cc1ccc([C@H](CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)[NH+](C)C)cc1 ZINC000520830067 928836237 /nfs/dbraw/zinc/83/62/37/928836237.db2.gz JTKWRIWZLWCXNL-XLIONFOSSA-N 2 2 415.607 4.108 20 0 HIADLP Cc1ccc([C@H](CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)[NH+](C)C)cc1 ZINC000520830067 928836238 /nfs/dbraw/zinc/83/62/38/928836238.db2.gz JTKWRIWZLWCXNL-XLIONFOSSA-N 2 2 415.607 4.108 20 0 HIADLP C[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCC1)c1ccccc1 ZINC000521374663 929191473 /nfs/dbraw/zinc/19/14/73/929191473.db2.gz DFQMFCSZQUCTFA-OAQYLSRUSA-N 2 2 416.569 4.254 20 0 HIADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000524635044 929744838 /nfs/dbraw/zinc/74/48/38/929744838.db2.gz ZLNUUXYCOZVAAJ-WOJBJXKFSA-N 2 2 424.589 4.331 20 0 HIADLP CC[C@@H](C)Sc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000524858475 929861236 /nfs/dbraw/zinc/86/12/36/929861236.db2.gz KSLPOAZKFUBKEW-GOSISDBHSA-N 2 2 406.640 4.375 20 0 HIADLP CC[C@@H](C)Sc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000524858475 929861237 /nfs/dbraw/zinc/86/12/37/929861237.db2.gz KSLPOAZKFUBKEW-GOSISDBHSA-N 2 2 406.640 4.375 20 0 HIADLP COc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc(OC)c1OCc1ccccc1 ZINC000525695461 930407334 /nfs/dbraw/zinc/40/73/34/930407334.db2.gz GSRSDOCFYOJSDI-NRFANRHFSA-N 2 2 421.541 4.455 20 0 HIADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000530572167 930754223 /nfs/dbraw/zinc/75/42/23/930754223.db2.gz NXUWBSASOMONCU-UHFFFAOYSA-N 2 2 417.553 4.398 20 0 HIADLP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000530727380 930809180 /nfs/dbraw/zinc/80/91/80/930809180.db2.gz WEJLXUWFLBBALL-UHFFFAOYSA-N 2 2 415.541 4.445 20 0 HIADLP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000531054211 930899295 /nfs/dbraw/zinc/89/92/95/930899295.db2.gz UCHNGPQUKSTOJQ-UHFFFAOYSA-N 2 2 420.384 4.449 20 0 HIADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000531347208 931025642 /nfs/dbraw/zinc/02/56/42/931025642.db2.gz POLWONGWFUJFEU-UHFFFAOYSA-N 2 2 419.013 4.181 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000531651976 931140382 /nfs/dbraw/zinc/14/03/82/931140382.db2.gz JROPDVJVEDDJCT-JXFKEZNVSA-N 2 2 410.389 4.075 20 0 HIADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000531651976 931140387 /nfs/dbraw/zinc/14/03/87/931140387.db2.gz JROPDVJVEDDJCT-JXFKEZNVSA-N 2 2 410.389 4.075 20 0 HIADLP CSCC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)c1nnc2ccccn21 ZINC000531690406 931155148 /nfs/dbraw/zinc/15/51/48/931155148.db2.gz KLLPYVIAEBFMJD-OXJNMPFZSA-N 2 2 406.559 4.368 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000531695382 931158889 /nfs/dbraw/zinc/15/88/89/931158889.db2.gz PVKMWUWVKHNIJI-UXHICEINSA-N 3 2 404.558 4.252 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000531695382 931158894 /nfs/dbraw/zinc/15/88/94/931158894.db2.gz PVKMWUWVKHNIJI-UXHICEINSA-N 3 2 404.558 4.252 20 0 HIADLP C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000531737722 931179310 /nfs/dbraw/zinc/17/93/10/931179310.db2.gz JSPINIVLKNFGIU-FQEVSTJZSA-N 2 2 402.542 4.004 20 0 HIADLP O=C(c1ccccc1Cl)N1CCC([NH2+]CCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000531946518 931258970 /nfs/dbraw/zinc/25/89/70/931258970.db2.gz DNJWBFHABFFNNT-UHFFFAOYSA-N 2 2 422.960 4.022 20 0 HIADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1sccc1Br ZINC000531965608 931268117 /nfs/dbraw/zinc/26/81/17/931268117.db2.gz FBBAZDYNXWETSN-MAUKXSAKSA-N 2 2 408.409 4.150 20 0 HIADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1sccc1Br ZINC000531965607 931268648 /nfs/dbraw/zinc/26/86/48/931268648.db2.gz FBBAZDYNXWETSN-CRAIPNDOSA-N 2 2 408.409 4.150 20 0 HIADLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000532231333 931364293 /nfs/dbraw/zinc/36/42/93/931364293.db2.gz OGQCAFOPAAPCCW-SFHVURJKSA-N 2 2 411.571 4.294 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000533025462 931743666 /nfs/dbraw/zinc/74/36/66/931743666.db2.gz NFJCMKGRZIBRBN-GOSISDBHSA-N 2 2 421.570 4.235 20 0 HIADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000533187751 931804633 /nfs/dbraw/zinc/80/46/33/931804633.db2.gz KPOPBEKZQCEFIB-KBXCAEBGSA-N 2 2 411.493 4.039 20 0 HIADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000533187751 931804635 /nfs/dbraw/zinc/80/46/35/931804635.db2.gz KPOPBEKZQCEFIB-KBXCAEBGSA-N 2 2 411.493 4.039 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533289590 931829300 /nfs/dbraw/zinc/82/93/00/931829300.db2.gz RIDDLDQYZQTYMU-ZJSXRUAMSA-N 2 2 405.586 4.231 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000533289590 931829303 /nfs/dbraw/zinc/82/93/03/931829303.db2.gz RIDDLDQYZQTYMU-ZJSXRUAMSA-N 2 2 405.586 4.231 20 0 HIADLP CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395373 931856669 /nfs/dbraw/zinc/85/66/69/931856669.db2.gz UECGGOFUILLLHB-FQEVSTJZSA-N 2 2 423.605 4.077 20 0 HIADLP CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395373 931856672 /nfs/dbraw/zinc/85/66/72/931856672.db2.gz UECGGOFUILLLHB-FQEVSTJZSA-N 2 2 423.605 4.077 20 0 HIADLP CC[N@H+](Cc1nnc(-c2ccccc2)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532275 931896170 /nfs/dbraw/zinc/89/61/70/931896170.db2.gz YEJIKNQHUWBLHP-UHFFFAOYSA-N 2 2 420.561 4.449 20 0 HIADLP CC[N@@H+](Cc1nnc(-c2ccccc2)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533532275 931896171 /nfs/dbraw/zinc/89/61/71/931896171.db2.gz YEJIKNQHUWBLHP-UHFFFAOYSA-N 2 2 420.561 4.449 20 0 HIADLP CC(C)COc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647452 931943238 /nfs/dbraw/zinc/94/32/38/931943238.db2.gz ACCHMMFQHFDSOI-RPWUZVMVSA-N 2 2 415.622 4.131 20 0 HIADLP CC(C)COc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533647452 931943245 /nfs/dbraw/zinc/94/32/45/931943245.db2.gz ACCHMMFQHFDSOI-RPWUZVMVSA-N 2 2 415.622 4.131 20 0 HIADLP CCSc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000533785637 932032958 /nfs/dbraw/zinc/03/29/58/932032958.db2.gz JOYPXJYIPJGBAJ-LJQANCHMSA-N 2 2 400.588 4.360 20 0 HIADLP CC(C)(C)CC[NH+]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000533879167 932077039 /nfs/dbraw/zinc/07/70/39/932077039.db2.gz IIWIFHKPDCDHEM-UHFFFAOYSA-N 2 2 407.562 4.188 20 0 HIADLP COc1ccc([C@H]2CCCCCN2C(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534128571 932293134 /nfs/dbraw/zinc/29/31/34/932293134.db2.gz LWHDHNBIYBZGFU-HSZRJFAPSA-N 2 2 422.573 4.110 20 0 HIADLP CCOc1cc(F)ccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534195750 932325770 /nfs/dbraw/zinc/32/57/70/932325770.db2.gz QOGRWYAWKIJIGB-LEWJYISDSA-N 2 2 420.573 4.025 20 0 HIADLP CCOc1cc(F)ccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534195750 932325773 /nfs/dbraw/zinc/32/57/73/932325773.db2.gz QOGRWYAWKIJIGB-LEWJYISDSA-N 2 2 420.573 4.025 20 0 HIADLP CN(C(=O)C/C=C\c1ccccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359317 932393273 /nfs/dbraw/zinc/39/32/73/932393273.db2.gz IANXRGCDIYGYKB-UNDOPJFXSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)C/C=C\c1ccccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359317 932393282 /nfs/dbraw/zinc/39/32/82/932393282.db2.gz IANXRGCDIYGYKB-UNDOPJFXSA-N 2 2 401.570 4.025 20 0 HIADLP Cc1ccsc1CCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534360676 932394055 /nfs/dbraw/zinc/39/40/55/932394055.db2.gz OTXLYGYEJBVILG-SFTDATJTSA-N 2 2 405.652 4.175 20 0 HIADLP Cc1ccsc1CCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534360676 932394066 /nfs/dbraw/zinc/39/40/66/932394066.db2.gz OTXLYGYEJBVILG-SFTDATJTSA-N 2 2 405.652 4.175 20 0 HIADLP CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361237 932395018 /nfs/dbraw/zinc/39/50/18/932395018.db2.gz WAUIOFDJGDNPQM-WOJBJXKFSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361237 932395022 /nfs/dbraw/zinc/39/50/22/932395022.db2.gz WAUIOFDJGDNPQM-WOJBJXKFSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)NCC(C)(C)c1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375430 932403920 /nfs/dbraw/zinc/40/39/20/932403920.db2.gz YWLGSFHYWROUES-WOJBJXKFSA-N 2 2 420.667 4.004 20 0 HIADLP CN(C(=O)NCC(C)(C)c1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375430 932403931 /nfs/dbraw/zinc/40/39/31/932403931.db2.gz YWLGSFHYWROUES-WOJBJXKFSA-N 2 2 420.667 4.004 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534929798 932843542 /nfs/dbraw/zinc/84/35/42/932843542.db2.gz DVFVCZPZWNGIGG-VQTJNVASSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534929798 932843545 /nfs/dbraw/zinc/84/35/45/932843545.db2.gz DVFVCZPZWNGIGG-VQTJNVASSA-N 2 2 410.965 4.280 20 0 HIADLP Cc1cn2cc(NC(=O)N3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)ccc2[nH+]1 ZINC000534966956 932865607 /nfs/dbraw/zinc/86/56/07/932865607.db2.gz PRSPAKIILZTFIA-UHFFFAOYSA-N 2 2 403.530 4.163 20 0 HIADLP Cc1cn2cc(NC(=O)N3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)ccc2[nH+]1 ZINC000534966956 932865609 /nfs/dbraw/zinc/86/56/09/932865609.db2.gz PRSPAKIILZTFIA-UHFFFAOYSA-N 2 2 403.530 4.163 20 0 HIADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000534968750 932867267 /nfs/dbraw/zinc/86/72/67/932867267.db2.gz WYYVFTCRURDDLL-UHFFFAOYSA-N 2 2 416.569 4.457 20 0 HIADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000534968750 932867270 /nfs/dbraw/zinc/86/72/70/932867270.db2.gz WYYVFTCRURDDLL-UHFFFAOYSA-N 2 2 416.569 4.457 20 0 HIADLP CN(C(=O)CCCc1c[nH]c2ccccc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535093739 932907540 /nfs/dbraw/zinc/90/75/40/932907540.db2.gz DNXRGQBIUTYSBK-DQEYMECFSA-N 2 2 424.633 4.286 20 0 HIADLP CN(C(=O)CCCc1c[nH]c2ccccc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535093739 932907548 /nfs/dbraw/zinc/90/75/48/932907548.db2.gz DNXRGQBIUTYSBK-DQEYMECFSA-N 2 2 424.633 4.286 20 0 HIADLP CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535095909 932910827 /nfs/dbraw/zinc/91/08/27/932910827.db2.gz LKXDEXQTOQZNFN-YADHBBJMSA-N 2 2 416.997 4.231 20 0 HIADLP CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535095909 932910839 /nfs/dbraw/zinc/91/08/39/932910839.db2.gz LKXDEXQTOQZNFN-YADHBBJMSA-N 2 2 416.997 4.231 20 0 HIADLP Cc1nc(-c2ccccc2)oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535849677 933432738 /nfs/dbraw/zinc/43/27/38/933432738.db2.gz MBIVUGPZLIXUHD-VXKWHMMOSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1nc(-c2ccccc2)oc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535849677 933432754 /nfs/dbraw/zinc/43/27/54/933432754.db2.gz MBIVUGPZLIXUHD-VXKWHMMOSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1ccc2c(CC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)coc2c1 ZINC000535853697 933438043 /nfs/dbraw/zinc/43/80/43/933438043.db2.gz DBNMLAIIMSIFAC-XZOQPEGZSA-N 2 2 411.590 4.079 20 0 HIADLP Cc1ccc2c(CC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)coc2c1 ZINC000535853697 933438048 /nfs/dbraw/zinc/43/80/48/933438048.db2.gz DBNMLAIIMSIFAC-XZOQPEGZSA-N 2 2 411.590 4.079 20 0 HIADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000535878192 933459419 /nfs/dbraw/zinc/45/94/19/933459419.db2.gz SYSICKDYRBCLBR-KMDXXIMOSA-N 2 2 414.638 4.425 20 0 HIADLP CC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000535878192 933459428 /nfs/dbraw/zinc/45/94/28/933459428.db2.gz SYSICKDYRBCLBR-KMDXXIMOSA-N 2 2 414.638 4.425 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000537621304 938336443 /nfs/dbraw/zinc/33/64/43/938336443.db2.gz HNYJDBKJDKOPHW-FXAWDEMLSA-N 2 2 410.587 4.014 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000537621304 938336448 /nfs/dbraw/zinc/33/64/48/938336448.db2.gz HNYJDBKJDKOPHW-FXAWDEMLSA-N 2 2 410.587 4.014 20 0 HIADLP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000537628943 938340044 /nfs/dbraw/zinc/34/00/44/938340044.db2.gz MVDJYDGYEFIHOO-PGRDOPGGSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@H]1C[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000537628943 938340051 /nfs/dbraw/zinc/34/00/51/938340051.db2.gz MVDJYDGYEFIHOO-PGRDOPGGSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@H]1C[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000537628943 938340055 /nfs/dbraw/zinc/34/00/55/938340055.db2.gz MVDJYDGYEFIHOO-PGRDOPGGSA-N 2 2 418.541 4.290 20 0 HIADLP C[C@H]1C[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC[NH+]1Cc1ccccc1 ZINC000537628943 938340060 /nfs/dbraw/zinc/34/00/60/938340060.db2.gz MVDJYDGYEFIHOO-PGRDOPGGSA-N 2 2 418.541 4.290 20 0 HIADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCC ZINC000537660928 938348898 /nfs/dbraw/zinc/34/88/98/938348898.db2.gz JPFANGKLGGKRIW-FQEVSTJZSA-N 2 2 424.029 4.128 20 0 HIADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OCC ZINC000537660928 938348901 /nfs/dbraw/zinc/34/89/01/938348901.db2.gz JPFANGKLGGKRIW-FQEVSTJZSA-N 2 2 424.029 4.128 20 0 HIADLP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000537670235 938350542 /nfs/dbraw/zinc/35/05/42/938350542.db2.gz NSHYMYRKICGFIE-REWPJTCUSA-N 2 2 409.578 4.273 20 0 HIADLP COCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000537695303 938356948 /nfs/dbraw/zinc/35/69/48/938356948.db2.gz JNUQDQZYJQJJDW-ZEQRLZLVSA-N 2 2 424.585 4.207 20 0 HIADLP COCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000537695303 938356952 /nfs/dbraw/zinc/35/69/52/938356952.db2.gz JNUQDQZYJQJJDW-ZEQRLZLVSA-N 2 2 424.585 4.207 20 0 HIADLP COCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC000537695303 938356954 /nfs/dbraw/zinc/35/69/54/938356954.db2.gz JNUQDQZYJQJJDW-ZEQRLZLVSA-N 2 2 424.585 4.207 20 0 HIADLP COCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1OC ZINC000537695303 938356958 /nfs/dbraw/zinc/35/69/58/938356958.db2.gz JNUQDQZYJQJJDW-ZEQRLZLVSA-N 2 2 424.585 4.207 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000537698263 938357836 /nfs/dbraw/zinc/35/78/36/938357836.db2.gz VDLINKUJAVBIHN-VGOFRKELSA-N 2 2 400.517 4.216 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000537698263 938357840 /nfs/dbraw/zinc/35/78/40/938357840.db2.gz VDLINKUJAVBIHN-VGOFRKELSA-N 2 2 400.517 4.216 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000537698263 938357844 /nfs/dbraw/zinc/35/78/44/938357844.db2.gz VDLINKUJAVBIHN-VGOFRKELSA-N 2 2 400.517 4.216 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000537698263 938357849 /nfs/dbraw/zinc/35/78/49/938357849.db2.gz VDLINKUJAVBIHN-VGOFRKELSA-N 2 2 400.517 4.216 20 0 HIADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000537938858 938423806 /nfs/dbraw/zinc/42/38/06/938423806.db2.gz UPLGNMGSJKTLCL-WDJPJFJCSA-N 2 2 400.530 4.491 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538053805 938486813 /nfs/dbraw/zinc/48/68/13/938486813.db2.gz DSIKQFWOYNEWSJ-NHCUHLMSSA-N 2 2 424.992 4.034 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538053805 938486832 /nfs/dbraw/zinc/48/68/32/938486832.db2.gz DSIKQFWOYNEWSJ-NHCUHLMSSA-N 2 2 424.992 4.034 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(-c2ccccc2)s1 ZINC000538305425 938588223 /nfs/dbraw/zinc/58/82/23/938588223.db2.gz QVTCVSDEMBTYTK-UHFFFAOYSA-N 3 2 412.647 4.438 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(-c2ccccc2)s1 ZINC000538305425 938588226 /nfs/dbraw/zinc/58/82/26/938588226.db2.gz QVTCVSDEMBTYTK-UHFFFAOYSA-N 3 2 412.647 4.438 20 0 HIADLP CCCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000538338840 938596990 /nfs/dbraw/zinc/59/69/90/938596990.db2.gz FXNKBWZFTXXIJY-DHIUTWEWSA-N 2 2 400.611 4.440 20 0 HIADLP CCCc1ccccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000538338840 938596992 /nfs/dbraw/zinc/59/69/92/938596992.db2.gz FXNKBWZFTXXIJY-DHIUTWEWSA-N 2 2 400.611 4.440 20 0 HIADLP O=C1[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538465526 938628439 /nfs/dbraw/zinc/62/84/39/938628439.db2.gz DBRUOOUVKSMFTQ-NHCUHLMSSA-N 2 2 423.523 4.147 20 0 HIADLP O=C1[C@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000538465526 938628441 /nfs/dbraw/zinc/62/84/41/938628441.db2.gz DBRUOOUVKSMFTQ-NHCUHLMSSA-N 2 2 423.523 4.147 20 0 HIADLP CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)cc2)CC1 ZINC000538539807 938644723 /nfs/dbraw/zinc/64/47/23/938644723.db2.gz ZIWBOSNJOUVUPO-HXUWFJFHSA-N 2 2 403.574 4.491 20 0 HIADLP COc1cc(OC)c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1Cl ZINC000538558234 938648879 /nfs/dbraw/zinc/64/88/79/938648879.db2.gz SVMGLGAAUAAVPY-ZBFHGGJFSA-N 2 2 404.942 4.066 20 0 HIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000538588214 938656566 /nfs/dbraw/zinc/65/65/66/938656566.db2.gz MXHHEZROLCEQKO-INIZCTEOSA-N 2 2 407.562 4.015 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(OC(F)F)c(F)c1 ZINC000538723181 938691811 /nfs/dbraw/zinc/69/18/11/938691811.db2.gz NTDXAJBVTJDNSU-UHFFFAOYSA-N 3 2 413.528 4.055 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(OC(F)F)c(F)c1 ZINC000538723181 938691812 /nfs/dbraw/zinc/69/18/12/938691812.db2.gz NTDXAJBVTJDNSU-UHFFFAOYSA-N 3 2 413.528 4.055 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000539040349 938778385 /nfs/dbraw/zinc/77/83/85/938778385.db2.gz PBCIKXAQOUHUHL-FOIQADDNSA-N 2 2 406.343 4.026 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000539040349 938778388 /nfs/dbraw/zinc/77/83/88/938778388.db2.gz PBCIKXAQOUHUHL-FOIQADDNSA-N 2 2 406.343 4.026 20 0 HIADLP C[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](CCc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539046628 938782094 /nfs/dbraw/zinc/78/20/94/938782094.db2.gz KLDDKKLSAFBDFD-DPLHUUCSSA-N 2 2 415.984 4.379 20 0 HIADLP C[N@H+]1CC[C@H](CN[C@H]2CC[NH+](CCc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539046628 938782097 /nfs/dbraw/zinc/78/20/97/938782097.db2.gz KLDDKKLSAFBDFD-DPLHUUCSSA-N 2 2 415.984 4.379 20 0 HIADLP C[NH+]1CC[C@H](CN[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539046628 938782102 /nfs/dbraw/zinc/78/21/02/938782102.db2.gz KLDDKKLSAFBDFD-DPLHUUCSSA-N 2 2 415.984 4.379 20 0 HIADLP C[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539046628 938782106 /nfs/dbraw/zinc/78/21/06/938782106.db2.gz KLDDKKLSAFBDFD-DPLHUUCSSA-N 2 2 415.984 4.379 20 0 HIADLP C[C@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000539077381 938796297 /nfs/dbraw/zinc/79/62/97/938796297.db2.gz LRANIAQCCPBLDU-MBSDFSHPSA-N 2 2 410.949 4.250 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128278 938807622 /nfs/dbraw/zinc/80/76/22/938807622.db2.gz QMBAIBWYYYCRJB-RTWAWAEBSA-N 2 2 403.929 4.106 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539128278 938807623 /nfs/dbraw/zinc/80/76/23/938807623.db2.gz QMBAIBWYYYCRJB-RTWAWAEBSA-N 2 2 403.929 4.106 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000539394759 938854003 /nfs/dbraw/zinc/85/40/03/938854003.db2.gz ZDWDHAXQGIAQNM-SDUSCBPUSA-N 3 2 419.613 4.475 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000539394759 938854004 /nfs/dbraw/zinc/85/40/04/938854004.db2.gz ZDWDHAXQGIAQNM-SDUSCBPUSA-N 3 2 419.613 4.475 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4ccc(OC(F)(F)F)cc43)[nH+]c2)C1 ZINC000539661615 938896347 /nfs/dbraw/zinc/89/63/47/938896347.db2.gz YYSVQQMSAACUHJ-QFBILLFUSA-N 2 2 406.452 4.220 20 0 HIADLP CC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539820005 938943618 /nfs/dbraw/zinc/94/36/18/938943618.db2.gz XEXHDRHKWXMTPT-UHFFFAOYSA-N 2 2 403.530 4.402 20 0 HIADLP CC[N@H+](Cc1ccc(Oc2cnccn2)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539820005 938943623 /nfs/dbraw/zinc/94/36/23/938943623.db2.gz XEXHDRHKWXMTPT-UHFFFAOYSA-N 2 2 403.530 4.402 20 0 HIADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539822789 938944899 /nfs/dbraw/zinc/94/48/99/938944899.db2.gz MNGRYRKYQVFSRH-XMSQKQJNSA-N 2 2 406.014 4.119 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539822789 938944901 /nfs/dbraw/zinc/94/49/01/938944901.db2.gz MNGRYRKYQVFSRH-XMSQKQJNSA-N 2 2 406.014 4.119 20 0 HIADLP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(SC)cc1OC ZINC000539827969 938948977 /nfs/dbraw/zinc/94/89/77/938948977.db2.gz WEIPVZTUQLEXCY-IBGZPJMESA-N 2 2 400.588 4.380 20 0 HIADLP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(SC)cc1OC ZINC000539827969 938948979 /nfs/dbraw/zinc/94/89/79/938948979.db2.gz WEIPVZTUQLEXCY-IBGZPJMESA-N 2 2 400.588 4.380 20 0 HIADLP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(SC)cc1OC ZINC000539827969 938948983 /nfs/dbraw/zinc/94/89/83/938948983.db2.gz WEIPVZTUQLEXCY-IBGZPJMESA-N 2 2 400.588 4.380 20 0 HIADLP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(SC)cc1OC ZINC000539827969 938948985 /nfs/dbraw/zinc/94/89/85/938948985.db2.gz WEIPVZTUQLEXCY-IBGZPJMESA-N 2 2 400.588 4.380 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000563613852 945226300 /nfs/dbraw/zinc/22/63/00/945226300.db2.gz XJOIXRPJNJUTSP-NZQKXSOJSA-N 2 2 408.590 4.435 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000563613852 945226317 /nfs/dbraw/zinc/22/63/17/945226317.db2.gz XJOIXRPJNJUTSP-NZQKXSOJSA-N 2 2 408.590 4.435 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000563613840 945226997 /nfs/dbraw/zinc/22/69/97/945226997.db2.gz XJOIXRPJNJUTSP-NFBKMPQASA-N 2 2 408.590 4.435 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000563613840 945227005 /nfs/dbraw/zinc/22/70/05/945227005.db2.gz XJOIXRPJNJUTSP-NFBKMPQASA-N 2 2 408.590 4.435 20 0 HIADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C[C@@H](C)O1 ZINC000540244822 939163789 /nfs/dbraw/zinc/16/37/89/939163789.db2.gz GQFBYBODOVECRQ-HZPDHXFCSA-N 2 2 401.378 4.084 20 0 HIADLP CC(C)[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc2ccccc2o1 ZINC000540651213 939331000 /nfs/dbraw/zinc/33/10/00/939331000.db2.gz PERSZLZDAIBKHB-XMMPIXPASA-N 2 2 405.542 4.307 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cc2ccccc2o1 ZINC000541202888 939485350 /nfs/dbraw/zinc/48/53/50/939485350.db2.gz PHYFJTGXOMNDOU-OALUTQOASA-N 2 2 408.546 4.387 20 0 HIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541395233 939504608 /nfs/dbraw/zinc/50/46/08/939504608.db2.gz AJDMVHMIDWEMCD-OIBXWCBGSA-N 2 2 420.601 4.445 20 0 HIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541395233 939504609 /nfs/dbraw/zinc/50/46/09/939504609.db2.gz AJDMVHMIDWEMCD-OIBXWCBGSA-N 2 2 420.601 4.445 20 0 HIADLP CC1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000541585383 939560698 /nfs/dbraw/zinc/56/06/98/939560698.db2.gz HXSSGGNEDDRQMX-UHFFFAOYSA-N 2 2 412.603 4.370 20 0 HIADLP Cc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)n2)cc1 ZINC000541599451 939563791 /nfs/dbraw/zinc/56/37/91/939563791.db2.gz MVWYSJGVAACAMJ-PKOBYXMFSA-N 2 2 412.603 4.300 20 0 HIADLP Cc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)cc1 ZINC000541599451 939563793 /nfs/dbraw/zinc/56/37/93/939563793.db2.gz MVWYSJGVAACAMJ-PKOBYXMFSA-N 2 2 412.603 4.300 20 0 HIADLP O=C(NCc1ccco1)c1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000542133484 939724108 /nfs/dbraw/zinc/72/41/08/939724108.db2.gz UUPVHFLOHDGBAO-UHFFFAOYSA-N 2 2 406.530 4.099 20 0 HIADLP c1cn(CCCC2CC[NH+](Cc3csc(-c4ccc5c(c4)OCO5)n3)CC2)c[nH+]1 ZINC000542132401 939724628 /nfs/dbraw/zinc/72/46/28/939724628.db2.gz ZTDKOWZGDWNEMW-UHFFFAOYSA-N 2 2 410.543 4.428 20 0 HIADLP O=C1[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCN1c1ccccc1Cl ZINC000542135301 939725222 /nfs/dbraw/zinc/72/52/22/939725222.db2.gz SOWZIHSTOHUNNR-NRFANRHFSA-N 2 2 400.954 4.224 20 0 HIADLP CN(C(=O)c1ccccc1C(F)(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178499 939746099 /nfs/dbraw/zinc/74/60/99/939746099.db2.gz DKWITQSPUPFYSM-VQTJNVASSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1ccccc1C(F)(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178499 939746103 /nfs/dbraw/zinc/74/61/03/939746103.db2.gz DKWITQSPUPFYSM-VQTJNVASSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1ccccc1C(F)(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178496 939746177 /nfs/dbraw/zinc/74/61/77/939746177.db2.gz DKWITQSPUPFYSM-UXHICEINSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1ccccc1C(F)(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178496 939746182 /nfs/dbraw/zinc/74/61/82/939746182.db2.gz DKWITQSPUPFYSM-UXHICEINSA-N 2 2 411.512 4.115 20 0 HIADLP Clc1ccc(-n2cc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)nn2)cc1Cl ZINC000542323086 939800339 /nfs/dbraw/zinc/80/03/39/939800339.db2.gz ZNIRNJUSRZAZQQ-UHFFFAOYSA-N 2 2 416.356 4.460 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542530394 939838278 /nfs/dbraw/zinc/83/82/78/939838278.db2.gz FECYKIVDEBDYGD-WBVHZDCISA-N 2 2 416.566 4.130 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542530394 939838280 /nfs/dbraw/zinc/83/82/80/939838280.db2.gz FECYKIVDEBDYGD-WBVHZDCISA-N 2 2 416.566 4.130 20 0 HIADLP CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542936198 939881746 /nfs/dbraw/zinc/88/17/46/939881746.db2.gz MIXTXFLXFRQONW-PZJWPPBQSA-N 2 2 420.479 4.123 20 0 HIADLP CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542936198 939881747 /nfs/dbraw/zinc/88/17/47/939881747.db2.gz MIXTXFLXFRQONW-PZJWPPBQSA-N 2 2 420.479 4.123 20 0 HIADLP CC[NH+](CC)CCCC1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000543026741 939898045 /nfs/dbraw/zinc/89/80/45/939898045.db2.gz KSZUGTFUJASPNP-UHFFFAOYSA-N 2 2 416.635 4.237 20 0 HIADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543038513 939901648 /nfs/dbraw/zinc/90/16/48/939901648.db2.gz HTUGXJHMFAFMPA-UHFFFAOYSA-N 2 2 411.594 4.127 20 0 HIADLP Brc1ccc(C2([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CCOCC2)cc1 ZINC000543231713 940002543 /nfs/dbraw/zinc/00/25/43/940002543.db2.gz GXDBEDSWABEBSY-UHFFFAOYSA-N 2 2 418.360 4.492 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](c3ccccc3)c3ccc(F)cn3)[nH+]c2)CC1 ZINC000543429507 940061761 /nfs/dbraw/zinc/06/17/61/940061761.db2.gz LVXNKWRMECOZBT-DEOSSOPVSA-N 2 2 405.521 4.348 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460213 940070343 /nfs/dbraw/zinc/07/03/43/940070343.db2.gz JFWCYPXOSKLXJJ-GJZGRUSLSA-N 2 2 404.605 4.053 20 0 HIADLP C[C@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460213 940070344 /nfs/dbraw/zinc/07/03/44/940070344.db2.gz JFWCYPXOSKLXJJ-GJZGRUSLSA-N 2 2 404.605 4.053 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccc(F)cc1 ZINC000544196014 940350216 /nfs/dbraw/zinc/35/02/16/940350216.db2.gz VMBWZQNRVSVZTR-UGKGYDQZSA-N 2 2 412.553 4.051 20 0 HIADLP C[C@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000544278092 940377146 /nfs/dbraw/zinc/37/71/46/940377146.db2.gz LZJXKSJCWWLBGJ-GBXCKJPGSA-N 2 2 402.542 4.238 20 0 HIADLP C[C@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000544278092 940377150 /nfs/dbraw/zinc/37/71/50/940377150.db2.gz LZJXKSJCWWLBGJ-GBXCKJPGSA-N 2 2 402.542 4.238 20 0 HIADLP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000544350076 940397509 /nfs/dbraw/zinc/39/75/09/940397509.db2.gz GDCRLCWBWROFJY-HSZRJFAPSA-N 2 2 411.500 4.123 20 0 HIADLP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000544382054 940406955 /nfs/dbraw/zinc/40/69/55/940406955.db2.gz NEQFOGWTEUHNMR-UGKGYDQZSA-N 2 2 407.514 4.144 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)c2)cc[nH+]1 ZINC000544487774 940453413 /nfs/dbraw/zinc/45/34/13/940453413.db2.gz PHEYCCQXBDOZBQ-QFIPXVFZSA-N 2 2 421.589 4.125 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000544561557 940479567 /nfs/dbraw/zinc/47/95/67/940479567.db2.gz OSHDLSIGQDZEBO-LJQANCHMSA-N 2 2 417.557 4.038 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)c2)cc[nH+]1 ZINC000544561557 940479568 /nfs/dbraw/zinc/47/95/68/940479568.db2.gz OSHDLSIGQDZEBO-LJQANCHMSA-N 2 2 417.557 4.038 20 0 HIADLP Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000544597055 940487116 /nfs/dbraw/zinc/48/71/16/940487116.db2.gz KKNZSCOGMUAYGQ-UHFFFAOYSA-N 2 2 419.348 4.123 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000563970218 945332740 /nfs/dbraw/zinc/33/27/40/945332740.db2.gz FHZIUVLHPUKQGR-INIZCTEOSA-N 2 2 412.921 4.100 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000545916876 940657779 /nfs/dbraw/zinc/65/77/79/940657779.db2.gz LFGUJNRTVUIVAF-QGZVFWFLSA-N 2 2 415.603 4.495 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)cc2)C[C@H](C)O1 ZINC000547109959 941000296 /nfs/dbraw/zinc/00/02/96/941000296.db2.gz RCWWEUYVGBYZOY-HDICACEKSA-N 2 2 415.497 4.199 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccc(-c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)cc2)C[C@H](C)O1 ZINC000547109959 941000301 /nfs/dbraw/zinc/00/03/01/941000301.db2.gz RCWWEUYVGBYZOY-HDICACEKSA-N 2 2 415.497 4.199 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)C[NH+](Cc1cccs1)Cc1cccs1)c1ccccc1 ZINC000547786107 941075976 /nfs/dbraw/zinc/07/59/76/941075976.db2.gz MTDACVLPUMGBPS-NRFANRHFSA-N 2 2 413.612 4.231 20 0 HIADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)CC1 ZINC000547829541 941077618 /nfs/dbraw/zinc/07/76/18/941077618.db2.gz VMRMAERFAKNFIP-KRWDZBQOSA-N 2 2 405.011 4.064 20 0 HIADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(-c4ccccc4Cl)cs3)C2)CC1 ZINC000547829541 941077619 /nfs/dbraw/zinc/07/76/19/941077619.db2.gz VMRMAERFAKNFIP-KRWDZBQOSA-N 2 2 405.011 4.064 20 0 HIADLP COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3C)CCN2C2CC2)c1 ZINC000549117555 941161712 /nfs/dbraw/zinc/16/17/12/941161712.db2.gz MZNMRXZAFGTBMJ-JWQCQUIFSA-N 2 2 402.542 4.257 20 0 HIADLP CC(C)[N@@H+]1CCCC[C@@H]1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000549618628 941201629 /nfs/dbraw/zinc/20/16/29/941201629.db2.gz RKOXXYJOCAZPEI-OAQYLSRUSA-N 2 2 413.635 4.277 20 0 HIADLP CC(C)[N@H+]1CCCC[C@@H]1CSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000549618628 941201630 /nfs/dbraw/zinc/20/16/30/941201630.db2.gz RKOXXYJOCAZPEI-OAQYLSRUSA-N 2 2 413.635 4.277 20 0 HIADLP C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000550897868 941380532 /nfs/dbraw/zinc/38/05/32/941380532.db2.gz JKJVNDZTVJGIFA-CYFREDJKSA-N 2 2 409.549 4.132 20 0 HIADLP Clc1ccc([C@@H]2CCCCC[C@@H]2[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000551811962 941550171 /nfs/dbraw/zinc/55/01/71/941550171.db2.gz ISSKMKXFSGMVJY-ZEQRLZLVSA-N 2 2 420.041 4.143 20 0 HIADLP Fc1ccc(OC2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c(F)c1 ZINC000556492377 942883478 /nfs/dbraw/zinc/88/34/78/942883478.db2.gz RJNXRZXOHYOVPR-QFIPXVFZSA-N 2 2 416.512 4.099 20 0 HIADLP Fc1ccc(OC2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c(F)c1 ZINC000556492377 942883481 /nfs/dbraw/zinc/88/34/81/942883481.db2.gz RJNXRZXOHYOVPR-QFIPXVFZSA-N 2 2 416.512 4.099 20 0 HIADLP Fc1ccc(OC2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c(F)c1 ZINC000556492376 942883611 /nfs/dbraw/zinc/88/36/11/942883611.db2.gz RJNXRZXOHYOVPR-JOCHJYFZSA-N 2 2 416.512 4.099 20 0 HIADLP Fc1ccc(OC2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c(F)c1 ZINC000556492376 942883612 /nfs/dbraw/zinc/88/36/12/942883612.db2.gz RJNXRZXOHYOVPR-JOCHJYFZSA-N 2 2 416.512 4.099 20 0 HIADLP C[C@H](Cn1ccc2ccccc21)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000556936593 942972778 /nfs/dbraw/zinc/97/27/78/942972778.db2.gz AGCKWRFKWZIWAH-DCEDVJGZSA-N 2 2 424.633 4.073 20 0 HIADLP C[C@H](Cn1ccc2ccccc21)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556936593 942972781 /nfs/dbraw/zinc/97/27/81/942972781.db2.gz AGCKWRFKWZIWAH-DCEDVJGZSA-N 2 2 424.633 4.073 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000557334236 943074791 /nfs/dbraw/zinc/07/47/91/943074791.db2.gz SXBHAYWWXHIAFF-QFIPXVFZSA-N 2 2 410.949 4.398 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000557334236 943074796 /nfs/dbraw/zinc/07/47/96/943074796.db2.gz SXBHAYWWXHIAFF-QFIPXVFZSA-N 2 2 410.949 4.398 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000558476082 943570215 /nfs/dbraw/zinc/57/02/15/943570215.db2.gz JTUUKLSKQPNZFL-UHFFFAOYSA-N 2 2 407.436 4.281 20 0 HIADLP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000559754413 944045143 /nfs/dbraw/zinc/04/51/43/944045143.db2.gz ZYPJJWVWDSCRSS-LJQANCHMSA-N 2 2 401.967 4.111 20 0 HIADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000559878523 944073176 /nfs/dbraw/zinc/07/31/76/944073176.db2.gz PIGUNDXDZYGYJF-IXFSTUDKSA-N 2 2 406.505 4.414 20 0 HIADLP Cc1ccc(C)c([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c2ccccc2)c1 ZINC000560582317 944263328 /nfs/dbraw/zinc/26/33/28/944263328.db2.gz OTYIXYXCDVJXDU-MCDNJBFBSA-N 2 2 405.586 4.066 20 0 HIADLP Cc1ccc(C)c([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c2ccccc2)c1 ZINC000560582317 944263335 /nfs/dbraw/zinc/26/33/35/944263335.db2.gz OTYIXYXCDVJXDU-MCDNJBFBSA-N 2 2 405.586 4.066 20 0 HIADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccc(Br)cc4)s3)C2)C1 ZINC000560594032 944266852 /nfs/dbraw/zinc/26/68/52/944266852.db2.gz DUMJRCBWCFMZGX-IBGZPJMESA-N 2 2 406.393 4.490 20 0 HIADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(-c4ccc(Br)cc4)s3)C2)C1 ZINC000560594032 944266862 /nfs/dbraw/zinc/26/68/62/944266862.db2.gz DUMJRCBWCFMZGX-IBGZPJMESA-N 2 2 406.393 4.490 20 0 HIADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C2)C1 ZINC000560594032 944266871 /nfs/dbraw/zinc/26/68/71/944266871.db2.gz DUMJRCBWCFMZGX-IBGZPJMESA-N 2 2 406.393 4.490 20 0 HIADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C2)C1 ZINC000560594032 944266877 /nfs/dbraw/zinc/26/68/77/944266877.db2.gz DUMJRCBWCFMZGX-IBGZPJMESA-N 2 2 406.393 4.490 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000561206887 944514780 /nfs/dbraw/zinc/51/47/80/944514780.db2.gz YMTYIHKHFYXQOU-DHIUTWEWSA-N 2 2 402.542 4.193 20 0 HIADLP O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000561401899 944581435 /nfs/dbraw/zinc/58/14/35/944581435.db2.gz OOLQXSZQESODHF-LJQANCHMSA-N 2 2 404.967 4.072 20 0 HIADLP CCOc1cc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc(Br)c1O ZINC000561593572 944694116 /nfs/dbraw/zinc/69/41/16/944694116.db2.gz SQSMIIKDLGROQH-UHFFFAOYSA-N 2 2 416.319 4.088 20 0 HIADLP Cc1cc(Br)cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1OC(F)F ZINC000561975268 944883219 /nfs/dbraw/zinc/88/32/19/944883219.db2.gz BMTAVVWOEBYRQU-GFCCVEGCSA-N 2 2 400.267 4.082 20 0 HIADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1OC(F)F ZINC000561975268 944883225 /nfs/dbraw/zinc/88/32/25/944883225.db2.gz BMTAVVWOEBYRQU-GFCCVEGCSA-N 2 2 400.267 4.082 20 0 HIADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000564399877 945553922 /nfs/dbraw/zinc/55/39/22/945553922.db2.gz GTBAHCRUEIFQFB-HXUWFJFHSA-N 2 2 407.558 4.061 20 0 HIADLP Fc1ccc(Cn2cc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cn2)cc1 ZINC000565332503 945813246 /nfs/dbraw/zinc/81/32/46/945813246.db2.gz RWJVRPBIQZZXTF-RUZDIDTESA-N 2 2 404.533 4.169 20 0 HIADLP Fc1ccc(Cn2cc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cn2)cc1 ZINC000565332503 945813247 /nfs/dbraw/zinc/81/32/47/945813247.db2.gz RWJVRPBIQZZXTF-RUZDIDTESA-N 2 2 404.533 4.169 20 0 HIADLP Fc1ccc(Cn2cc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cn2)cc1 ZINC000565332503 945813248 /nfs/dbraw/zinc/81/32/48/945813248.db2.gz RWJVRPBIQZZXTF-RUZDIDTESA-N 2 2 404.533 4.169 20 0 HIADLP Fc1ccc(Cn2cc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cn2)cc1 ZINC000565332503 945813249 /nfs/dbraw/zinc/81/32/49/945813249.db2.gz RWJVRPBIQZZXTF-RUZDIDTESA-N 2 2 404.533 4.169 20 0 HIADLP COc1cccc(OC)c1OCCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000565386688 945821819 /nfs/dbraw/zinc/82/18/19/945821819.db2.gz UOYFIUFPVOXHKW-IBGZPJMESA-N 2 2 413.562 4.275 20 0 HIADLP COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000565386688 945821823 /nfs/dbraw/zinc/82/18/23/945821823.db2.gz UOYFIUFPVOXHKW-IBGZPJMESA-N 2 2 413.562 4.275 20 0 HIADLP CC[C@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)[N@H+](C)Cc1ccccc1 ZINC000565686836 945868454 /nfs/dbraw/zinc/86/84/54/945868454.db2.gz ANYUWBANFUZPML-JOCHJYFZSA-N 2 2 406.530 4.152 20 0 HIADLP CC[C@H](c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)[N@@H+](C)Cc1ccccc1 ZINC000565686836 945868455 /nfs/dbraw/zinc/86/84/55/945868455.db2.gz ANYUWBANFUZPML-JOCHJYFZSA-N 2 2 406.530 4.152 20 0 HIADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000567037834 946225040 /nfs/dbraw/zinc/22/50/40/946225040.db2.gz COVISHXYKNHEGY-KNQAVFIVSA-N 2 2 408.590 4.130 20 0 HIADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000567037834 946225052 /nfs/dbraw/zinc/22/50/52/946225052.db2.gz COVISHXYKNHEGY-KNQAVFIVSA-N 2 2 408.590 4.130 20 0 HIADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000567650662 946391569 /nfs/dbraw/zinc/39/15/69/946391569.db2.gz NHWFSJZQQWTUQR-RTBURBONSA-N 2 2 415.603 4.236 20 0 HIADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000567650662 946391582 /nfs/dbraw/zinc/39/15/82/946391582.db2.gz NHWFSJZQQWTUQR-RTBURBONSA-N 2 2 415.603 4.236 20 0 HIADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000567650662 946391599 /nfs/dbraw/zinc/39/15/99/946391599.db2.gz NHWFSJZQQWTUQR-RTBURBONSA-N 2 2 415.603 4.236 20 0 HIADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000567650662 946391613 /nfs/dbraw/zinc/39/16/13/946391613.db2.gz NHWFSJZQQWTUQR-RTBURBONSA-N 2 2 415.603 4.236 20 0 HIADLP COc1cc(F)c([C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1OC ZINC000569643866 946917803 /nfs/dbraw/zinc/91/78/03/946917803.db2.gz QQCTWEXPZFDUGM-INIZCTEOSA-N 2 2 404.501 4.340 20 0 HIADLP CC1CC[NH+](Cc2ccccc2CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000571248737 947568829 /nfs/dbraw/zinc/56/88/29/947568829.db2.gz SWHNSZCUSTVFMM-UHFFFAOYSA-N 2 2 416.569 4.022 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000571686567 947747020 /nfs/dbraw/zinc/74/70/20/947747020.db2.gz JTIMNKNDJNUORA-YOFSQIOKSA-N 2 2 417.395 4.309 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000571686567 947747022 /nfs/dbraw/zinc/74/70/22/947747022.db2.gz JTIMNKNDJNUORA-YOFSQIOKSA-N 2 2 417.395 4.309 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000571686567 947747023 /nfs/dbraw/zinc/74/70/23/947747023.db2.gz JTIMNKNDJNUORA-YOFSQIOKSA-N 2 2 417.395 4.309 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000571686567 947747025 /nfs/dbraw/zinc/74/70/25/947747025.db2.gz JTIMNKNDJNUORA-YOFSQIOKSA-N 2 2 417.395 4.309 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323775 947884775 /nfs/dbraw/zinc/88/47/75/947884775.db2.gz ZAAQEQCKZRVOAN-GBESFXJTSA-N 2 2 417.594 4.215 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323775 947884780 /nfs/dbraw/zinc/88/47/80/947884780.db2.gz ZAAQEQCKZRVOAN-GBESFXJTSA-N 2 2 417.594 4.215 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323775 947884781 /nfs/dbraw/zinc/88/47/81/947884781.db2.gz ZAAQEQCKZRVOAN-GBESFXJTSA-N 2 2 417.594 4.215 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)C2)s1 ZINC000572323775 947884784 /nfs/dbraw/zinc/88/47/84/947884784.db2.gz ZAAQEQCKZRVOAN-GBESFXJTSA-N 2 2 417.594 4.215 20 0 HIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000572827768 948020007 /nfs/dbraw/zinc/02/00/07/948020007.db2.gz HTTYPJMTGOUIFY-FNXHNPQUSA-N 2 2 421.585 4.096 20 0 HIADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000572827768 948020013 /nfs/dbraw/zinc/02/00/13/948020013.db2.gz HTTYPJMTGOUIFY-FNXHNPQUSA-N 2 2 421.585 4.096 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000573306129 948154141 /nfs/dbraw/zinc/15/41/41/948154141.db2.gz VCEPDEMRDDUAPY-DHIUTWEWSA-N 2 2 403.526 4.245 20 0 HIADLP CN(C(=O)Nc1ccccc1OC(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000573453570 948205232 /nfs/dbraw/zinc/20/52/32/948205232.db2.gz XPSYXKZSZJNZJR-MOPGFXCFSA-N 2 2 424.536 4.089 20 0 HIADLP CN(C(=O)Nc1ccccc1OC(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000573453570 948205248 /nfs/dbraw/zinc/20/52/48/948205248.db2.gz XPSYXKZSZJNZJR-MOPGFXCFSA-N 2 2 424.536 4.089 20 0 HIADLP Cc1ccc(-n2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000573731603 948284196 /nfs/dbraw/zinc/28/41/96/948284196.db2.gz KAGQOFZXCBGCJE-HXUWFJFHSA-N 2 2 401.489 4.357 20 0 HIADLP Cc1cccn2cc(Cc3noc([C@@H]4C[N@H+](Cc5ccccc5)CCC4(F)F)n3)[nH+]c12 ZINC000575216180 948634003 /nfs/dbraw/zinc/63/40/03/948634003.db2.gz SSSDFBMXXQSTPC-IBGZPJMESA-N 2 2 423.467 4.241 20 0 HIADLP Cc1cccn2cc(Cc3noc([C@@H]4C[N@@H+](Cc5ccccc5)CCC4(F)F)n3)[nH+]c12 ZINC000575216180 948634007 /nfs/dbraw/zinc/63/40/07/948634007.db2.gz SSSDFBMXXQSTPC-IBGZPJMESA-N 2 2 423.467 4.241 20 0 HIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)cc(C)[nH+]1)CC2 ZINC001164663809 719345822 /nfs/dbraw/zinc/34/58/22/719345822.db2.gz MLKFSFBEBONEFF-UHFFFAOYSA-N 2 2 401.558 4.393 20 0 HIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)cc(C)[nH+]1)CC2 ZINC001164663809 719345823 /nfs/dbraw/zinc/34/58/23/719345823.db2.gz MLKFSFBEBONEFF-UHFFFAOYSA-N 2 2 401.558 4.393 20 0 HIADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164664066 719346402 /nfs/dbraw/zinc/34/64/02/719346402.db2.gz PTNOSPJOQNXOCU-UHFFFAOYSA-N 2 2 412.541 4.258 20 0 HIADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164664066 719346405 /nfs/dbraw/zinc/34/64/05/719346405.db2.gz PTNOSPJOQNXOCU-UHFFFAOYSA-N 2 2 412.541 4.258 20 0 HIADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)[nH+]c(C(C)(C)C)n2)CC1 ZINC001165020230 721843738 /nfs/dbraw/zinc/84/37/38/721843738.db2.gz AEZCSSUGKSRCOM-UHFFFAOYSA-N 2 2 412.578 4.201 20 0 HIADLP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000436246914 861555299 /nfs/dbraw/zinc/55/52/99/861555299.db2.gz MTKPDKSMUMODMY-KSSFIOAISA-N 2 2 400.876 4.265 20 0 HIADLP Cn1ncc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000436246914 861555308 /nfs/dbraw/zinc/55/53/08/861555308.db2.gz MTKPDKSMUMODMY-KSSFIOAISA-N 2 2 400.876 4.265 20 0 HIADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C[C@H](C)O1 ZINC000023626481 846732349 /nfs/dbraw/zinc/73/23/49/846732349.db2.gz HBWQIHCPGVOQCT-ROUUACIJSA-N 2 2 415.965 4.181 20 0 HIADLP COc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1OCc1ccncc1 ZINC000030651549 847752475 /nfs/dbraw/zinc/75/24/75/847752475.db2.gz GJHQRYGJAVEXRL-UHFFFAOYSA-N 2 2 414.509 4.204 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2csc(-c3ccccn3)n2)C[C@H](C)O1 ZINC000048816809 849270358 /nfs/dbraw/zinc/27/03/58/849270358.db2.gz RMPLBROQCVVFFS-ROUUACIJSA-N 2 2 408.571 4.104 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000057783210 850714191 /nfs/dbraw/zinc/71/41/91/850714191.db2.gz JXDHTTNGBUFBTQ-FQEVSTJZSA-N 2 2 421.589 4.056 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000057783210 850714195 /nfs/dbraw/zinc/71/41/95/850714195.db2.gz JXDHTTNGBUFBTQ-FQEVSTJZSA-N 2 2 421.589 4.056 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000058805818 850932888 /nfs/dbraw/zinc/93/28/88/850932888.db2.gz LEKIYQZSFGMCSG-SFTDATJTSA-N 2 2 417.644 4.037 20 0 HIADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000058975483 850971554 /nfs/dbraw/zinc/97/15/54/850971554.db2.gz GSIAFVWCCVODKV-UHFFFAOYSA-N 2 2 410.521 4.043 20 0 HIADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000437033090 862219117 /nfs/dbraw/zinc/21/91/17/862219117.db2.gz NHRVODHGMPMYOY-UHFFFAOYSA-N 2 2 420.601 4.059 20 0 HIADLP O=C([C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1)N1CCCCC1 ZINC000065886955 852303296 /nfs/dbraw/zinc/30/32/96/852303296.db2.gz OCSYMLZKWYOYAI-ILBGXUMGSA-N 2 2 405.586 4.242 20 0 HIADLP O=C([C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1)N1CCCCC1 ZINC000065886955 852303302 /nfs/dbraw/zinc/30/33/02/852303302.db2.gz OCSYMLZKWYOYAI-ILBGXUMGSA-N 2 2 405.586 4.242 20 0 HIADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000078882842 852532963 /nfs/dbraw/zinc/53/29/63/852532963.db2.gz WVGBIFOHZHSPMR-UHFFFAOYSA-N 2 2 422.529 4.340 20 0 HIADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000110790732 853153016 /nfs/dbraw/zinc/15/30/16/853153016.db2.gz VVRPPGDCLIZLCV-IBGZPJMESA-N 2 2 407.558 4.060 20 0 HIADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000110790732 853153018 /nfs/dbraw/zinc/15/30/18/853153018.db2.gz VVRPPGDCLIZLCV-IBGZPJMESA-N 2 2 407.558 4.060 20 0 HIADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ncc(Br)cc1Br ZINC000135292692 853374207 /nfs/dbraw/zinc/37/42/07/853374207.db2.gz LPRAEVGJFBJYDS-CQSZACIVSA-N 2 2 416.161 4.008 20 0 HIADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)c1 ZINC000138500164 853388229 /nfs/dbraw/zinc/38/82/29/853388229.db2.gz BTUKUZQITSZYJY-KRWDZBQOSA-N 2 2 415.607 4.148 20 0 HIADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)c1 ZINC000138500164 853388239 /nfs/dbraw/zinc/38/82/39/853388239.db2.gz BTUKUZQITSZYJY-KRWDZBQOSA-N 2 2 415.607 4.148 20 0 HIADLP CC[NH+](C)Cc1cccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000138500164 853388251 /nfs/dbraw/zinc/38/82/51/853388251.db2.gz BTUKUZQITSZYJY-KRWDZBQOSA-N 2 2 415.607 4.148 20 0 HIADLP CC[NH+](C)Cc1cccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000138500164 853388255 /nfs/dbraw/zinc/38/82/55/853388255.db2.gz BTUKUZQITSZYJY-KRWDZBQOSA-N 2 2 415.607 4.148 20 0 HIADLP c1cn(-c2ccc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3cccnc3)cc2)c[nH+]1 ZINC000236583267 853899530 /nfs/dbraw/zinc/89/95/30/853899530.db2.gz CUEHZHYNRVZVIS-UHFFFAOYSA-N 2 2 406.493 4.410 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000236980604 853946029 /nfs/dbraw/zinc/94/60/29/853946029.db2.gz ZEOIZOKJJSEVDL-OAHLLOKOSA-N 2 2 420.916 4.380 20 0 HIADLP CNC(=O)c1ccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000237055888 853957932 /nfs/dbraw/zinc/95/79/32/853957932.db2.gz UTDXAFDVOPBNJT-UHFFFAOYSA-N 2 2 410.521 4.248 20 0 HIADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000237092638 853962977 /nfs/dbraw/zinc/96/29/77/853962977.db2.gz FGTMRWDMMPSRRL-UHFFFAOYSA-N 2 2 406.368 4.101 20 0 HIADLP COc1ccccc1-c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000237098568 853963931 /nfs/dbraw/zinc/96/39/31/853963931.db2.gz QQEUADHPVXMEPG-UHFFFAOYSA-N 2 2 402.538 4.484 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cc(Br)cs2)CC1 ZINC000237235609 853987775 /nfs/dbraw/zinc/98/77/75/853987775.db2.gz ZPIAHVBWLKRQOF-UHFFFAOYSA-N 2 2 414.800 4.206 20 0 HIADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000237334662 854008504 /nfs/dbraw/zinc/00/85/04/854008504.db2.gz AGSYDBMZIZKKKN-INIZCTEOSA-N 2 2 416.447 4.457 20 0 HIADLP Cc1c(F)cccc1-c1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)o1 ZINC000237523305 854049523 /nfs/dbraw/zinc/04/95/23/854049523.db2.gz FQLPWLIZHQHEFQ-UHFFFAOYSA-N 2 2 424.516 4.395 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)cn1 ZINC000237650428 854067674 /nfs/dbraw/zinc/06/76/74/854067674.db2.gz VOMVXWIDCPQMFH-UHFFFAOYSA-N 2 2 401.297 4.448 20 0 HIADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000237789067 854098047 /nfs/dbraw/zinc/09/80/47/854098047.db2.gz AINMOOQXQFLDNQ-UHFFFAOYSA-N 2 2 421.495 4.344 20 0 HIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000301592609 854426124 /nfs/dbraw/zinc/42/61/24/854426124.db2.gz UJVIBZDDOVHCBK-MOPGFXCFSA-N 2 2 421.614 4.483 20 0 HIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000301592609 854426127 /nfs/dbraw/zinc/42/61/27/854426127.db2.gz UJVIBZDDOVHCBK-MOPGFXCFSA-N 2 2 421.614 4.483 20 0 HIADLP COc1cc2c(cc1F)ncnc2Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000302563821 854586502 /nfs/dbraw/zinc/58/65/02/854586502.db2.gz MKIQZMKZJUIUDK-UHFFFAOYSA-N 2 2 409.509 4.299 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)CC2)CC1 ZINC000303016677 854725194 /nfs/dbraw/zinc/72/51/94/854725194.db2.gz KUAHRTJWERSVKR-DEOSSOPVSA-N 2 2 423.626 4.195 20 0 HIADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(Br)c1O ZINC000379625127 855424157 /nfs/dbraw/zinc/42/41/57/855424157.db2.gz KDAXGUWVSHMGFO-QAPCUYQASA-N 2 2 419.363 4.306 20 0 HIADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(Br)c1O ZINC000379625127 855424165 /nfs/dbraw/zinc/42/41/65/855424165.db2.gz KDAXGUWVSHMGFO-QAPCUYQASA-N 2 2 419.363 4.306 20 0 HIADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Br)cs1 ZINC000390846810 855457384 /nfs/dbraw/zinc/45/73/84/855457384.db2.gz FRLRWUIAYKWQHE-CRAIPNDOSA-N 2 2 409.393 4.452 20 0 HIADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Br)cs1 ZINC000390846810 855457391 /nfs/dbraw/zinc/45/73/91/855457391.db2.gz FRLRWUIAYKWQHE-CRAIPNDOSA-N 2 2 409.393 4.452 20 0 HIADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000410050424 855800162 /nfs/dbraw/zinc/80/01/62/855800162.db2.gz CCJOLEZWHDTGJA-XMMPIXPASA-N 2 2 416.569 4.134 20 0 HIADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000410050424 855800168 /nfs/dbraw/zinc/80/01/68/855800168.db2.gz CCJOLEZWHDTGJA-XMMPIXPASA-N 2 2 416.569 4.134 20 0 HIADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000410109797 855824259 /nfs/dbraw/zinc/82/42/59/855824259.db2.gz YVOVBGCYEGDGSO-HSZRJFAPSA-N 2 2 402.542 4.075 20 0 HIADLP CC1(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000410275196 855895855 /nfs/dbraw/zinc/89/58/55/855895855.db2.gz IECYDHCWAXWQOM-QFIPXVFZSA-N 2 2 420.601 4.228 20 0 HIADLP O[C@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000425918753 855998649 /nfs/dbraw/zinc/99/86/49/855998649.db2.gz MPLPKUWDTHROHI-JWQCQUIFSA-N 2 2 421.972 4.028 20 0 HIADLP O[C@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)C[N@H+]1CCc2ccccc2C1 ZINC000425918753 855998653 /nfs/dbraw/zinc/99/86/53/855998653.db2.gz MPLPKUWDTHROHI-JWQCQUIFSA-N 2 2 421.972 4.028 20 0 HIADLP O[C@@]1(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000426035983 856062595 /nfs/dbraw/zinc/06/25/95/856062595.db2.gz LSEMMPKGQPGUEZ-LOSJGSFVSA-N 2 2 421.972 4.245 20 0 HIADLP O[C@@]1(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000426035983 856062601 /nfs/dbraw/zinc/06/26/01/856062601.db2.gz LSEMMPKGQPGUEZ-LOSJGSFVSA-N 2 2 421.972 4.245 20 0 HIADLP O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000426157281 856144913 /nfs/dbraw/zinc/14/49/13/856144913.db2.gz RXMBNQPUWZMFAJ-UHFFFAOYSA-N 2 2 419.529 4.059 20 0 HIADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C[C@H](C)O1 ZINC000426782855 856475904 /nfs/dbraw/zinc/47/59/04/856475904.db2.gz HWPIYSIEGUZDHK-IRXDYDNUSA-N 2 2 406.521 4.143 20 0 HIADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428260247 857130843 /nfs/dbraw/zinc/13/08/43/857130843.db2.gz MMDWANCVFRNZDB-IBGZPJMESA-N 2 2 406.496 4.114 20 0 HIADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428260247 857130847 /nfs/dbraw/zinc/13/08/47/857130847.db2.gz MMDWANCVFRNZDB-IBGZPJMESA-N 2 2 406.496 4.114 20 0 HIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428260247 857130852 /nfs/dbraw/zinc/13/08/52/857130852.db2.gz MMDWANCVFRNZDB-IBGZPJMESA-N 2 2 406.496 4.114 20 0 HIADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000428260247 857130858 /nfs/dbraw/zinc/13/08/58/857130858.db2.gz MMDWANCVFRNZDB-IBGZPJMESA-N 2 2 406.496 4.114 20 0 HIADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@H]3CCC[C@@H]3c3ccccc3)n2)CC1 ZINC000428494304 857225839 /nfs/dbraw/zinc/22/58/39/857225839.db2.gz NYNZUOWRNSQJJL-RTWAWAEBSA-N 2 2 412.603 4.239 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000429233363 857566721 /nfs/dbraw/zinc/56/67/21/857566721.db2.gz CVGOANDDSLOTIT-UHFFFAOYSA-N 2 2 418.339 4.170 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000429233363 857566731 /nfs/dbraw/zinc/56/67/31/857566731.db2.gz CVGOANDDSLOTIT-UHFFFAOYSA-N 2 2 418.339 4.170 20 0 HIADLP C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429440731 857669977 /nfs/dbraw/zinc/66/99/77/857669977.db2.gz DAGAIGNHCGJAQG-SJLPKXTDSA-N 2 2 414.347 4.137 20 0 HIADLP C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429440732 857670067 /nfs/dbraw/zinc/67/00/67/857670067.db2.gz DAGAIGNHCGJAQG-WMZOPIPTSA-N 2 2 414.347 4.137 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000429982817 857982650 /nfs/dbraw/zinc/98/26/50/857982650.db2.gz SOYWOZJBYFLLJD-UHFFFAOYSA-N 2 2 407.562 4.415 20 0 HIADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCC1([NH+]3CCCCC3)CC[NH+](C)CC1)CC2 ZINC000430053125 858012924 /nfs/dbraw/zinc/01/29/24/858012924.db2.gz KWDQTBPYIQGUKG-QHCPKHFHSA-N 2 2 412.622 4.047 20 0 HIADLP COc1ccccc1-c1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000430066278 858018889 /nfs/dbraw/zinc/01/88/89/858018889.db2.gz LYHDUSULHFCGGU-UHFFFAOYSA-N 2 2 403.530 4.065 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCc1ccc(Cl)cc1 ZINC000430143501 858051968 /nfs/dbraw/zinc/05/19/68/858051968.db2.gz FGOWABDPUJVJRI-QHCPKHFHSA-N 2 2 400.950 4.455 20 0 HIADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCc1ccc(Cl)cc1 ZINC000430143501 858051978 /nfs/dbraw/zinc/05/19/78/858051978.db2.gz FGOWABDPUJVJRI-QHCPKHFHSA-N 2 2 400.950 4.455 20 0 HIADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OCc1ccc(Cl)cc1 ZINC000430143501 858051989 /nfs/dbraw/zinc/05/19/89/858051989.db2.gz FGOWABDPUJVJRI-QHCPKHFHSA-N 2 2 400.950 4.455 20 0 HIADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OCc1ccc(Cl)cc1 ZINC000430143501 858052003 /nfs/dbraw/zinc/05/20/03/858052003.db2.gz FGOWABDPUJVJRI-QHCPKHFHSA-N 2 2 400.950 4.455 20 0 HIADLP C[C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@@H+]1CCCC[C@@H]1C ZINC000430160319 858059154 /nfs/dbraw/zinc/05/91/54/858059154.db2.gz JOFAJEPYDRDJNP-OALUTQOASA-N 2 2 417.985 4.011 20 0 HIADLP C[C@@H](CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[N@H+]1CCCC[C@@H]1C ZINC000430160319 858059163 /nfs/dbraw/zinc/05/91/63/858059163.db2.gz JOFAJEPYDRDJNP-OALUTQOASA-N 2 2 417.985 4.011 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000430200043 858079418 /nfs/dbraw/zinc/07/94/18/858079418.db2.gz FAENEASNQHWUPE-HXUWFJFHSA-N 2 2 423.395 4.080 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(-c2cccs2)o1 ZINC000430936148 858374502 /nfs/dbraw/zinc/37/45/02/858374502.db2.gz SRRLXUVQUVHKEU-UHFFFAOYSA-N 3 2 402.608 4.031 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncc(-c2cccs2)o1 ZINC000430936148 858374508 /nfs/dbraw/zinc/37/45/08/858374508.db2.gz SRRLXUVQUVHKEU-UHFFFAOYSA-N 3 2 402.608 4.031 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2)C1 ZINC000431755241 858791406 /nfs/dbraw/zinc/79/14/06/858791406.db2.gz BZLJOLOPWKFZCQ-HXUWFJFHSA-N 2 2 402.542 4.345 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3c[nH+]cn3Cc3ccccc3)cc2)C1 ZINC000431755241 858791409 /nfs/dbraw/zinc/79/14/09/858791409.db2.gz BZLJOLOPWKFZCQ-HXUWFJFHSA-N 2 2 402.542 4.345 20 0 HIADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000431763899 858800138 /nfs/dbraw/zinc/80/01/38/858800138.db2.gz DFPZXFYATSOVRF-UHFFFAOYSA-N 2 2 416.569 4.166 20 0 HIADLP Brc1cccc2c(N3CC[C@H](C[NH+]4CCOCC4)C3)cc(C3CC3)[nH+]c12 ZINC000432832268 859378032 /nfs/dbraw/zinc/37/80/32/859378032.db2.gz XVZNMGMZQCDTOC-OAHLLOKOSA-N 2 2 416.363 4.033 20 0 HIADLP Brc1cccc2c(N3CC[C@@H](C[NH+]4CCOCC4)C3)cc(C3CC3)[nH+]c12 ZINC000432832266 859378421 /nfs/dbraw/zinc/37/84/21/859378421.db2.gz XVZNMGMZQCDTOC-HNNXBMFYSA-N 2 2 416.363 4.033 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689001 860462076 /nfs/dbraw/zinc/46/20/76/860462076.db2.gz RUNZOBWRYFAXQN-YLJYHZDGSA-N 2 2 412.603 4.213 20 0 HIADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)cc1C ZINC000434906342 860549011 /nfs/dbraw/zinc/54/90/11/860549011.db2.gz UBBSPDQTSJXCSY-VXKWHMMOSA-N 2 2 416.610 4.113 20 0 HIADLP COc1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)cc1C ZINC000434906342 860549016 /nfs/dbraw/zinc/54/90/16/860549016.db2.gz UBBSPDQTSJXCSY-VXKWHMMOSA-N 2 2 416.610 4.113 20 0 HIADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000434988687 860587023 /nfs/dbraw/zinc/58/70/23/860587023.db2.gz VPGPJXYUNXOEJV-IBGZPJMESA-N 2 2 407.345 4.260 20 0 HIADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000435533507 860848264 /nfs/dbraw/zinc/84/82/64/860848264.db2.gz JETQCRQZAACARW-APFRJGHOSA-N 2 2 408.586 4.021 20 0 HIADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000435533507 860848267 /nfs/dbraw/zinc/84/82/67/860848267.db2.gz JETQCRQZAACARW-APFRJGHOSA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000435533507 860848269 /nfs/dbraw/zinc/84/82/69/860848269.db2.gz JETQCRQZAACARW-APFRJGHOSA-N 2 2 408.586 4.021 20 0 HIADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000435533507 860848270 /nfs/dbraw/zinc/84/82/70/860848270.db2.gz JETQCRQZAACARW-APFRJGHOSA-N 2 2 408.586 4.021 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000438080933 863475692 /nfs/dbraw/zinc/47/56/92/863475692.db2.gz OUJJVCGYUFVHNF-UHFFFAOYSA-N 2 2 410.558 4.405 20 0 HIADLP CC(C)[C@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000439477978 864845536 /nfs/dbraw/zinc/84/55/36/864845536.db2.gz WNHQPUFXXOYKGV-DEOSSOPVSA-N 2 2 402.542 4.441 20 0 HIADLP CC(C)[C@H](C[NH2+]Cc1ccc(Oc2cnccn2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000439477978 864845539 /nfs/dbraw/zinc/84/55/39/864845539.db2.gz WNHQPUFXXOYKGV-DEOSSOPVSA-N 2 2 402.542 4.441 20 0 HIADLP O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000439895965 865207944 /nfs/dbraw/zinc/20/79/44/865207944.db2.gz GDINCIVAUPWXHY-QFIPXVFZSA-N 2 2 414.553 4.025 20 0 HIADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3csc(CCc4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000440330832 865609754 /nfs/dbraw/zinc/60/97/54/865609754.db2.gz XXXAUIJJBBQYLF-PMACEKPBSA-N 2 2 413.631 4.250 20 0 HIADLP CC[N@H+](Cc1nc(CCC(C)C)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440696853 865868357 /nfs/dbraw/zinc/86/83/57/865868357.db2.gz YJXYKHJUZVDZRB-UHFFFAOYSA-N 2 2 414.598 4.371 20 0 HIADLP CC[N@@H+](Cc1nc(CCC(C)C)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440696853 865868360 /nfs/dbraw/zinc/86/83/60/865868360.db2.gz YJXYKHJUZVDZRB-UHFFFAOYSA-N 2 2 414.598 4.371 20 0 HIADLP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000440702902 865870219 /nfs/dbraw/zinc/87/02/19/865870219.db2.gz LPKXFHPCPKGKKJ-UHFFFAOYSA-N 2 2 414.553 4.138 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCCCC[NH+]2CCCCC2)c(C)c1 ZINC000440783791 865909130 /nfs/dbraw/zinc/90/91/30/865909130.db2.gz QIXYQKDEJXGDCX-QHCPKHFHSA-N 2 2 411.594 4.197 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)CC[C@H]3CCCC[NH+]3C)ccc2c1 ZINC000441327238 866397945 /nfs/dbraw/zinc/39/79/45/866397945.db2.gz GKNOBYARVCANMI-AUSIDOKSSA-N 2 2 411.590 4.002 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)CC[C@H]3CCCC[NH+]3C)ccc2c1 ZINC000441327238 866397951 /nfs/dbraw/zinc/39/79/51/866397951.db2.gz GKNOBYARVCANMI-AUSIDOKSSA-N 2 2 411.590 4.002 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+](C)CC[C@H]3CCCC[N@@H+]3C)ccc2c1 ZINC000441327238 866397957 /nfs/dbraw/zinc/39/79/57/866397957.db2.gz GKNOBYARVCANMI-AUSIDOKSSA-N 2 2 411.590 4.002 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+](C)CC[C@H]3CCCC[N@H+]3C)ccc2c1 ZINC000441327238 866397961 /nfs/dbraw/zinc/39/79/61/866397961.db2.gz GKNOBYARVCANMI-AUSIDOKSSA-N 2 2 411.590 4.002 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N2CCCc3ccccc32)c(C)c1 ZINC000441361275 866430980 /nfs/dbraw/zinc/43/09/80/866430980.db2.gz FSCYTOQTWWSLEJ-OFNKIYASSA-N 2 2 402.542 4.199 20 0 HIADLP CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441371054 866439283 /nfs/dbraw/zinc/43/92/83/866439283.db2.gz JTSKWKZNAFSMMY-WZONZLPQSA-N 2 2 404.514 4.061 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441404758 866480155 /nfs/dbraw/zinc/48/01/55/866480155.db2.gz JMJHBOYMTIZICG-XRODADMRSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441404758 866480159 /nfs/dbraw/zinc/48/01/59/866480159.db2.gz JMJHBOYMTIZICG-XRODADMRSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441404758 866480166 /nfs/dbraw/zinc/48/01/66/866480166.db2.gz JMJHBOYMTIZICG-XRODADMRSA-N 2 2 417.597 4.229 20 0 HIADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441404758 866480175 /nfs/dbraw/zinc/48/01/75/866480175.db2.gz JMJHBOYMTIZICG-XRODADMRSA-N 2 2 417.597 4.229 20 0 HIADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000441935286 866998477 /nfs/dbraw/zinc/99/84/77/866998477.db2.gz RXKIAEVMIMXEAD-DNVCBOLYSA-N 2 2 403.368 4.211 20 0 HIADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000441935286 866998498 /nfs/dbraw/zinc/99/84/98/866998498.db2.gz RXKIAEVMIMXEAD-DNVCBOLYSA-N 2 2 403.368 4.211 20 0 HIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000441935286 866998512 /nfs/dbraw/zinc/99/85/12/866998512.db2.gz RXKIAEVMIMXEAD-DNVCBOLYSA-N 2 2 403.368 4.211 20 0 HIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000441935286 866998533 /nfs/dbraw/zinc/99/85/33/866998533.db2.gz RXKIAEVMIMXEAD-DNVCBOLYSA-N 2 2 403.368 4.211 20 0 HIADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000441935284 866999260 /nfs/dbraw/zinc/99/92/60/866999260.db2.gz RXKIAEVMIMXEAD-BEFAXECRSA-N 2 2 403.368 4.211 20 0 HIADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000441935284 866999266 /nfs/dbraw/zinc/99/92/66/866999266.db2.gz RXKIAEVMIMXEAD-BEFAXECRSA-N 2 2 403.368 4.211 20 0 HIADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000441935284 866999274 /nfs/dbraw/zinc/99/92/74/866999274.db2.gz RXKIAEVMIMXEAD-BEFAXECRSA-N 2 2 403.368 4.211 20 0 HIADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C ZINC000441935284 866999284 /nfs/dbraw/zinc/99/92/84/866999284.db2.gz RXKIAEVMIMXEAD-BEFAXECRSA-N 2 2 403.368 4.211 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)c(C)c1 ZINC000442185537 867208540 /nfs/dbraw/zinc/20/85/40/867208540.db2.gz FNVJZURPJKTHQF-XMMPIXPASA-N 2 2 411.509 4.232 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000444214393 868669577 /nfs/dbraw/zinc/66/95/77/868669577.db2.gz PIPBFFYJJDJLQX-IFMALSPDSA-N 2 2 423.601 4.003 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000444214393 868669584 /nfs/dbraw/zinc/66/95/84/868669584.db2.gz PIPBFFYJJDJLQX-IFMALSPDSA-N 2 2 423.601 4.003 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000444214394 868669664 /nfs/dbraw/zinc/66/96/64/868669664.db2.gz PIPBFFYJJDJLQX-IRLDBZIGSA-N 2 2 423.601 4.003 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2c1 ZINC000444214394 868669666 /nfs/dbraw/zinc/66/96/66/868669666.db2.gz PIPBFFYJJDJLQX-IRLDBZIGSA-N 2 2 423.601 4.003 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000444575394 868888367 /nfs/dbraw/zinc/88/83/67/868888367.db2.gz SFNGUDVJDMVQKS-UHFFFAOYSA-N 2 2 412.484 4.359 20 0 HIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000444575394 868888374 /nfs/dbraw/zinc/88/83/74/868888374.db2.gz SFNGUDVJDMVQKS-UHFFFAOYSA-N 2 2 412.484 4.359 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444790578 869008523 /nfs/dbraw/zinc/00/85/23/869008523.db2.gz ITEYTMQZPWHYJG-RBUKOAKNSA-N 2 2 404.514 4.419 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444790578 869008532 /nfs/dbraw/zinc/00/85/32/869008532.db2.gz ITEYTMQZPWHYJG-RBUKOAKNSA-N 2 2 404.514 4.419 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444795082 869010670 /nfs/dbraw/zinc/01/06/70/869010670.db2.gz LRWUNTZZHIMELE-REWPJTCUSA-N 2 2 418.541 4.378 20 0 HIADLP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000444795082 869010685 /nfs/dbraw/zinc/01/06/85/869010685.db2.gz LRWUNTZZHIMELE-REWPJTCUSA-N 2 2 418.541 4.378 20 0 HIADLP Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000444969876 869133433 /nfs/dbraw/zinc/13/34/33/869133433.db2.gz UDSVQGIBNWQJHD-DHIUTWEWSA-N 2 2 411.594 4.277 20 0 HIADLP Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000444969876 869133438 /nfs/dbraw/zinc/13/34/38/869133438.db2.gz UDSVQGIBNWQJHD-DHIUTWEWSA-N 2 2 411.594 4.277 20 0 HIADLP Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000444969877 869133589 /nfs/dbraw/zinc/13/35/89/869133589.db2.gz UDSVQGIBNWQJHD-GOTSBHOMSA-N 2 2 411.594 4.277 20 0 HIADLP Cc1cc2cc[nH]c2cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000444969877 869133591 /nfs/dbraw/zinc/13/35/91/869133591.db2.gz UDSVQGIBNWQJHD-GOTSBHOMSA-N 2 2 411.594 4.277 20 0 HIADLP CCC(CC)(CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000444988511 869145584 /nfs/dbraw/zinc/14/55/84/869145584.db2.gz PVINILCSHNOYFX-TZIWHRDSSA-N 2 2 411.594 4.219 20 0 HIADLP Cc1sc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1-c1ccc(F)cc1 ZINC000446131004 870075890 /nfs/dbraw/zinc/07/58/90/870075890.db2.gz MVOUPSFSPKKFMI-UHFFFAOYSA-N 2 2 415.578 4.151 20 0 HIADLP COC[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CCOCC1 ZINC000446831534 870747679 /nfs/dbraw/zinc/74/76/79/870747679.db2.gz FYDVFEOZSNGTOZ-VWLOTQADSA-N 2 2 405.542 4.130 20 0 HIADLP C[NH+]1CCC(CNC(=O)CC2CCC(c3ccccc3)CC2)([NH+]2CCCCC2)CC1 ZINC000460488583 873174415 /nfs/dbraw/zinc/17/44/15/873174415.db2.gz MYWJHGUSTXCBQF-UHFFFAOYSA-N 2 2 411.634 4.417 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3Sc3ccccc3)CC2)CC1 ZINC000460947056 873845954 /nfs/dbraw/zinc/84/59/54/873845954.db2.gz QIESHVMRUMTTOI-UHFFFAOYSA-N 2 2 409.599 4.126 20 0 HIADLP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(Cl)c1F ZINC000461115633 874039412 /nfs/dbraw/zinc/03/94/12/874039412.db2.gz WOPUZLWIAMDTOT-FQEVSTJZSA-N 2 2 403.929 4.108 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)([NH+]2CCCCC2)CC1 ZINC000461281723 874288579 /nfs/dbraw/zinc/28/85/79/874288579.db2.gz BOVWSLHLNXMKAY-UHFFFAOYSA-N 2 2 404.558 4.001 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCCC[N@H+](Cc3ccccc3)C1)C2 ZINC000461473264 874529014 /nfs/dbraw/zinc/52/90/14/874529014.db2.gz RJWLYRUVHDGXNF-RTWAWAEBSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000461473264 874529030 /nfs/dbraw/zinc/52/90/30/874529030.db2.gz RJWLYRUVHDGXNF-RTWAWAEBSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000461473264 874529043 /nfs/dbraw/zinc/52/90/43/874529043.db2.gz RJWLYRUVHDGXNF-RTWAWAEBSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000461473264 874529057 /nfs/dbraw/zinc/52/90/57/874529057.db2.gz RJWLYRUVHDGXNF-RTWAWAEBSA-N 2 2 408.590 4.057 20 0 HIADLP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000462775279 875833510 /nfs/dbraw/zinc/83/35/10/875833510.db2.gz FQXKYUUKMUEFJM-QGZVFWFLSA-N 2 2 401.378 4.322 20 0 HIADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2csc(-c3ccccc3F)n2)nc[nH+]1 ZINC000462817193 875859068 /nfs/dbraw/zinc/85/90/68/875859068.db2.gz NBICUBOAFPLIGE-CABCVRRESA-N 2 2 412.538 4.101 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N2CCCC2)cc1 ZINC000463141813 876193348 /nfs/dbraw/zinc/19/33/48/876193348.db2.gz ZZYKNXURAATERF-QQSVUBKYSA-N 2 2 407.602 4.475 20 0 HIADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N2CCCC2)cc1 ZINC000463141813 876193356 /nfs/dbraw/zinc/19/33/56/876193356.db2.gz ZZYKNXURAATERF-QQSVUBKYSA-N 2 2 407.602 4.475 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463188805 876247124 /nfs/dbraw/zinc/24/71/24/876247124.db2.gz IDBAQVTZLRSKPQ-HBGVWJBISA-N 2 2 403.364 4.125 20 0 HIADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)CC[N@H+]1Cc1ccccc1 ZINC000463188805 876247133 /nfs/dbraw/zinc/24/71/33/876247133.db2.gz IDBAQVTZLRSKPQ-HBGVWJBISA-N 2 2 403.364 4.125 20 0 HIADLP CN(C(=O)NCc1ccc(C(F)F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000463219814 876278569 /nfs/dbraw/zinc/27/85/69/876278569.db2.gz AJGPESJTHZKOSQ-NHCUHLMSSA-N 2 2 422.564 4.103 20 0 HIADLP CN(C(=O)NCc1ccc(C(F)F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000463219814 876278586 /nfs/dbraw/zinc/27/85/86/876278586.db2.gz AJGPESJTHZKOSQ-NHCUHLMSSA-N 2 2 422.564 4.103 20 0 HIADLP Cc1noc(C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c2ccccc2)n1 ZINC000463241811 876297839 /nfs/dbraw/zinc/29/78/39/876297839.db2.gz FFXSXQCXRHADTN-QHCPKHFHSA-N 2 2 408.521 4.098 20 0 HIADLP CCN1CCO[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262184 876319310 /nfs/dbraw/zinc/31/93/10/876319310.db2.gz YQMSNXPJFGMKDH-AFQFEXIYSA-N 2 2 407.602 4.091 20 0 HIADLP CCN1CCO[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262184 876319322 /nfs/dbraw/zinc/31/93/22/876319322.db2.gz YQMSNXPJFGMKDH-AFQFEXIYSA-N 2 2 407.602 4.091 20 0 HIADLP CC[N@@H+]1CCO[C@@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262184 876319328 /nfs/dbraw/zinc/31/93/28/876319328.db2.gz YQMSNXPJFGMKDH-AFQFEXIYSA-N 2 2 407.602 4.091 20 0 HIADLP CC[N@H+]1CCO[C@@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262184 876319334 /nfs/dbraw/zinc/31/93/34/876319334.db2.gz YQMSNXPJFGMKDH-AFQFEXIYSA-N 2 2 407.602 4.091 20 0 HIADLP CC[NH+]1CCO[C@@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262184 876319339 /nfs/dbraw/zinc/31/93/39/876319339.db2.gz YQMSNXPJFGMKDH-AFQFEXIYSA-N 2 2 407.602 4.091 20 0 HIADLP CC[NH+]1CCO[C@@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000463262184 876319353 /nfs/dbraw/zinc/31/93/53/876319353.db2.gz YQMSNXPJFGMKDH-AFQFEXIYSA-N 2 2 407.602 4.091 20 0 HIADLP Cn1c2ccc(Cl)cc2nc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463286379 876345016 /nfs/dbraw/zinc/34/50/16/876345016.db2.gz LKXTUEQRQHXRRU-UHFFFAOYSA-N 2 2 400.929 4.163 20 0 HIADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000463707280 876826620 /nfs/dbraw/zinc/82/66/20/876826620.db2.gz VODNMQHQQHBIAJ-IBGZPJMESA-N 2 2 409.578 4.376 20 0 HIADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000463707280 876826625 /nfs/dbraw/zinc/82/66/25/876826625.db2.gz VODNMQHQQHBIAJ-IBGZPJMESA-N 2 2 409.578 4.376 20 0 HIADLP O=C(NCc1ccco1)c1cccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503369298 912345796 /nfs/dbraw/zinc/34/57/96/912345796.db2.gz BVVXLEYDZNGIHL-NRFANRHFSA-N 2 2 418.541 4.122 20 0 HIADLP O=C(NCc1ccco1)c1cccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503369298 912345823 /nfs/dbraw/zinc/34/58/23/912345823.db2.gz BVVXLEYDZNGIHL-NRFANRHFSA-N 2 2 418.541 4.122 20 0 HIADLP Brc1cccc(OCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503387318 912369038 /nfs/dbraw/zinc/36/90/38/912369038.db2.gz ACQZBLQSNFLXQT-MRXNPFEDSA-N 2 2 404.352 4.240 20 0 HIADLP Brc1cccc(OCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503387318 912369065 /nfs/dbraw/zinc/36/90/65/912369065.db2.gz ACQZBLQSNFLXQT-MRXNPFEDSA-N 2 2 404.352 4.240 20 0 HIADLP CC(C)[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1Cl ZINC000466024741 879711524 /nfs/dbraw/zinc/71/15/24/879711524.db2.gz FAXORDSUFPZOBP-OAQYLSRUSA-N 2 2 421.029 4.287 20 0 HIADLP CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000466734534 880518484 /nfs/dbraw/zinc/51/84/84/880518484.db2.gz DUSJQOUUTKXSMD-LJQANCHMSA-N 2 2 400.567 4.147 20 0 HIADLP CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000466734534 880518494 /nfs/dbraw/zinc/51/84/94/880518494.db2.gz DUSJQOUUTKXSMD-LJQANCHMSA-N 2 2 400.567 4.147 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469787362 883962324 /nfs/dbraw/zinc/96/23/24/883962324.db2.gz OMDKJWLIDSVKQD-ZPMCFJSWSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469787362 883962352 /nfs/dbraw/zinc/96/23/52/883962352.db2.gz OMDKJWLIDSVKQD-ZPMCFJSWSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469787362 883962366 /nfs/dbraw/zinc/96/23/66/883962366.db2.gz OMDKJWLIDSVKQD-ZPMCFJSWSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469787362 883962381 /nfs/dbraw/zinc/96/23/81/883962381.db2.gz OMDKJWLIDSVKQD-ZPMCFJSWSA-N 2 2 420.523 4.203 20 0 HIADLP C[C@H](N(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000470060123 884311163 /nfs/dbraw/zinc/31/11/63/884311163.db2.gz YPNINZUGISCGBB-FQEVSTJZSA-N 2 2 414.638 4.191 20 0 HIADLP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503920857 912865041 /nfs/dbraw/zinc/86/50/41/912865041.db2.gz PZVXEBUXFAHGQR-PXNSSMCTSA-N 2 2 424.427 4.213 20 0 HIADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)s1 ZINC000512375153 921113999 /nfs/dbraw/zinc/11/39/99/921113999.db2.gz NAEAXVYQRMCBID-IBGZPJMESA-N 2 2 413.509 4.481 20 0 HIADLP CCCc1cccc(C(C)C)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000471871308 886650856 /nfs/dbraw/zinc/65/08/56/886650856.db2.gz NWVJJRQWUKPTSX-UHFFFAOYSA-N 2 2 400.611 4.443 20 0 HIADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000473736844 888516300 /nfs/dbraw/zinc/51/63/00/888516300.db2.gz BWENILKWPUGIAJ-NZQKXSOJSA-N 2 2 411.594 4.298 20 0 HIADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000473736844 888516313 /nfs/dbraw/zinc/51/63/13/888516313.db2.gz BWENILKWPUGIAJ-NZQKXSOJSA-N 2 2 411.594 4.298 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474109866 888931321 /nfs/dbraw/zinc/93/13/21/888931321.db2.gz JBBVYYZISAQJJW-BSIFCXSSSA-N 2 2 419.400 4.467 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474109866 888931344 /nfs/dbraw/zinc/93/13/44/888931344.db2.gz JBBVYYZISAQJJW-BSIFCXSSSA-N 2 2 419.400 4.467 20 0 HIADLP COc1ccc([C@H](C)[C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000474801566 889653759 /nfs/dbraw/zinc/65/37/59/889653759.db2.gz YRYUZPOYHUBXBC-MSOLQXFVSA-N 2 2 412.578 4.233 20 0 HIADLP COc1ccc([C@@H](C)[C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000474801568 889653989 /nfs/dbraw/zinc/65/39/89/889653989.db2.gz YRYUZPOYHUBXBC-ROUUACIJSA-N 2 2 412.578 4.233 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)C2 ZINC000474894743 889751985 /nfs/dbraw/zinc/75/19/85/889751985.db2.gz DDKBHGXGASXQQW-LJQANCHMSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)CC2 ZINC000474894743 889751989 /nfs/dbraw/zinc/75/19/89/889751989.db2.gz DDKBHGXGASXQQW-LJQANCHMSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[N@@H+]3CCC[C@H](C)C3)cc1)C2 ZINC000474905518 889766148 /nfs/dbraw/zinc/76/61/48/889766148.db2.gz KEEDYOPTDLAIRK-RXVVDRJESA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc(C[N@H+]3CCC[C@H](C)C3)cc1)C2 ZINC000474905518 889766154 /nfs/dbraw/zinc/76/61/54/889766154.db2.gz KEEDYOPTDLAIRK-RXVVDRJESA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[N@@H+]3CCC[C@H](C)C3)cc1)CC2 ZINC000474905518 889766166 /nfs/dbraw/zinc/76/61/66/889766166.db2.gz KEEDYOPTDLAIRK-RXVVDRJESA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc(C[N@H+]3CCC[C@H](C)C3)cc1)CC2 ZINC000474905518 889766173 /nfs/dbraw/zinc/76/61/73/889766173.db2.gz KEEDYOPTDLAIRK-RXVVDRJESA-N 2 2 408.590 4.186 20 0 HIADLP CCCOc1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1OC ZINC000475332895 890252492 /nfs/dbraw/zinc/25/24/92/890252492.db2.gz NBBJJQKDSPYRSR-UHFFFAOYSA-N 2 2 400.485 4.379 20 0 HIADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000476334424 891239493 /nfs/dbraw/zinc/23/94/93/891239493.db2.gz JPBRUOBFAJCMPO-QGZVFWFLSA-N 2 2 402.608 4.070 20 0 HIADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000476334424 891239514 /nfs/dbraw/zinc/23/95/14/891239514.db2.gz JPBRUOBFAJCMPO-QGZVFWFLSA-N 2 2 402.608 4.070 20 0 HIADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000476575348 891497194 /nfs/dbraw/zinc/49/71/94/891497194.db2.gz LGAOHHUAJRJOOC-UWJYYQICSA-N 2 2 424.416 4.465 20 0 HIADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000476575348 891497212 /nfs/dbraw/zinc/49/72/12/891497212.db2.gz LGAOHHUAJRJOOC-UWJYYQICSA-N 2 2 424.416 4.465 20 0 HIADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000476984690 891910618 /nfs/dbraw/zinc/91/06/18/891910618.db2.gz YOBQVFXYBBFNJH-KSSFIOAISA-N 2 2 409.958 4.025 20 0 HIADLP C[NH+](C)C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc(F)cc1 ZINC000479030877 894293477 /nfs/dbraw/zinc/29/34/77/894293477.db2.gz YULUDHFQJPYKBV-QFIPXVFZSA-N 2 2 419.504 4.165 20 0 HIADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000479480403 894803417 /nfs/dbraw/zinc/80/34/17/894803417.db2.gz RMOOOUPPXDZBPA-IGEOTXOUSA-N 2 2 409.496 4.372 20 0 HIADLP OC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1OC(F)(F)F ZINC000479534079 894839871 /nfs/dbraw/zinc/83/98/71/894839871.db2.gz VAIJEDUMQAXKNE-RCLSDMTESA-N 2 2 420.475 4.404 20 0 HIADLP OC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1OC(F)(F)F ZINC000479534079 894839882 /nfs/dbraw/zinc/83/98/82/894839882.db2.gz VAIJEDUMQAXKNE-RCLSDMTESA-N 2 2 420.475 4.404 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1Br ZINC000479890054 895237442 /nfs/dbraw/zinc/23/74/42/895237442.db2.gz UHMADKYEFNGHPQ-HNNXBMFYSA-N 2 2 407.327 4.271 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)NC(C)(C)CC[NH+]3CCCCCC3)c2)cc[nH+]1 ZINC000480074827 895426384 /nfs/dbraw/zinc/42/63/84/895426384.db2.gz YDZPNQDNOVMYBM-UHFFFAOYSA-N 2 2 409.578 4.172 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000480609454 895975627 /nfs/dbraw/zinc/97/56/27/895975627.db2.gz LERWZYKTRQBCHI-HNNXBMFYSA-N 2 2 406.357 4.232 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000480612356 895978571 /nfs/dbraw/zinc/97/85/71/895978571.db2.gz LQCYVTJIFXSIQP-TVZXLZGTSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000480612356 895978580 /nfs/dbraw/zinc/97/85/80/895978580.db2.gz LQCYVTJIFXSIQP-TVZXLZGTSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000480612356 895978583 /nfs/dbraw/zinc/97/85/83/895978583.db2.gz LQCYVTJIFXSIQP-TVZXLZGTSA-N 3 2 406.618 4.456 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000480612356 895978589 /nfs/dbraw/zinc/97/85/89/895978589.db2.gz LQCYVTJIFXSIQP-TVZXLZGTSA-N 3 2 406.618 4.456 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000480711960 896074755 /nfs/dbraw/zinc/07/47/55/896074755.db2.gz RKGJBHQGBJUKRY-JPYJTQIMSA-N 2 2 415.603 4.009 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000480711960 896074763 /nfs/dbraw/zinc/07/47/63/896074763.db2.gz RKGJBHQGBJUKRY-JPYJTQIMSA-N 2 2 415.603 4.009 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000480762775 896124781 /nfs/dbraw/zinc/12/47/81/896124781.db2.gz LFVGIRLUHBDFHF-OIBXWCBGSA-N 2 2 408.030 4.204 20 0 HIADLP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@H](C)C1 ZINC000480762775 896124784 /nfs/dbraw/zinc/12/47/84/896124784.db2.gz LFVGIRLUHBDFHF-OIBXWCBGSA-N 2 2 408.030 4.204 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000480886093 896242446 /nfs/dbraw/zinc/24/24/46/896242446.db2.gz XHBFMQULRZQXFV-NTKDMRAZSA-N 2 2 406.574 4.211 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000480886093 896242459 /nfs/dbraw/zinc/24/24/59/896242459.db2.gz XHBFMQULRZQXFV-NTKDMRAZSA-N 2 2 406.574 4.211 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481177482 896515341 /nfs/dbraw/zinc/51/53/41/896515341.db2.gz ZXIOKAQFQGUCKB-ZWOKBUDYSA-N 2 2 415.965 4.176 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481177482 896515357 /nfs/dbraw/zinc/51/53/57/896515357.db2.gz ZXIOKAQFQGUCKB-ZWOKBUDYSA-N 2 2 415.965 4.176 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cc2c(s1)CCCC2 ZINC000481193227 896546233 /nfs/dbraw/zinc/54/62/33/896546233.db2.gz TZKJVUWBCPORMA-SFHVURJKSA-N 2 2 400.588 4.189 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1nc2ccccc2s1 ZINC000481193946 896548906 /nfs/dbraw/zinc/54/89/06/896548906.db2.gz VQZBDNDFIAJXAV-AOIWGVFYSA-N 2 2 408.571 4.124 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1nc2ccccc2s1 ZINC000481193946 896548923 /nfs/dbraw/zinc/54/89/23/896548923.db2.gz VQZBDNDFIAJXAV-AOIWGVFYSA-N 2 2 408.571 4.124 20 0 HIADLP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481201833 896554370 /nfs/dbraw/zinc/55/43/70/896554370.db2.gz KHWIQEQBIMYRJH-HXUWFJFHSA-N 2 2 421.368 4.482 20 0 HIADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000481247450 896598700 /nfs/dbraw/zinc/59/87/00/896598700.db2.gz SIQTUVXEVXPZSA-OAHLLOKOSA-N 2 2 411.402 4.369 20 0 HIADLP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)CCOCC2)cc1 ZINC000481542075 896902183 /nfs/dbraw/zinc/90/21/83/896902183.db2.gz JGEOFUKYAYSJGG-SQJMNOBHSA-N 2 2 423.601 4.029 20 0 HIADLP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)CCOCC2)cc1 ZINC000481542075 896902195 /nfs/dbraw/zinc/90/21/95/896902195.db2.gz JGEOFUKYAYSJGG-SQJMNOBHSA-N 2 2 423.601 4.029 20 0 HIADLP O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000481881645 897254297 /nfs/dbraw/zinc/25/42/97/897254297.db2.gz SLYKVXSTAHZTMV-QFIPXVFZSA-N 2 2 414.553 4.025 20 0 HIADLP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000482097863 897543250 /nfs/dbraw/zinc/54/32/50/897543250.db2.gz KCTNPPXZKBRQPR-MIZPHKNDSA-N 2 2 413.009 4.370 20 0 HIADLP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000482097863 897543262 /nfs/dbraw/zinc/54/32/62/897543262.db2.gz KCTNPPXZKBRQPR-MIZPHKNDSA-N 2 2 413.009 4.370 20 0 HIADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000482742692 898346187 /nfs/dbraw/zinc/34/61/87/898346187.db2.gz JIJZZFAHORRPHE-APWZRJJASA-N 2 2 403.567 4.009 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)oc1C ZINC000482883104 898497076 /nfs/dbraw/zinc/49/70/76/898497076.db2.gz CJXZTCDSYLKUJF-DVECYGJZSA-N 3 2 410.606 4.004 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)oc1C ZINC000482883104 898497088 /nfs/dbraw/zinc/49/70/88/898497088.db2.gz CJXZTCDSYLKUJF-DVECYGJZSA-N 3 2 410.606 4.004 20 0 HIADLP Cc1nc(CN2CCC(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)oc1C ZINC000482883104 898497097 /nfs/dbraw/zinc/49/70/97/898497097.db2.gz CJXZTCDSYLKUJF-DVECYGJZSA-N 2 2 410.606 4.004 20 0 HIADLP Cc1nc(CN2CCC(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)oc1C ZINC000482883104 898497107 /nfs/dbraw/zinc/49/71/07/898497107.db2.gz CJXZTCDSYLKUJF-DVECYGJZSA-N 2 2 410.606 4.004 20 0 HIADLP C[C@@H](c1cccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1)[NH+]1CCOCC1 ZINC000482959123 898588654 /nfs/dbraw/zinc/58/86/54/898588654.db2.gz JMEXLURACCEDPV-NRFANRHFSA-N 2 2 421.585 4.321 20 0 HIADLP CC1CCC(Oc2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)ccn2)CC1 ZINC000482959853 898589537 /nfs/dbraw/zinc/58/95/37/898589537.db2.gz LLRGZOYCFIWSGU-GPYWDQNKSA-N 2 2 408.590 4.434 20 0 HIADLP CC1CCC(Oc2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)ccn2)CC1 ZINC000482959853 898589546 /nfs/dbraw/zinc/58/95/46/898589546.db2.gz LLRGZOYCFIWSGU-GPYWDQNKSA-N 2 2 408.590 4.434 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(I)cc1 ZINC000483125324 898810849 /nfs/dbraw/zinc/81/08/49/898810849.db2.gz JEGDQNJCSCEWJZ-CQSZACIVSA-N 2 2 403.267 4.328 20 0 HIADLP C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000505580458 914287893 /nfs/dbraw/zinc/28/78/93/914287893.db2.gz GQTGZYXWGQUTPO-AVCGJXAMSA-N 2 2 408.590 4.301 20 0 HIADLP CC[N@@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000483200371 898856032 /nfs/dbraw/zinc/85/60/32/898856032.db2.gz UJGMEIORROPULY-UHFFFAOYSA-N 2 2 409.509 4.318 20 0 HIADLP CC[N@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000483200371 898856033 /nfs/dbraw/zinc/85/60/33/898856033.db2.gz UJGMEIORROPULY-UHFFFAOYSA-N 2 2 409.509 4.318 20 0 HIADLP CCN(C)c1ccc(C[N@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC000483256366 898897500 /nfs/dbraw/zinc/89/75/00/898897500.db2.gz DBWVAMPGCXHOLO-UHFFFAOYSA-N 2 2 410.610 4.250 20 0 HIADLP CCN(C)c1ccc(C[N@@H+](CC)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cn1 ZINC000483256366 898897501 /nfs/dbraw/zinc/89/75/01/898897501.db2.gz DBWVAMPGCXHOLO-UHFFFAOYSA-N 2 2 410.610 4.250 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488590 899140524 /nfs/dbraw/zinc/14/05/24/899140524.db2.gz DCUBYQSFPZSPIV-LSWJPFSZSA-N 2 2 423.626 4.008 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488590 899140528 /nfs/dbraw/zinc/14/05/28/899140528.db2.gz DCUBYQSFPZSPIV-LSWJPFSZSA-N 2 2 423.626 4.008 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483488590 899140535 /nfs/dbraw/zinc/14/05/35/899140535.db2.gz DCUBYQSFPZSPIV-LSWJPFSZSA-N 2 2 423.626 4.008 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483488590 899140542 /nfs/dbraw/zinc/14/05/42/899140542.db2.gz DCUBYQSFPZSPIV-LSWJPFSZSA-N 2 2 423.626 4.008 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000483573954 899226861 /nfs/dbraw/zinc/22/68/61/899226861.db2.gz BCBMYUAFWIDAIR-LADGPHEKSA-N 2 2 414.553 4.307 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000483573954 899226874 /nfs/dbraw/zinc/22/68/74/899226874.db2.gz BCBMYUAFWIDAIR-LADGPHEKSA-N 2 2 414.553 4.307 20 0 HIADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[C@@H]1C ZINC000483715415 899372418 /nfs/dbraw/zinc/37/24/18/899372418.db2.gz WYKSPKQRSSEEBT-ZWOKBUDYSA-N 2 2 424.992 4.130 20 0 HIADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[C@@H]1C ZINC000483715415 899372433 /nfs/dbraw/zinc/37/24/33/899372433.db2.gz WYKSPKQRSSEEBT-ZWOKBUDYSA-N 2 2 424.992 4.130 20 0 HIADLP C[C@H]([NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000483830217 899508932 /nfs/dbraw/zinc/50/89/32/899508932.db2.gz CQAIWTPICDOKCD-FUHWJXTLSA-N 2 2 419.447 4.273 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000483934471 899592299 /nfs/dbraw/zinc/59/22/99/899592299.db2.gz PEBBVMGWQAAKBX-UHFFFAOYSA-N 2 2 424.932 4.390 20 0 HIADLP CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000483965449 899612203 /nfs/dbraw/zinc/61/22/03/899612203.db2.gz MPBRHQKVKXMNTH-LJQANCHMSA-N 2 2 422.495 4.194 20 0 HIADLP CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000483965449 899612213 /nfs/dbraw/zinc/61/22/13/899612213.db2.gz MPBRHQKVKXMNTH-LJQANCHMSA-N 2 2 422.495 4.194 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000484068539 899701838 /nfs/dbraw/zinc/70/18/38/899701838.db2.gz BYESJGMTBAQCBR-FQEVSTJZSA-N 3 2 421.564 4.313 20 0 HIADLP COc1ccc(C[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)c2ccc(OC)cc2)cc1 ZINC000484490141 899981605 /nfs/dbraw/zinc/98/16/05/899981605.db2.gz XBEGFOKUCVPVSQ-XZOQPEGZSA-N 2 2 400.588 4.015 20 0 HIADLP C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485410814 900707796 /nfs/dbraw/zinc/70/77/96/900707796.db2.gz XEUUQZRGJBXVKG-GPUOULLFSA-N 2 2 405.586 4.240 20 0 HIADLP C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485410814 900707806 /nfs/dbraw/zinc/70/78/06/900707806.db2.gz XEUUQZRGJBXVKG-GPUOULLFSA-N 2 2 405.586 4.240 20 0 HIADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000487857940 902408511 /nfs/dbraw/zinc/40/85/11/902408511.db2.gz KXFPPRNGZKOCQZ-UHFFFAOYSA-N 2 2 408.521 4.144 20 0 HIADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000487857940 902408518 /nfs/dbraw/zinc/40/85/18/902408518.db2.gz KXFPPRNGZKOCQZ-UHFFFAOYSA-N 2 2 408.521 4.144 20 0 HIADLP Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488732444 902969685 /nfs/dbraw/zinc/96/96/85/902969685.db2.gz WLNUIIXPLAXBPH-RUZDIDTESA-N 2 2 409.574 4.095 20 0 HIADLP Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488732444 902969691 /nfs/dbraw/zinc/96/96/91/902969691.db2.gz WLNUIIXPLAXBPH-RUZDIDTESA-N 2 2 409.574 4.095 20 0 HIADLP Cc1ccc2snc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000489146428 903230277 /nfs/dbraw/zinc/23/02/77/903230277.db2.gz GGHYUEPLSXQRPB-UXHICEINSA-N 2 2 414.619 4.014 20 0 HIADLP Cc1ccc2snc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000489146428 903230291 /nfs/dbraw/zinc/23/02/91/903230291.db2.gz GGHYUEPLSXQRPB-UXHICEINSA-N 2 2 414.619 4.014 20 0 HIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1c(C)nc2ccccn21 ZINC000506025055 914704508 /nfs/dbraw/zinc/70/45/08/914704508.db2.gz BQNFXFXDCJGYAP-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1c(C)nc2ccccn21 ZINC000506025055 914704514 /nfs/dbraw/zinc/70/45/14/914704514.db2.gz BQNFXFXDCJGYAP-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000489387305 903359759 /nfs/dbraw/zinc/35/97/59/903359759.db2.gz HEIUQTDWIFEQNE-INIZCTEOSA-N 2 2 418.944 4.440 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000489387305 903359771 /nfs/dbraw/zinc/35/97/71/903359771.db2.gz HEIUQTDWIFEQNE-INIZCTEOSA-N 2 2 418.944 4.440 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)c(F)c1 ZINC000489490520 903418139 /nfs/dbraw/zinc/41/81/39/903418139.db2.gz XAQXGXDZSDGQPO-KLHJMIIUSA-N 2 2 421.354 4.122 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)c(F)c1 ZINC000489490520 903418147 /nfs/dbraw/zinc/41/81/47/903418147.db2.gz XAQXGXDZSDGQPO-KLHJMIIUSA-N 2 2 421.354 4.122 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)c(F)c1 ZINC000489565771 903467841 /nfs/dbraw/zinc/46/78/41/903467841.db2.gz GDFOYAXMUZFRDL-OAHLLOKOSA-N 2 2 407.327 4.271 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2ccc(-c3ccco3)cc2F)([NH+]2CCCCC2)CC1 ZINC000490498095 904051248 /nfs/dbraw/zinc/05/12/48/904051248.db2.gz BZMCAAKRAMQNDO-UHFFFAOYSA-N 2 2 414.525 4.158 20 0 HIADLP Cc1nc([C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490632581 904148012 /nfs/dbraw/zinc/14/80/12/904148012.db2.gz WWKUMPVIUMSAKE-MDKPJZGXSA-N 2 2 416.997 4.322 20 0 HIADLP Cc1nc([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000490632581 904148020 /nfs/dbraw/zinc/14/80/20/904148020.db2.gz WWKUMPVIUMSAKE-MDKPJZGXSA-N 2 2 416.997 4.322 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cn1 ZINC000490795278 904242517 /nfs/dbraw/zinc/24/25/17/904242517.db2.gz FNJKZMPPFSRSJJ-UHFFFAOYSA-N 2 2 403.461 4.075 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000494138039 905480937 /nfs/dbraw/zinc/48/09/37/905480937.db2.gz WKQORZPJZORDEX-FXAWDEMLSA-N 2 2 423.782 4.075 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000494138039 905480945 /nfs/dbraw/zinc/48/09/45/905480945.db2.gz WKQORZPJZORDEX-FXAWDEMLSA-N 2 2 423.782 4.075 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494163561 905499258 /nfs/dbraw/zinc/49/92/58/905499258.db2.gz KKKZYOGWJFUDFB-TZIWHRDSSA-N 2 2 404.505 4.015 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494163561 905499269 /nfs/dbraw/zinc/49/92/69/905499269.db2.gz KKKZYOGWJFUDFB-TZIWHRDSSA-N 2 2 404.505 4.015 20 0 HIADLP CCOc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1OCCOc1ccc(C)cc1 ZINC000494446473 905731286 /nfs/dbraw/zinc/73/12/86/905731286.db2.gz VJEJNXAMXIUDGE-NRFANRHFSA-N 2 2 421.541 4.153 20 0 HIADLP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000495023409 906183434 /nfs/dbraw/zinc/18/34/34/906183434.db2.gz GVKSMFTWWCGNNP-BJKOFHAPSA-N 2 2 423.605 4.169 20 0 HIADLP COc1cc(Br)c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1O ZINC000495184575 906295018 /nfs/dbraw/zinc/29/50/18/906295018.db2.gz PSHCYSVEBKPECL-WBVHZDCISA-N 2 2 419.363 4.164 20 0 HIADLP COc1cc(Br)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1O ZINC000495184575 906295034 /nfs/dbraw/zinc/29/50/34/906295034.db2.gz PSHCYSVEBKPECL-WBVHZDCISA-N 2 2 419.363 4.164 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000495435349 906450736 /nfs/dbraw/zinc/45/07/36/906450736.db2.gz WDDCCMRTGMTLRG-SXWKCWPCSA-N 2 2 403.574 4.445 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000495435349 906450746 /nfs/dbraw/zinc/45/07/46/906450746.db2.gz WDDCCMRTGMTLRG-SXWKCWPCSA-N 2 2 403.574 4.445 20 0 HIADLP CN(C(=O)c1cc(F)c(Cl)cc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000495757687 906544368 /nfs/dbraw/zinc/54/43/68/906544368.db2.gz NCIBBTCGYSMADA-WOJBJXKFSA-N 2 2 413.940 4.027 20 0 HIADLP CN(C(=O)c1cc(F)c(Cl)cc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495757687 906544377 /nfs/dbraw/zinc/54/43/77/906544377.db2.gz NCIBBTCGYSMADA-WOJBJXKFSA-N 2 2 413.940 4.027 20 0 HIADLP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000496053283 906604737 /nfs/dbraw/zinc/60/47/37/906604737.db2.gz LPFPDLJLAMMASB-DEOSSOPVSA-N 2 2 416.569 4.479 20 0 HIADLP C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000496053283 906604743 /nfs/dbraw/zinc/60/47/43/906604743.db2.gz LPFPDLJLAMMASB-DEOSSOPVSA-N 2 2 416.569 4.479 20 0 HIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)c[nH+]1 ZINC000512643110 921271501 /nfs/dbraw/zinc/27/15/01/921271501.db2.gz VRZGCOQPMLOVNB-JIMJEQGWSA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)c[nH+]1 ZINC000512643110 921271504 /nfs/dbraw/zinc/27/15/04/921271504.db2.gz VRZGCOQPMLOVNB-JIMJEQGWSA-N 3 2 400.570 4.322 20 0 HIADLP FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498564498 908025317 /nfs/dbraw/zinc/02/53/17/908025317.db2.gz QNSXATJFTXETQW-HXUWFJFHSA-N 2 2 418.507 4.135 20 0 HIADLP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000498564498 908025325 /nfs/dbraw/zinc/02/53/25/908025325.db2.gz QNSXATJFTXETQW-HXUWFJFHSA-N 2 2 418.507 4.135 20 0 HIADLP FC(F)(F)c1ccc2nnc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n2c1 ZINC000499182293 908535976 /nfs/dbraw/zinc/53/59/76/908535976.db2.gz VJYMFPVLOQJDQD-REPLKXPHSA-N 2 2 415.463 4.033 20 0 HIADLP FC(F)(F)c1ccc2nnc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2c1 ZINC000499182293 908535981 /nfs/dbraw/zinc/53/59/81/908535981.db2.gz VJYMFPVLOQJDQD-REPLKXPHSA-N 2 2 415.463 4.033 20 0 HIADLP CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cccc(C[NH+](C)Cc4ccccc4)c3)n2)C1 ZINC000500866315 910138220 /nfs/dbraw/zinc/13/82/20/910138220.db2.gz MEWHQHLAGFCWJW-JOCHJYFZSA-N 2 2 406.530 4.150 20 0 HIADLP CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cccc(C[NH+](C)Cc4ccccc4)c3)n2)C1 ZINC000500866315 910138230 /nfs/dbraw/zinc/13/82/30/910138230.db2.gz MEWHQHLAGFCWJW-JOCHJYFZSA-N 2 2 406.530 4.150 20 0 HIADLP CC(C)[NH+]1CCO[C@@H](c2noc(-c3cccc(C[N@H+](C)Cc4ccccc4)c3)n2)C1 ZINC000500866315 910138233 /nfs/dbraw/zinc/13/82/33/910138233.db2.gz MEWHQHLAGFCWJW-JOCHJYFZSA-N 2 2 406.530 4.150 20 0 HIADLP CC(C)[NH+]1CCO[C@@H](c2noc(-c3cccc(C[N@@H+](C)Cc4ccccc4)c3)n2)C1 ZINC000500866315 910138246 /nfs/dbraw/zinc/13/82/46/910138246.db2.gz MEWHQHLAGFCWJW-JOCHJYFZSA-N 2 2 406.530 4.150 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccsc1 ZINC000501110588 910299533 /nfs/dbraw/zinc/29/95/33/910299533.db2.gz VJEDUJCZNDMUCQ-HXUWFJFHSA-N 2 2 415.607 4.016 20 0 HIADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cnn(C2CCCC2)c1 ZINC000502686555 911727297 /nfs/dbraw/zinc/72/72/97/911727297.db2.gz MXDYCRKYAQCIMI-QFIPXVFZSA-N 2 2 409.622 4.247 20 0 HIADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000503051080 912017440 /nfs/dbraw/zinc/01/74/40/912017440.db2.gz FYXYYYYWIPJHPV-RHSMWYFYSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1n1cc[nH+]c1 ZINC000503051080 912017451 /nfs/dbraw/zinc/01/74/51/912017451.db2.gz FYXYYYYWIPJHPV-RHSMWYFYSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503063911 912027687 /nfs/dbraw/zinc/02/76/87/912027687.db2.gz OUYIZLKJDLHLCX-OUOWLKGYSA-N 2 2 422.960 4.325 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000503063911 912027707 /nfs/dbraw/zinc/02/77/07/912027707.db2.gz OUYIZLKJDLHLCX-OUOWLKGYSA-N 2 2 422.960 4.325 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503076089 912045051 /nfs/dbraw/zinc/04/50/51/912045051.db2.gz WOSZNCKIFIICRY-XNJGSVPQSA-N 2 2 414.859 4.465 20 0 HIADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503076089 912045064 /nfs/dbraw/zinc/04/50/64/912045064.db2.gz WOSZNCKIFIICRY-XNJGSVPQSA-N 2 2 414.859 4.465 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000503075855 912045507 /nfs/dbraw/zinc/04/55/07/912045507.db2.gz RLBPUVRWGBHLDT-QZNHQWIBSA-N 2 2 409.361 4.339 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1Cl ZINC000503075855 912045522 /nfs/dbraw/zinc/04/55/22/912045522.db2.gz RLBPUVRWGBHLDT-QZNHQWIBSA-N 2 2 409.361 4.339 20 0 HIADLP Cc1cc([NH+]2CCCCCC2)ccc1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000508068670 916890483 /nfs/dbraw/zinc/89/04/83/916890483.db2.gz NXFFPMVVDZDNNK-UHFFFAOYSA-N 2 2 401.576 4.238 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(C(=O)OC(C)(C)C)cc3)[nH+]c2)CC1 ZINC000508617865 917386538 /nfs/dbraw/zinc/38/65/38/917386538.db2.gz HUNCXRIVMAWLFH-UHFFFAOYSA-N 2 2 410.562 4.179 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000509029224 917783778 /nfs/dbraw/zinc/78/37/78/917783778.db2.gz DGPDTGCCHCNJNO-UIFIKXQLSA-N 2 2 417.985 4.212 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(Cl)cc1 ZINC000509029224 917783794 /nfs/dbraw/zinc/78/37/94/917783794.db2.gz DGPDTGCCHCNJNO-UIFIKXQLSA-N 2 2 417.985 4.212 20 0 HIADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000509431522 918089341 /nfs/dbraw/zinc/08/93/41/918089341.db2.gz PVYNYADEEYEEAP-HXUWFJFHSA-N 2 2 403.929 4.017 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)CC(C)C ZINC000509860421 918464031 /nfs/dbraw/zinc/46/40/31/918464031.db2.gz QZEDSHURDBLSIM-ONTIZHBOSA-N 2 2 418.626 4.174 20 0 HIADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)s1 ZINC000510228765 918769831 /nfs/dbraw/zinc/76/98/31/918769831.db2.gz MOGWPPZSJQPBCE-UHFFFAOYSA-N 2 2 403.555 4.347 20 0 HIADLP Cc1cccc([C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2cccc(F)c2)c1 ZINC000510753927 919204660 /nfs/dbraw/zinc/20/46/60/919204660.db2.gz RWDJSIHQOLNKOA-XMMPIXPASA-N 2 2 404.533 4.160 20 0 HIADLP CO[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)c1ccccc1 ZINC000510969209 919512800 /nfs/dbraw/zinc/51/28/00/919512800.db2.gz PFXSWFOVKFMZMO-SFHVURJKSA-N 2 2 404.308 4.129 20 0 HIADLP CO[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)c1ccccc1 ZINC000510969209 919512814 /nfs/dbraw/zinc/51/28/14/919512814.db2.gz PFXSWFOVKFMZMO-SFHVURJKSA-N 2 2 404.308 4.129 20 0 HIADLP COc1ccc(C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)c2ccccc2)cc1OC ZINC000512138179 920883596 /nfs/dbraw/zinc/88/35/96/920883596.db2.gz XZURRESKLMGYLI-FQEVSTJZSA-N 2 2 411.571 4.296 20 0 HIADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc2ccccc2c1 ZINC000514092636 922414577 /nfs/dbraw/zinc/41/45/77/922414577.db2.gz FYFPWMKGSPRJJN-UHFFFAOYSA-N 2 2 417.553 4.133 20 0 HIADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc2ccccc2c1 ZINC000514092636 922414591 /nfs/dbraw/zinc/41/45/91/922414591.db2.gz FYFPWMKGSPRJJN-UHFFFAOYSA-N 2 2 417.553 4.133 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)n2)cc1 ZINC000515162754 922963351 /nfs/dbraw/zinc/96/33/51/922963351.db2.gz NYJZXSZPWKBFRK-VLCRHTCISA-N 2 2 418.541 4.260 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)n2)cc1 ZINC000515162754 922963368 /nfs/dbraw/zinc/96/33/68/922963368.db2.gz NYJZXSZPWKBFRK-VLCRHTCISA-N 2 2 418.541 4.260 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)n2)cc1 ZINC000515162754 922963385 /nfs/dbraw/zinc/96/33/85/922963385.db2.gz NYJZXSZPWKBFRK-VLCRHTCISA-N 2 2 418.541 4.260 20 0 HIADLP COc1ccc(-c2noc([C@H](C)[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)n2)cc1 ZINC000515162754 922963411 /nfs/dbraw/zinc/96/34/11/922963411.db2.gz NYJZXSZPWKBFRK-VLCRHTCISA-N 2 2 418.541 4.260 20 0 HIADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000515888283 923413894 /nfs/dbraw/zinc/41/38/94/923413894.db2.gz PTQUBNCCDANADV-ZEQRLZLVSA-N 2 2 417.553 4.281 20 0 HIADLP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000515888283 923413903 /nfs/dbraw/zinc/41/39/03/923413903.db2.gz PTQUBNCCDANADV-ZEQRLZLVSA-N 2 2 417.553 4.281 20 0 HIADLP c1cn(-c2csc(C[NH2+]C3CCN(Cc4coc(-c5ccccc5)n4)CC3)c2)c[nH+]1 ZINC000515910220 923428328 /nfs/dbraw/zinc/42/83/28/923428328.db2.gz HOQYJBKISAGFGS-UHFFFAOYSA-N 2 2 419.554 4.343 20 0 HIADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000515921982 923437899 /nfs/dbraw/zinc/43/78/99/923437899.db2.gz JNAMBAABBFBLSQ-UHFFFAOYSA-N 2 2 408.933 4.054 20 0 HIADLP CC1CC[NH+]([C@@H](CNC(=O)NCCCCNc2cccc[nH+]2)c2cccs2)CC1 ZINC000517103062 923998973 /nfs/dbraw/zinc/99/89/73/923998973.db2.gz APDKBXVCNZCYBR-IBGZPJMESA-N 2 2 415.607 4.108 20 0 HIADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3cnc(-c4ccccc4)nc3)CC2)c1 ZINC000517561868 926681728 /nfs/dbraw/zinc/68/17/28/926681728.db2.gz TVBWRSGEEHIIEM-UHFFFAOYSA-N 2 2 421.976 4.099 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCCCNc3cccc[nH+]3)cc2)C1 ZINC000517911843 926887479 /nfs/dbraw/zinc/88/74/79/926887479.db2.gz CALQCPXYHUFEBV-FQEVSTJZSA-N 2 2 409.578 4.005 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCCNc3cccc[nH+]3)cc2)C1 ZINC000517911843 926887483 /nfs/dbraw/zinc/88/74/83/926887483.db2.gz CALQCPXYHUFEBV-FQEVSTJZSA-N 2 2 409.578 4.005 20 0 HIADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518132284 927039962 /nfs/dbraw/zinc/03/99/62/927039962.db2.gz UIDCGROPRPXZHD-LJQANCHMSA-N 2 2 408.521 4.053 20 0 HIADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000518132284 927039968 /nfs/dbraw/zinc/03/99/68/927039968.db2.gz UIDCGROPRPXZHD-LJQANCHMSA-N 2 2 408.521 4.053 20 0 HIADLP C[C@@H]([NH2+]C1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCCC1)c1ccccc1 ZINC000518865638 927572737 /nfs/dbraw/zinc/57/27/37/927572737.db2.gz RVVOEGFRAGWKEK-HXUWFJFHSA-N 2 2 402.542 4.325 20 0 HIADLP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(OCc2ccccc2)c1 ZINC000524617181 929726183 /nfs/dbraw/zinc/72/61/83/929726183.db2.gz GWYLRKUMEBLRBI-UHFFFAOYSA-N 2 2 424.589 4.064 20 0 HIADLP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(OCc2ccccc2)c1 ZINC000524617181 929726191 /nfs/dbraw/zinc/72/61/91/929726191.db2.gz GWYLRKUMEBLRBI-UHFFFAOYSA-N 2 2 424.589 4.064 20 0 HIADLP O[C@@]1(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000525461215 930254889 /nfs/dbraw/zinc/25/48/89/930254889.db2.gz JKYKELOIBGFOMB-XMMPIXPASA-N 2 2 412.480 4.168 20 0 HIADLP O[C@@]1(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461215 930254894 /nfs/dbraw/zinc/25/48/94/930254894.db2.gz JKYKELOIBGFOMB-XMMPIXPASA-N 2 2 412.480 4.168 20 0 HIADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000525695810 930407279 /nfs/dbraw/zinc/40/72/79/930407279.db2.gz ADQVIYCWSKAHOR-INIZCTEOSA-N 2 2 422.367 4.037 20 0 HIADLP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH+]cn1C ZINC000525997222 930504358 /nfs/dbraw/zinc/50/43/58/930504358.db2.gz FFGRXKWRJOQRPU-UHFFFAOYSA-N 2 2 411.377 4.030 20 0 HIADLP Cc1cccn2cc(COc3ccc(C[NH2+]CCCNc4cccc[nH+]4)cc3)nc12 ZINC000530722843 930808513 /nfs/dbraw/zinc/80/85/13/930808513.db2.gz AVBPXVPWZKYIOE-UHFFFAOYSA-N 2 2 401.514 4.209 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(C(F)(F)F)c1 ZINC000530815153 930830474 /nfs/dbraw/zinc/83/04/74/930830474.db2.gz LGNVFILSUZLYAR-SJLPKXTDSA-N 2 2 408.468 4.218 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1cccc(C(F)(F)F)c1 ZINC000531285126 931001349 /nfs/dbraw/zinc/00/13/49/931001349.db2.gz DAWDGTZFCYYMCJ-KXBFYZLASA-N 2 2 410.484 4.046 20 0 HIADLP FC(F)(F)c1cnc(N2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)c(Cl)c1 ZINC000531557845 931102429 /nfs/dbraw/zinc/10/24/29/931102429.db2.gz SDDDFXJETURJMR-MRXNPFEDSA-N 2 2 421.854 4.308 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3sccc3Br)cc2)CC1 ZINC000531682422 931150541 /nfs/dbraw/zinc/15/05/41/931150541.db2.gz VPXOKZCDFFTROY-MRXNPFEDSA-N 2 2 422.436 4.499 20 0 HIADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+]C3CCN(c4cnccn4)CC3)cc2)c[nH+]1 ZINC000531705486 931167073 /nfs/dbraw/zinc/16/70/73/931167073.db2.gz RTBOVQHJRXQBIS-UHFFFAOYSA-N 2 2 424.552 4.147 20 0 HIADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000531758887 931185447 /nfs/dbraw/zinc/18/54/47/931185447.db2.gz VXSHLBRCVPDXPM-UXHICEINSA-N 2 2 419.363 4.177 20 0 HIADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000531960318 931265575 /nfs/dbraw/zinc/26/55/75/931265575.db2.gz QKZWNCCCIUANPH-HXUWFJFHSA-N 2 2 404.558 4.335 20 0 HIADLP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000531960317 931265779 /nfs/dbraw/zinc/26/57/79/931265779.db2.gz QKZWNCCCIUANPH-FQEVSTJZSA-N 2 2 404.558 4.335 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)OC)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733446 931615910 /nfs/dbraw/zinc/61/59/10/931615910.db2.gz DPOASXLHCNMGAY-UHFFFAOYSA-N 2 2 410.562 4.186 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)OC)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733446 931615914 /nfs/dbraw/zinc/61/59/14/931615914.db2.gz DPOASXLHCNMGAY-UHFFFAOYSA-N 2 2 410.562 4.186 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(F)c(Br)c3)[nH+]c2)CC1 ZINC000532865841 931671898 /nfs/dbraw/zinc/67/18/98/931671898.db2.gz HTRPFWGTEIDUSB-UHFFFAOYSA-N 2 2 407.331 4.126 20 0 HIADLP CCC[NH+]1CCC([NH+](C)Cc2ccc(C[N@@H+](C)C3CC[NH+](CCC)CC3)cc2)CC1 ZINC000532988208 931727810 /nfs/dbraw/zinc/72/78/10/931727810.db2.gz VCJYQQPWWOALKL-UHFFFAOYSA-N 4 2 414.682 4.299 20 0 HIADLP CCC[NH+]1CCC([NH+](C)Cc2ccc(C[N@H+](C)C3CC[NH+](CCC)CC3)cc2)CC1 ZINC000532988208 931727814 /nfs/dbraw/zinc/72/78/14/931727814.db2.gz VCJYQQPWWOALKL-UHFFFAOYSA-N 4 2 414.682 4.299 20 0 HIADLP CC[N@H+](Cc1cc(C(=O)OC)oc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533074026 931764776 /nfs/dbraw/zinc/76/47/76/931764776.db2.gz HFRRYOXNJOFPOQ-UHFFFAOYSA-N 2 2 414.550 4.087 20 0 HIADLP CC[N@@H+](Cc1cc(C(=O)OC)oc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533074026 931764781 /nfs/dbraw/zinc/76/47/81/931764781.db2.gz HFRRYOXNJOFPOQ-UHFFFAOYSA-N 2 2 414.550 4.087 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000533347567 931844509 /nfs/dbraw/zinc/84/45/09/931844509.db2.gz SQJXGUAYHRIMIE-QGZVFWFLSA-N 2 2 421.570 4.304 20 0 HIADLP CC[N@H+](CC(=O)Nc1c(C)cccc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395819 931857453 /nfs/dbraw/zinc/85/74/53/931857453.db2.gz BOJQBRINPOIENX-UHFFFAOYSA-N 2 2 423.605 4.455 20 0 HIADLP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533395819 931857456 /nfs/dbraw/zinc/85/74/56/931857456.db2.gz BOJQBRINPOIENX-UHFFFAOYSA-N 2 2 423.605 4.455 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccc(C[NH+](C)[C@H]3CC[N@@H+](CC)[C@@H](C)C3)cc2)C[C@@H]1C ZINC000533447509 931871996 /nfs/dbraw/zinc/87/19/96/931871996.db2.gz NFDOTPGOVLCRNK-LIOHBJMPSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccc(C[NH+](C)[C@H]3CC[N@H+](CC)[C@@H](C)C3)cc2)C[C@@H]1C ZINC000533447509 931871999 /nfs/dbraw/zinc/87/19/99/931871999.db2.gz NFDOTPGOVLCRNK-LIOHBJMPSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccc(C[N@@H+](C)[C@H]3CC[NH+](CC)[C@@H](C)C3)cc2)C[C@@H]1C ZINC000533447509 931872001 /nfs/dbraw/zinc/87/20/01/931872001.db2.gz NFDOTPGOVLCRNK-LIOHBJMPSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccc(C[N@H+](C)[C@H]3CC[NH+](CC)[C@@H](C)C3)cc2)C[C@@H]1C ZINC000533447509 931872002 /nfs/dbraw/zinc/87/20/02/931872002.db2.gz NFDOTPGOVLCRNK-LIOHBJMPSA-N 4 2 414.682 4.296 20 0 HIADLP CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc21 ZINC000533484884 931881744 /nfs/dbraw/zinc/88/17/44/931881744.db2.gz YWWCDMXXZMXCRY-UHFFFAOYSA-N 2 2 401.514 4.287 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000533485070 931881852 /nfs/dbraw/zinc/88/18/52/931881852.db2.gz MMFICZDQTIESLB-NTKDMRAZSA-N 2 2 407.558 4.203 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000533485070 931881854 /nfs/dbraw/zinc/88/18/54/931881854.db2.gz MMFICZDQTIESLB-NTKDMRAZSA-N 2 2 407.558 4.203 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000533485070 931881858 /nfs/dbraw/zinc/88/18/58/931881858.db2.gz MMFICZDQTIESLB-NTKDMRAZSA-N 2 2 407.558 4.203 20 0 HIADLP CC(=O)c1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000533485070 931881863 /nfs/dbraw/zinc/88/18/63/931881863.db2.gz MMFICZDQTIESLB-NTKDMRAZSA-N 2 2 407.558 4.203 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000533649696 931945688 /nfs/dbraw/zinc/94/56/88/931945688.db2.gz RPLJKCPUMBHISJ-BULFRSBZSA-N 2 2 406.014 4.239 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000533649696 931945696 /nfs/dbraw/zinc/94/56/96/931945696.db2.gz RPLJKCPUMBHISJ-BULFRSBZSA-N 2 2 406.014 4.239 20 0 HIADLP CN(C(=O)c1cncc(-c2ccccc2)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534357665 932391625 /nfs/dbraw/zinc/39/16/25/932391625.db2.gz DBKXCIMTIPWUHX-RPBOFIJWSA-N 2 2 420.601 4.158 20 0 HIADLP CN(C(=O)c1cncc(-c2ccccc2)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534357665 932391635 /nfs/dbraw/zinc/39/16/35/932391635.db2.gz DBKXCIMTIPWUHX-RPBOFIJWSA-N 2 2 420.601 4.158 20 0 HIADLP Cc1ccc(CCCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534358177 932392287 /nfs/dbraw/zinc/39/22/87/932392287.db2.gz HTKDGVXWTMBRIH-VXKWHMMOSA-N 2 2 405.652 4.175 20 0 HIADLP Cc1ccc(CCCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534358177 932392295 /nfs/dbraw/zinc/39/22/95/932392295.db2.gz HTKDGVXWTMBRIH-VXKWHMMOSA-N 2 2 405.652 4.175 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000534359570 932392795 /nfs/dbraw/zinc/39/27/95/932392795.db2.gz KOKZBZYZGCRUAS-YFXJRYMSSA-N 2 2 403.586 4.115 20 0 HIADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000534359570 932392801 /nfs/dbraw/zinc/39/28/01/932392801.db2.gz KOKZBZYZGCRUAS-YFXJRYMSSA-N 2 2 403.586 4.115 20 0 HIADLP CCc1ccccc1N(C(C)=O)c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1 ZINC000534487798 932527362 /nfs/dbraw/zinc/52/73/62/932527362.db2.gz HVSDWRBQVSZQDV-UHFFFAOYSA-N 2 2 400.592 4.164 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534932322 932844157 /nfs/dbraw/zinc/84/41/57/932844157.db2.gz YDNQCZPVWJVBBQ-WOJBJXKFSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1ccc(Cl)c(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534932322 932844163 /nfs/dbraw/zinc/84/41/63/932844163.db2.gz YDNQCZPVWJVBBQ-WOJBJXKFSA-N 2 2 410.965 4.280 20 0 HIADLP C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535203548 933011859 /nfs/dbraw/zinc/01/18/59/933011859.db2.gz XOZZUFKVDDUFPS-YSZBQJHXSA-N 2 2 420.041 4.314 20 0 HIADLP C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535203548 933011863 /nfs/dbraw/zinc/01/18/63/933011863.db2.gz XOZZUFKVDDUFPS-YSZBQJHXSA-N 2 2 420.041 4.314 20 0 HIADLP CC1CCC([NH+]2CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)CC2)CC1 ZINC000535326994 933074274 /nfs/dbraw/zinc/07/42/74/933074274.db2.gz RNXWALSAFAVHHK-UHFFFAOYSA-N 2 2 419.573 4.330 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000535325994 933074391 /nfs/dbraw/zinc/07/43/91/933074391.db2.gz JAYRLLFZROGNTO-UHFFFAOYSA-N 2 2 405.546 4.084 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000535325994 933074396 /nfs/dbraw/zinc/07/43/96/933074396.db2.gz JAYRLLFZROGNTO-UHFFFAOYSA-N 2 2 405.546 4.084 20 0 HIADLP CN(C(=O)CCCc1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535635988 933278501 /nfs/dbraw/zinc/27/85/01/933278501.db2.gz GXXMXAQZSBUTCI-PKTZIBPZSA-N 2 2 421.576 4.083 20 0 HIADLP CN(C(=O)CCCc1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535635988 933278510 /nfs/dbraw/zinc/27/85/10/933278510.db2.gz GXXMXAQZSBUTCI-PKTZIBPZSA-N 2 2 421.576 4.083 20 0 HIADLP CC(C)Oc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535646887 933286483 /nfs/dbraw/zinc/28/64/83/933286483.db2.gz MKULSMLXGVFNRQ-VXKWHMMOSA-N 2 2 416.610 4.275 20 0 HIADLP CC(C)Oc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535646887 933286499 /nfs/dbraw/zinc/28/64/99/933286499.db2.gz MKULSMLXGVFNRQ-VXKWHMMOSA-N 2 2 416.610 4.275 20 0 HIADLP COc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)c2ccccc2)cc1 ZINC000535661620 933306262 /nfs/dbraw/zinc/30/62/62/933306262.db2.gz JVXZDPNAZRONRJ-DEOSSOPVSA-N 2 2 421.516 4.366 20 0 HIADLP CN(C(=O)c1cc2cc(F)ccc2s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851819 933435711 /nfs/dbraw/zinc/43/57/11/933435711.db2.gz RONXPPNKOLCKMT-UXHICEINSA-N 2 2 417.594 4.450 20 0 HIADLP CN(C(=O)c1cc2cc(F)ccc2s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851819 933435717 /nfs/dbraw/zinc/43/57/17/933435717.db2.gz RONXPPNKOLCKMT-UXHICEINSA-N 2 2 417.594 4.450 20 0 HIADLP CN(C(=O)c1ccc(OC2CCC2)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535855829 933439087 /nfs/dbraw/zinc/43/90/87/933439087.db2.gz OQQCNDYKLHTPBI-ZEQRLZLVSA-N 2 2 413.606 4.027 20 0 HIADLP CN(C(=O)c1ccc(OC2CCC2)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535855829 933439095 /nfs/dbraw/zinc/43/90/95/933439095.db2.gz OQQCNDYKLHTPBI-ZEQRLZLVSA-N 2 2 413.606 4.027 20 0 HIADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)CCC2 ZINC000537417229 933767045 /nfs/dbraw/zinc/76/70/45/933767045.db2.gz SRLDDIFMCWRFST-CYBMUJFWSA-N 2 2 400.267 4.223 20 0 HIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OCC(F)(F)F)cc1 ZINC000537457115 933781910 /nfs/dbraw/zinc/78/19/10/933781910.db2.gz GGGGHPUUSCKKGW-CRAIPNDOSA-N 2 2 408.468 4.336 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694372 938356702 /nfs/dbraw/zinc/35/67/02/938356702.db2.gz IGVKMDLGCFKHIJ-FGZHOGPDSA-N 2 2 410.558 4.199 20 0 HIADLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694372 938356706 /nfs/dbraw/zinc/35/67/06/938356706.db2.gz IGVKMDLGCFKHIJ-FGZHOGPDSA-N 2 2 410.558 4.199 20 0 HIADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694372 938356710 /nfs/dbraw/zinc/35/67/10/938356710.db2.gz IGVKMDLGCFKHIJ-FGZHOGPDSA-N 2 2 410.558 4.199 20 0 HIADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC000537694372 938356714 /nfs/dbraw/zinc/35/67/14/938356714.db2.gz IGVKMDLGCFKHIJ-FGZHOGPDSA-N 2 2 410.558 4.199 20 0 HIADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000537952686 938430539 /nfs/dbraw/zinc/43/05/39/938430539.db2.gz PKBKLCPBOKUAFL-PMACEKPBSA-N 2 2 419.573 4.270 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000538269251 938579958 /nfs/dbraw/zinc/57/99/58/938579958.db2.gz XNSCUAXUJFNLPD-ZDUSSCGKSA-N 2 2 405.527 4.231 20 0 HIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)ncn2C ZINC000538307531 938588646 /nfs/dbraw/zinc/58/86/46/938588646.db2.gz BGNKWFGZGWDGGM-UHFFFAOYSA-N 2 2 403.530 4.261 20 0 HIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)ncn2C ZINC000538307531 938588648 /nfs/dbraw/zinc/58/86/48/938588648.db2.gz BGNKWFGZGWDGGM-UHFFFAOYSA-N 2 2 403.530 4.261 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538325880 938593344 /nfs/dbraw/zinc/59/33/44/938593344.db2.gz HTOVPDAEBMYVRL-PKTZIBPZSA-N 2 2 400.611 4.358 20 0 HIADLP CCc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000538325880 938593347 /nfs/dbraw/zinc/59/33/47/938593347.db2.gz HTOVPDAEBMYVRL-PKTZIBPZSA-N 2 2 400.611 4.358 20 0 HIADLP CC(=O)N(c1nc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cs1)C1CC1 ZINC000538414218 938615273 /nfs/dbraw/zinc/61/52/73/938615273.db2.gz DUELTGQZIILVLR-UHFFFAOYSA-N 2 2 424.570 4.173 20 0 HIADLP CC(=O)N(c1nc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cs1)C1CC1 ZINC000538414218 938615274 /nfs/dbraw/zinc/61/52/74/938615274.db2.gz DUELTGQZIILVLR-UHFFFAOYSA-N 2 2 424.570 4.173 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(Br)ccc3F)[nH+]c2)CC1 ZINC000538426181 938617280 /nfs/dbraw/zinc/61/72/80/938617280.db2.gz CXHYDOJPONPIPT-UHFFFAOYSA-N 2 2 407.331 4.126 20 0 HIADLP COc1cc(OC)c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1Cl ZINC000538558232 938648723 /nfs/dbraw/zinc/64/87/23/938648723.db2.gz SVMGLGAAUAAVPY-GOEBONIOSA-N 2 2 404.942 4.066 20 0 HIADLP CC[N@@H+](Cc1cc(O)ccc1Br)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538719834 938690028 /nfs/dbraw/zinc/69/00/28/938690028.db2.gz LXSCKHDTTNOVKS-UHFFFAOYSA-N 2 2 404.352 4.288 20 0 HIADLP CC[N@H+](Cc1cc(O)ccc1Br)CC1CCN(c2cccc[nH+]2)CC1 ZINC000538719834 938690030 /nfs/dbraw/zinc/69/00/30/938690030.db2.gz LXSCKHDTTNOVKS-UHFFFAOYSA-N 2 2 404.352 4.288 20 0 HIADLP c1csc([C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CCCC2)c1 ZINC000538985555 938759981 /nfs/dbraw/zinc/75/99/81/938759981.db2.gz XBSOWFIUECNMMP-HSZRJFAPSA-N 2 2 400.588 4.480 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1nc2ccc(Cl)cc2n1C ZINC000539203813 938818661 /nfs/dbraw/zinc/81/86/61/938818661.db2.gz ZFRZOIWDMUOKEL-IAGOWNOFSA-N 2 2 412.965 4.298 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1nc2ccc(Cl)cc2n1C ZINC000539203813 938818662 /nfs/dbraw/zinc/81/86/62/938818662.db2.gz ZFRZOIWDMUOKEL-IAGOWNOFSA-N 2 2 412.965 4.298 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4c3cccc4Br)[nH+]c2)C1 ZINC000539659597 938895798 /nfs/dbraw/zinc/89/57/98/938895798.db2.gz QKCJKGIQPFOFGI-HNAYVOBHSA-N 2 2 401.352 4.084 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4c3cccc4Br)[nH+]c2)C1 ZINC000539659599 938895805 /nfs/dbraw/zinc/89/58/05/938895805.db2.gz QKCJKGIQPFOFGI-KXBFYZLASA-N 2 2 401.352 4.084 20 0 HIADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(Br)c1 ZINC000539660014 938895885 /nfs/dbraw/zinc/89/58/85/938895885.db2.gz RPLQIDXVWDGEBF-HOCLYGCPSA-N 2 2 419.367 4.166 20 0 HIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[N@@H+]1C ZINC000539818339 938942438 /nfs/dbraw/zinc/94/24/38/938942438.db2.gz WISGZCVTPHMSHD-OXQOHEQNSA-N 2 2 418.379 4.338 20 0 HIADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[N@H+]1C ZINC000539818339 938942449 /nfs/dbraw/zinc/94/24/49/938942449.db2.gz WISGZCVTPHMSHD-OXQOHEQNSA-N 2 2 418.379 4.338 20 0 HIADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[NH+]1C ZINC000539818339 938942456 /nfs/dbraw/zinc/94/24/56/938942456.db2.gz WISGZCVTPHMSHD-OXQOHEQNSA-N 2 2 418.379 4.338 20 0 HIADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[NH+]1C ZINC000539818339 938942462 /nfs/dbraw/zinc/94/24/62/938942462.db2.gz WISGZCVTPHMSHD-OXQOHEQNSA-N 2 2 418.379 4.338 20 0 HIADLP CC[N@@H+](Cc1cc(OC)ccc1OC(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539819266 938943805 /nfs/dbraw/zinc/94/38/05/938943805.db2.gz USAPYUBPXDDNRQ-UHFFFAOYSA-N 2 2 405.489 4.430 20 0 HIADLP CC[N@H+](Cc1cc(OC)ccc1OC(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000539819266 938943810 /nfs/dbraw/zinc/94/38/10/938943810.db2.gz USAPYUBPXDDNRQ-UHFFFAOYSA-N 2 2 405.489 4.430 20 0 HIADLP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(SC)cc1OC ZINC000539827970 938949025 /nfs/dbraw/zinc/94/90/25/938949025.db2.gz WEIPVZTUQLEXCY-LJQANCHMSA-N 2 2 400.588 4.380 20 0 HIADLP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(SC)cc1OC ZINC000539827970 938949031 /nfs/dbraw/zinc/94/90/31/938949031.db2.gz WEIPVZTUQLEXCY-LJQANCHMSA-N 2 2 400.588 4.380 20 0 HIADLP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(SC)cc1OC ZINC000539827970 938949037 /nfs/dbraw/zinc/94/90/37/938949037.db2.gz WEIPVZTUQLEXCY-LJQANCHMSA-N 2 2 400.588 4.380 20 0 HIADLP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(SC)cc1OC ZINC000539827970 938949039 /nfs/dbraw/zinc/94/90/39/938949039.db2.gz WEIPVZTUQLEXCY-LJQANCHMSA-N 2 2 400.588 4.380 20 0 HIADLP C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000539836168 938952910 /nfs/dbraw/zinc/95/29/10/938952910.db2.gz XNNRDYNEADBSHJ-HXUWFJFHSA-N 2 2 401.558 4.088 20 0 HIADLP C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000539836168 938952914 /nfs/dbraw/zinc/95/29/14/938952914.db2.gz XNNRDYNEADBSHJ-HXUWFJFHSA-N 2 2 401.558 4.088 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000563613854 945226897 /nfs/dbraw/zinc/22/68/97/945226897.db2.gz XJOIXRPJNJUTSP-REWPJTCUSA-N 2 2 408.590 4.435 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000563613854 945226904 /nfs/dbraw/zinc/22/69/04/945226904.db2.gz XJOIXRPJNJUTSP-REWPJTCUSA-N 2 2 408.590 4.435 20 0 HIADLP CC(C)c1ccc(-c2nc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000540334128 939198094 /nfs/dbraw/zinc/19/80/94/939198094.db2.gz WMDSWPHVICGXBV-UHFFFAOYSA-N 2 2 400.636 4.391 20 0 HIADLP CC(C)c1ccc(-c2nc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000540334128 939198095 /nfs/dbraw/zinc/19/80/95/939198095.db2.gz WMDSWPHVICGXBV-UHFFFAOYSA-N 2 2 400.636 4.391 20 0 HIADLP Cc1ccc(SC2CCCC2)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540725633 939350101 /nfs/dbraw/zinc/35/01/01/939350101.db2.gz DSURWTXZDMTXNC-UHFFFAOYSA-N 2 2 403.636 4.128 20 0 HIADLP Cc1ccc(SC2CCCC2)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540725633 939350106 /nfs/dbraw/zinc/35/01/06/939350106.db2.gz DSURWTXZDMTXNC-UHFFFAOYSA-N 2 2 403.636 4.128 20 0 HIADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000540987884 939425689 /nfs/dbraw/zinc/42/56/89/939425689.db2.gz BKSLNRPJVNCJFL-GOSISDBHSA-N 2 2 414.981 4.161 20 0 HIADLP CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1F ZINC000540988570 939425735 /nfs/dbraw/zinc/42/57/35/939425735.db2.gz FYLALFXFXKZAIP-OAQYLSRUSA-N 2 2 424.992 4.034 20 0 HIADLP Cc1ccc([C@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[NH+]2CCCC2)cc1 ZINC000541185075 939484815 /nfs/dbraw/zinc/48/48/15/939484815.db2.gz SXJSEBDSBVJLPS-DEOSSOPVSA-N 2 2 423.605 4.230 20 0 HIADLP CCOc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000541250866 939487675 /nfs/dbraw/zinc/48/76/75/939487675.db2.gz CTVFZTDQTWVONF-NHCUHLMSSA-N 2 2 422.013 4.148 20 0 HIADLP CCOc1cc(Cl)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000541250866 939487676 /nfs/dbraw/zinc/48/76/76/939487676.db2.gz CTVFZTDQTWVONF-NHCUHLMSSA-N 2 2 422.013 4.148 20 0 HIADLP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)ccc1F ZINC000541424058 939512216 /nfs/dbraw/zinc/51/22/16/939512216.db2.gz XOIJTICQQILIFH-IBGZPJMESA-N 2 2 412.553 4.010 20 0 HIADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000542303609 939792076 /nfs/dbraw/zinc/79/20/76/939792076.db2.gz NIGAPFRAPLBGRO-INIZCTEOSA-N 2 2 403.511 4.432 20 0 HIADLP CC(C)CN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000542356427 939806696 /nfs/dbraw/zinc/80/66/96/939806696.db2.gz PERMBLUDXIGVRT-HXUWFJFHSA-N 2 2 400.611 4.072 20 0 HIADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000543040414 939903406 /nfs/dbraw/zinc/90/34/06/939903406.db2.gz JDGOERPZZRTNKO-OAQYLSRUSA-N 2 2 423.605 4.311 20 0 HIADLP Cc1ccc2[nH]cc(CCC(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000543109603 939950438 /nfs/dbraw/zinc/95/04/38/939950438.db2.gz XCNDAGRJGJNISJ-JWQCQUIFSA-N 2 2 424.633 4.205 20 0 HIADLP Cc1ccc2[nH]cc(CCC(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000543109603 939950445 /nfs/dbraw/zinc/95/04/45/939950445.db2.gz XCNDAGRJGJNISJ-JWQCQUIFSA-N 2 2 424.633 4.205 20 0 HIADLP CN(C(=O)Cc1csc2ccccc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543109455 939950547 /nfs/dbraw/zinc/95/05/47/939950547.db2.gz NOMQFVFBPNILGU-FGZHOGPDSA-N 2 2 413.631 4.239 20 0 HIADLP CN(C(=O)Cc1csc2ccccc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543109455 939950551 /nfs/dbraw/zinc/95/05/51/939950551.db2.gz NOMQFVFBPNILGU-FGZHOGPDSA-N 2 2 413.631 4.239 20 0 HIADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543268087 940013304 /nfs/dbraw/zinc/01/33/04/940013304.db2.gz MWNODGJRESGFAL-VWNXMTODSA-N 2 2 420.601 4.447 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@H](c3ccccc3)c3ccc(F)cn3)[nH+]c2)CC1 ZINC000543429508 940061815 /nfs/dbraw/zinc/06/18/15/940061815.db2.gz LVXNKWRMECOZBT-XMMPIXPASA-N 2 2 405.521 4.348 20 0 HIADLP O=C(NCc1ccccc1)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000543769940 940181205 /nfs/dbraw/zinc/18/12/05/940181205.db2.gz NFYALUICAGZQON-SANMLTNESA-N 2 2 419.613 4.301 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543988691 940284671 /nfs/dbraw/zinc/28/46/71/940284671.db2.gz WTSFDLXSCLOQEH-ZWKOTPCHSA-N 2 2 402.970 4.295 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543990134 940286355 /nfs/dbraw/zinc/28/63/55/940286355.db2.gz QNGHWQYCMQEKQW-NRFANRHFSA-N 2 2 408.590 4.203 20 0 HIADLP CN(C(=O)c1cc2sccc2s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000544036554 940306748 /nfs/dbraw/zinc/30/67/48/940306748.db2.gz YDGVYVMYHGQOQS-IAGOWNOFSA-N 2 2 405.633 4.372 20 0 HIADLP CN(C(=O)c1cc2sccc2s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000544036554 940306754 /nfs/dbraw/zinc/30/67/54/940306754.db2.gz YDGVYVMYHGQOQS-IAGOWNOFSA-N 2 2 405.633 4.372 20 0 HIADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cc2c(cc1Br)OCCO2 ZINC000544186566 940348124 /nfs/dbraw/zinc/34/81/24/940348124.db2.gz DZZZFMNXUBCEKQ-LBPRGKRZSA-N 2 2 420.332 4.318 20 0 HIADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000544386201 940408276 /nfs/dbraw/zinc/40/82/76/940408276.db2.gz RLDNCRYAZVEXET-UKILVPOCSA-N 2 2 405.517 4.057 20 0 HIADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000544386201 940408277 /nfs/dbraw/zinc/40/82/77/940408277.db2.gz RLDNCRYAZVEXET-UKILVPOCSA-N 2 2 405.517 4.057 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cs2)cc1 ZINC000544424828 940423201 /nfs/dbraw/zinc/42/32/01/940423201.db2.gz LIWCDHZBHGKKAQ-LPHOPBHVSA-N 2 2 413.587 4.339 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cs2)cc1 ZINC000544424828 940423203 /nfs/dbraw/zinc/42/32/03/940423203.db2.gz LIWCDHZBHGKKAQ-LPHOPBHVSA-N 2 2 413.587 4.339 20 0 HIADLP CN(C(=O)c1ccc(F)c(Cl)c1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000545477854 940571527 /nfs/dbraw/zinc/57/15/27/940571527.db2.gz CHKUAYAEJRJYOX-ZWKOTPCHSA-N 2 2 413.940 4.027 20 0 HIADLP CN(C(=O)c1ccc(F)c(Cl)c1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000545477854 940571528 /nfs/dbraw/zinc/57/15/28/940571528.db2.gz CHKUAYAEJRJYOX-ZWKOTPCHSA-N 2 2 413.940 4.027 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000564007404 945346212 /nfs/dbraw/zinc/34/62/12/945346212.db2.gz COULEEAFGMBIRI-QIGHUWCUSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000564007404 945346228 /nfs/dbraw/zinc/34/62/28/945346228.db2.gz COULEEAFGMBIRI-QIGHUWCUSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000564007404 945346238 /nfs/dbraw/zinc/34/62/38/945346238.db2.gz COULEEAFGMBIRI-QIGHUWCUSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564007404 945346251 /nfs/dbraw/zinc/34/62/51/945346251.db2.gz COULEEAFGMBIRI-QIGHUWCUSA-N 3 2 406.618 4.184 20 0 HIADLP C[C@H](CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546667077 940867591 /nfs/dbraw/zinc/86/75/91/940867591.db2.gz CIORXFRKFXCKDP-AGILITTLSA-N 2 2 414.638 4.159 20 0 HIADLP C[C@H](CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546667077 940867592 /nfs/dbraw/zinc/86/75/92/940867592.db2.gz CIORXFRKFXCKDP-AGILITTLSA-N 2 2 414.638 4.159 20 0 HIADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548931843 941130335 /nfs/dbraw/zinc/13/03/35/941130335.db2.gz DLVSHUARUPMHRT-LJQANCHMSA-N 2 2 420.022 4.250 20 0 HIADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548931843 941130336 /nfs/dbraw/zinc/13/03/36/941130336.db2.gz DLVSHUARUPMHRT-LJQANCHMSA-N 2 2 420.022 4.250 20 0 HIADLP Cc1ccc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c(-c2ccnn2C)c1 ZINC000548984988 941138923 /nfs/dbraw/zinc/13/89/23/941138923.db2.gz WIKOWYTXJVNTHG-OAQYLSRUSA-N 2 2 418.585 4.385 20 0 HIADLP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000550887642 941379788 /nfs/dbraw/zinc/37/97/88/941379788.db2.gz XUKILHHSSZQTOP-XZOQPEGZSA-N 2 2 423.582 4.044 20 0 HIADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)C[C@@H]1c1ccccc1 ZINC000551007092 941394466 /nfs/dbraw/zinc/39/44/66/941394466.db2.gz CYTWMDNTMMRPKE-ILBGXUMGSA-N 2 2 417.553 4.465 20 0 HIADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)C[C@@H]1c1ccccc1 ZINC000551007092 941394470 /nfs/dbraw/zinc/39/44/70/941394470.db2.gz CYTWMDNTMMRPKE-ILBGXUMGSA-N 2 2 417.553 4.465 20 0 HIADLP Fc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)c2nnc[nH]2)cc1 ZINC000551030510 941397712 /nfs/dbraw/zinc/39/77/12/941397712.db2.gz SELWOWIKOLUGLM-NRFANRHFSA-N 2 2 413.928 4.188 20 0 HIADLP Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2nc(Cc3c[nH+]cn3C)no2)c1 ZINC000551031445 941398527 /nfs/dbraw/zinc/39/85/27/941398527.db2.gz BONAVODXPQSMIP-PKTZIBPZSA-N 2 2 413.525 4.086 20 0 HIADLP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2nc(Cc3c[nH+]cn3C)no2)c1 ZINC000551031445 941398531 /nfs/dbraw/zinc/39/85/31/941398531.db2.gz BONAVODXPQSMIP-PKTZIBPZSA-N 2 2 413.525 4.086 20 0 HIADLP CC[C@@H]([NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccc(C(=O)OC)cc1 ZINC000551051608 941401422 /nfs/dbraw/zinc/40/14/22/941401422.db2.gz SLXYVEIFJLQZMQ-AUSIDOKSSA-N 2 2 410.558 4.414 20 0 HIADLP CSC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000551273769 941441008 /nfs/dbraw/zinc/44/10/08/941441008.db2.gz ALYZUKJFUGCQHA-RTWAWAEBSA-N 2 2 424.532 4.118 20 0 HIADLP CSC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000551273769 941441012 /nfs/dbraw/zinc/44/10/12/941441012.db2.gz ALYZUKJFUGCQHA-RTWAWAEBSA-N 2 2 424.532 4.118 20 0 HIADLP Clc1ccc(C2([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CCOCC2)cc1 ZINC000551387840 941466812 /nfs/dbraw/zinc/46/68/12/941466812.db2.gz WGNIXGMVLRYJLE-HSZRJFAPSA-N 2 2 414.977 4.226 20 0 HIADLP Clc1ccc(C2([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CCOCC2)cc1 ZINC000551387840 941466814 /nfs/dbraw/zinc/46/68/14/941466814.db2.gz WGNIXGMVLRYJLE-HSZRJFAPSA-N 2 2 414.977 4.226 20 0 HIADLP C[C@H](CC[NH+]1CCC(F)(c2cccnc2)CC1)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000551747866 941537714 /nfs/dbraw/zinc/53/77/14/941537714.db2.gz HCSZQAYWAYHNFI-HXUWFJFHSA-N 2 2 414.544 4.477 20 0 HIADLP CCC[NH+]1CCC([NH2+][C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)CC1 ZINC000552337014 941636160 /nfs/dbraw/zinc/63/61/60/941636160.db2.gz MSEXXAZKMPTCFW-IBGZPJMESA-N 2 2 422.411 4.025 20 0 HIADLP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000552338715 941638110 /nfs/dbraw/zinc/63/81/10/941638110.db2.gz NPMYHWMIEZQJRH-SMLSOGCJSA-N 2 2 411.512 4.076 20 0 HIADLP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000552338715 941638111 /nfs/dbraw/zinc/63/81/11/941638111.db2.gz NPMYHWMIEZQJRH-SMLSOGCJSA-N 2 2 411.512 4.076 20 0 HIADLP CSCc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000553276143 941859711 /nfs/dbraw/zinc/85/97/11/941859711.db2.gz KGNPSCMZOLKSHT-VXKWHMMOSA-N 2 2 418.651 4.351 20 0 HIADLP CSCc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000553276143 941859714 /nfs/dbraw/zinc/85/97/14/941859714.db2.gz KGNPSCMZOLKSHT-VXKWHMMOSA-N 2 2 418.651 4.351 20 0 HIADLP CC(C)Oc1ccc([C@@H](CNC2CC[NH+](CCC(F)(F)F)CC2)[NH+](C)C)cc1 ZINC000554088202 942034030 /nfs/dbraw/zinc/03/40/30/942034030.db2.gz LVLWUJDMQVZWPN-HXUWFJFHSA-N 2 2 401.517 4.083 20 0 HIADLP C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@H](c1ccccc1)[NH+](C)C ZINC000554385603 942121795 /nfs/dbraw/zinc/12/17/95/942121795.db2.gz FNQJGNQRNCBJIP-FUHIMQAGSA-N 2 2 415.607 4.188 20 0 HIADLP C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@H](c1ccccc1)[NH+](C)C ZINC000554385603 942121797 /nfs/dbraw/zinc/12/17/97/942121797.db2.gz FNQJGNQRNCBJIP-FUHIMQAGSA-N 2 2 415.607 4.188 20 0 HIADLP CCc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[NH+](CC)CC)cc1 ZINC000554452708 942148997 /nfs/dbraw/zinc/14/89/97/942148997.db2.gz FRBOREVAOWNXKT-OFNKIYASSA-N 2 2 410.606 4.400 20 0 HIADLP CCc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[NH+](CC)CC)cc1 ZINC000554452708 942149000 /nfs/dbraw/zinc/14/90/00/942149000.db2.gz FRBOREVAOWNXKT-OFNKIYASSA-N 2 2 410.606 4.400 20 0 HIADLP C[NH+](C)CCCCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000554556813 942167268 /nfs/dbraw/zinc/16/72/68/942167268.db2.gz DSRICGJIENSESP-DEOSSOPVSA-N 2 2 413.993 4.306 20 0 HIADLP C[C@H](c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000554838887 942276204 /nfs/dbraw/zinc/27/62/04/942276204.db2.gz PBPJUPCPXJEMNC-JLGINSKQSA-N 2 2 410.562 4.011 20 0 HIADLP C[C@H](c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000554838887 942276214 /nfs/dbraw/zinc/27/62/14/942276214.db2.gz PBPJUPCPXJEMNC-JLGINSKQSA-N 2 2 410.562 4.011 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000554961105 942335255 /nfs/dbraw/zinc/33/52/55/942335255.db2.gz SHLQOFJWVPDPFP-YPIGPJMWSA-N 2 2 423.626 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000554961105 942335260 /nfs/dbraw/zinc/33/52/60/942335260.db2.gz SHLQOFJWVPDPFP-YPIGPJMWSA-N 2 2 423.626 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000554961105 942335265 /nfs/dbraw/zinc/33/52/65/942335265.db2.gz SHLQOFJWVPDPFP-YPIGPJMWSA-N 2 2 423.626 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000554961105 942335266 /nfs/dbraw/zinc/33/52/66/942335266.db2.gz SHLQOFJWVPDPFP-YPIGPJMWSA-N 2 2 423.626 4.254 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000555040591 942367250 /nfs/dbraw/zinc/36/72/50/942367250.db2.gz RRRWLIFWMVAVIH-OZXSUGGESA-N 2 2 402.538 4.452 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000555040591 942367257 /nfs/dbraw/zinc/36/72/57/942367257.db2.gz RRRWLIFWMVAVIH-OZXSUGGESA-N 2 2 402.538 4.452 20 0 HIADLP CCC1(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000555364352 942496458 /nfs/dbraw/zinc/49/64/58/942496458.db2.gz ZOJROBTWXBRHMQ-GMAHTHKFSA-N 2 2 423.605 4.168 20 0 HIADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000555871195 942760736 /nfs/dbraw/zinc/76/07/36/942760736.db2.gz WCCKUDDXZYCMQT-PMACEKPBSA-N 2 2 421.589 4.481 20 0 HIADLP Clc1ccccc1OC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000556501890 942886410 /nfs/dbraw/zinc/88/64/10/942886410.db2.gz ZHQCFTIPVUBKKL-QFIPXVFZSA-N 2 2 414.977 4.474 20 0 HIADLP Clc1ccccc1OC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000556501890 942886416 /nfs/dbraw/zinc/88/64/16/942886416.db2.gz ZHQCFTIPVUBKKL-QFIPXVFZSA-N 2 2 414.977 4.474 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000557341022 943078036 /nfs/dbraw/zinc/07/80/36/943078036.db2.gz ABURZBKFTXOCKB-JOCHJYFZSA-N 2 2 410.949 4.398 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000557341022 943078045 /nfs/dbraw/zinc/07/80/45/943078045.db2.gz ABURZBKFTXOCKB-JOCHJYFZSA-N 2 2 410.949 4.398 20 0 HIADLP COc1ccc(Cl)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000557691695 943260083 /nfs/dbraw/zinc/26/00/83/943260083.db2.gz LAHBGWVKRQZERC-RTWAWAEBSA-N 2 2 423.001 4.150 20 0 HIADLP COc1ccc(Cl)c(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000557691695 943260092 /nfs/dbraw/zinc/26/00/92/943260092.db2.gz LAHBGWVKRQZERC-RTWAWAEBSA-N 2 2 423.001 4.150 20 0 HIADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Br)c1 ZINC000558407759 943552031 /nfs/dbraw/zinc/55/20/31/943552031.db2.gz ZTJRDZIEUJNMOD-INIZCTEOSA-N 2 2 404.352 4.370 20 0 HIADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(Br)c1 ZINC000558407759 943552035 /nfs/dbraw/zinc/55/20/35/943552035.db2.gz ZTJRDZIEUJNMOD-INIZCTEOSA-N 2 2 404.352 4.370 20 0 HIADLP O=C(c1ccc2c[nH+]cn2c1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000559538814 943996596 /nfs/dbraw/zinc/99/65/96/943996596.db2.gz OOTSHVLSDIUHCW-UHFFFAOYSA-N 2 2 420.513 4.160 20 0 HIADLP CCc1ccc2occ(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000560599220 944269882 /nfs/dbraw/zinc/26/98/82/944269882.db2.gz REQUCGDCOFGJRF-XZOQPEGZSA-N 2 2 411.590 4.404 20 0 HIADLP CCc1ccc2occ(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000560599220 944269888 /nfs/dbraw/zinc/26/98/88/944269888.db2.gz REQUCGDCOFGJRF-XZOQPEGZSA-N 2 2 411.590 4.404 20 0 HIADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC(OCC4CCCCC4)CC3)C2)cc1 ZINC000564233033 945450800 /nfs/dbraw/zinc/45/08/00/945450800.db2.gz PFGCQFBTENIIEQ-VWLOTQADSA-N 2 2 400.607 4.339 20 0 HIADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC(OCC4CCCCC4)CC3)C2)cc1 ZINC000564233033 945450818 /nfs/dbraw/zinc/45/08/18/945450818.db2.gz PFGCQFBTENIIEQ-VWLOTQADSA-N 2 2 400.607 4.339 20 0 HIADLP COc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)o2)cc1 ZINC000564404243 945557831 /nfs/dbraw/zinc/55/78/31/945557831.db2.gz NXNCGIALZNZRJY-VXKWHMMOSA-N 2 2 403.526 4.304 20 0 HIADLP COc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)o2)cc1 ZINC000564404243 945557834 /nfs/dbraw/zinc/55/78/34/945557834.db2.gz NXNCGIALZNZRJY-VXKWHMMOSA-N 2 2 403.526 4.304 20 0 HIADLP COc1ccc(-c2cnc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)o2)cc1 ZINC000564404243 945557837 /nfs/dbraw/zinc/55/78/37/945557837.db2.gz NXNCGIALZNZRJY-VXKWHMMOSA-N 2 2 403.526 4.304 20 0 HIADLP COc1ccc(-c2cnc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)o2)cc1 ZINC000564404243 945557839 /nfs/dbraw/zinc/55/78/39/945557839.db2.gz NXNCGIALZNZRJY-VXKWHMMOSA-N 2 2 403.526 4.304 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c2nccc(C)c2c1 ZINC000564672777 945722647 /nfs/dbraw/zinc/72/26/47/945722647.db2.gz DJKKTCUFTDHRSX-BJKOFHAPSA-N 2 2 422.617 4.261 20 0 HIADLP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c2nccc(C)c2c1 ZINC000564672777 945722657 /nfs/dbraw/zinc/72/26/57/945722657.db2.gz DJKKTCUFTDHRSX-BJKOFHAPSA-N 2 2 422.617 4.261 20 0 HIADLP COc1cc2cc[nH+]c(N3CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC3)c2cc1F ZINC000564750602 945747997 /nfs/dbraw/zinc/74/79/97/945747997.db2.gz PZQFKJJKYMGIJH-QGZVFWFLSA-N 2 2 417.525 4.015 20 0 HIADLP COc1cc2cc[nH+]c(N3CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC3)c2cc1F ZINC000564750602 945748002 /nfs/dbraw/zinc/74/80/02/945748002.db2.gz PZQFKJJKYMGIJH-QGZVFWFLSA-N 2 2 417.525 4.015 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000566346334 946006612 /nfs/dbraw/zinc/00/66/12/946006612.db2.gz QMLLVQBOMVPFBC-UHFFFAOYSA-N 2 2 413.871 4.122 20 0 HIADLP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000566997103 946209335 /nfs/dbraw/zinc/20/93/35/946209335.db2.gz UERFHPXEDGSCAK-VWLOTQADSA-N 2 2 419.569 4.355 20 0 HIADLP O=C(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000567179387 946261412 /nfs/dbraw/zinc/26/14/12/946261412.db2.gz WBUUUUMDSLGSOG-UHFFFAOYSA-N 2 2 406.383 4.149 20 0 HIADLP COc1cc(F)c([C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1OC ZINC000569643869 946917155 /nfs/dbraw/zinc/91/71/55/946917155.db2.gz QQCTWEXPZFDUGM-MRXNPFEDSA-N 2 2 404.501 4.340 20 0 HIADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000569711678 946950987 /nfs/dbraw/zinc/95/09/87/946950987.db2.gz KGGDURHGKGMCQZ-BWKNWUBXSA-N 2 2 419.613 4.211 20 0 HIADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000569711678 946951036 /nfs/dbraw/zinc/95/10/36/946951036.db2.gz KGGDURHGKGMCQZ-BWKNWUBXSA-N 2 2 419.613 4.211 20 0 HIADLP COCCSc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570348873 947210761 /nfs/dbraw/zinc/21/07/61/947210761.db2.gz DQNHQHCWRNMQMP-OFNKIYASSA-N 2 2 414.615 4.367 20 0 HIADLP COCCSc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570348873 947210795 /nfs/dbraw/zinc/21/07/95/947210795.db2.gz DQNHQHCWRNMQMP-OFNKIYASSA-N 2 2 414.615 4.367 20 0 HIADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000573604914 948248155 /nfs/dbraw/zinc/24/81/55/948248155.db2.gz PYBJHMASSWBLKN-ROUUACIJSA-N 2 2 400.592 4.095 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N[C@H](C)c3ccccc3Cl)C2)s1 ZINC000574486316 948456804 /nfs/dbraw/zinc/45/68/04/948456804.db2.gz ZMKUVMSVQBUZDR-MSOLQXFVSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N[C@H](C)c3ccccc3Cl)C2)s1 ZINC000574486316 948456808 /nfs/dbraw/zinc/45/68/08/948456808.db2.gz ZMKUVMSVQBUZDR-MSOLQXFVSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@H](C)c3ccccc3Cl)C2)s1 ZINC000574486316 948456812 /nfs/dbraw/zinc/45/68/12/948456812.db2.gz ZMKUVMSVQBUZDR-MSOLQXFVSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@H](C)c3ccccc3Cl)C2)s1 ZINC000574486316 948456816 /nfs/dbraw/zinc/45/68/16/948456816.db2.gz ZMKUVMSVQBUZDR-MSOLQXFVSA-N 2 2 420.022 4.341 20 0 HIADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(NCC4CC4)c(C)c[nH+]2)CC3)cs1 ZINC001164694540 719802921 /nfs/dbraw/zinc/80/29/21/719802921.db2.gz ZPECTILSWNDZMQ-UHFFFAOYSA-N 2 2 412.607 4.007 20 0 HIADLP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(NCC4CC4)c(C)c[nH+]2)CC3)cs1 ZINC001164694540 719802922 /nfs/dbraw/zinc/80/29/22/719802922.db2.gz ZPECTILSWNDZMQ-UHFFFAOYSA-N 2 2 412.607 4.007 20 0 HIADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccccc3[nH+]1)CC2 ZINC001164719059 720114944 /nfs/dbraw/zinc/11/49/44/720114944.db2.gz UZEXMSOUNXZRHE-QFIPXVFZSA-N 2 2 416.569 4.446 20 0 HIADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccccc3[nH+]1)CC2 ZINC001164719059 720114945 /nfs/dbraw/zinc/11/49/45/720114945.db2.gz UZEXMSOUNXZRHE-QFIPXVFZSA-N 2 2 416.569 4.446 20 0 HIADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]c(C)cc4ccccc43)C2)C1 ZINC001164787068 721359597 /nfs/dbraw/zinc/35/95/97/721359597.db2.gz YDVCYFUVHNAKKP-VWLOTQADSA-N 2 2 420.557 4.267 20 0 HIADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]c(C)cc4ccccc43)C2)C1 ZINC001164787068 721359599 /nfs/dbraw/zinc/35/95/99/721359599.db2.gz YDVCYFUVHNAKKP-VWLOTQADSA-N 2 2 420.557 4.267 20 0 HIADLP CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C(C)C)cc1 ZINC000007873013 845437365 /nfs/dbraw/zinc/43/73/65/845437365.db2.gz HURSWIZRNKCYKQ-VWLOTQADSA-N 2 2 409.574 4.007 20 0 HIADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000023479859 846705258 /nfs/dbraw/zinc/70/52/58/846705258.db2.gz ZACZINWSEGVIPJ-NRFANRHFSA-N 2 2 420.557 4.130 20 0 HIADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000023479859 846705272 /nfs/dbraw/zinc/70/52/72/846705272.db2.gz ZACZINWSEGVIPJ-NRFANRHFSA-N 2 2 420.557 4.130 20 0 HIADLP Cc1sc2nc([C@H](C)[NH2+]Cc3ccccc3C[NH+]3CCCCC3)[nH]c(=O)c2c1C ZINC000025702457 847022505 /nfs/dbraw/zinc/02/25/05/847022505.db2.gz DHCNZGIDOGEAGK-INIZCTEOSA-N 2 2 410.587 4.438 20 0 HIADLP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1OCc1ccncc1 ZINC000047751869 849103954 /nfs/dbraw/zinc/10/39/54/849103954.db2.gz PQZXTXURFKKVQE-UHFFFAOYSA-N 2 2 418.472 4.284 20 0 HIADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)cc2)n1 ZINC000048748049 849263479 /nfs/dbraw/zinc/26/34/79/849263479.db2.gz GTULJOPZUHKJMK-UHFFFAOYSA-N 2 2 415.463 4.040 20 0 HIADLP CC(C)c1ccc([C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000051759361 849513215 /nfs/dbraw/zinc/51/32/15/849513215.db2.gz SNWHYEZKTPDXHV-XMMPIXPASA-N 2 2 414.638 4.365 20 0 HIADLP CCCc1ccc([C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)C)cc1 ZINC000051759309 849513698 /nfs/dbraw/zinc/51/36/98/849513698.db2.gz FZVOEHQTFHPXPC-DEOSSOPVSA-N 2 2 414.638 4.194 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000053144388 849671493 /nfs/dbraw/zinc/67/14/93/849671493.db2.gz FNTASCHBRRSBTR-FQEVSTJZSA-N 2 2 402.542 4.093 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)C1 ZINC000053144388 849671499 /nfs/dbraw/zinc/67/14/99/849671499.db2.gz FNTASCHBRRSBTR-FQEVSTJZSA-N 2 2 402.542 4.093 20 0 HIADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000056562694 850394458 /nfs/dbraw/zinc/39/44/58/850394458.db2.gz HVRLQOIKOLGQFA-UHFFFAOYSA-N 2 2 419.639 4.249 20 0 HIADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000056562694 850394471 /nfs/dbraw/zinc/39/44/71/850394471.db2.gz HVRLQOIKOLGQFA-UHFFFAOYSA-N 2 2 419.639 4.249 20 0 HIADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000056764351 850472319 /nfs/dbraw/zinc/47/23/19/850472319.db2.gz WMLUUHCOGMIHKJ-UHFFFAOYSA-N 2 2 412.603 4.126 20 0 HIADLP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000437017885 862197621 /nfs/dbraw/zinc/19/76/21/862197621.db2.gz QUDMPDLANNDOBX-DQEYMECFSA-N 2 2 419.573 4.062 20 0 HIADLP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000437017885 862197631 /nfs/dbraw/zinc/19/76/31/862197631.db2.gz QUDMPDLANNDOBX-DQEYMECFSA-N 2 2 419.573 4.062 20 0 HIADLP CC(C)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(Cl)c1 ZINC000059038137 850982658 /nfs/dbraw/zinc/98/26/58/850982658.db2.gz ZZQMYLVIUYJMDM-UHFFFAOYSA-N 2 2 415.965 4.021 20 0 HIADLP CC(C)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(Cl)c1 ZINC000059038137 850982666 /nfs/dbraw/zinc/98/26/66/850982666.db2.gz ZZQMYLVIUYJMDM-UHFFFAOYSA-N 2 2 415.965 4.021 20 0 HIADLP CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)CC1 ZINC000059951661 851027276 /nfs/dbraw/zinc/02/72/76/851027276.db2.gz OLVBREHLUMFRHJ-HXUWFJFHSA-N 2 2 412.603 4.226 20 0 HIADLP CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000059951661 851027284 /nfs/dbraw/zinc/02/72/84/851027284.db2.gz OLVBREHLUMFRHJ-HXUWFJFHSA-N 2 2 412.603 4.226 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1C ZINC000060545060 851141211 /nfs/dbraw/zinc/14/12/11/851141211.db2.gz UIEJBHMLOCHRGO-UHFFFAOYSA-N 2 2 424.589 4.281 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1C ZINC000060545071 851141265 /nfs/dbraw/zinc/14/12/65/851141265.db2.gz ZLTKXPBRODNKEZ-LJQANCHMSA-N 2 2 424.589 4.423 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1C ZINC000060545071 851141266 /nfs/dbraw/zinc/14/12/66/851141266.db2.gz ZLTKXPBRODNKEZ-LJQANCHMSA-N 2 2 424.589 4.423 20 0 HIADLP CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000064940690 852027303 /nfs/dbraw/zinc/02/73/03/852027303.db2.gz DMPFQSUUDMXEER-HXUWFJFHSA-N 2 2 420.557 4.340 20 0 HIADLP CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000064940690 852027313 /nfs/dbraw/zinc/02/73/13/852027313.db2.gz DMPFQSUUDMXEER-HXUWFJFHSA-N 2 2 420.557 4.340 20 0 HIADLP O=S(=O)(CC[NH+]1CCC[C@H]1c1ccccc1)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000109316989 852951283 /nfs/dbraw/zinc/95/12/83/852951283.db2.gz IBFWCSCPAXGEAO-PSWAGMNNSA-N 2 2 412.599 4.075 20 0 HIADLP O=S(=O)(CC[NH+]1CCC[C@H]1c1ccccc1)CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000109316989 852951288 /nfs/dbraw/zinc/95/12/88/852951288.db2.gz IBFWCSCPAXGEAO-PSWAGMNNSA-N 2 2 412.599 4.075 20 0 HIADLP O=S(=O)(CC[NH+]1CCC[C@@H]1c1ccccc1)CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000109316989 852951296 /nfs/dbraw/zinc/95/12/96/852951296.db2.gz IBFWCSCPAXGEAO-PSWAGMNNSA-N 2 2 412.599 4.075 20 0 HIADLP O=S(=O)(CC[NH+]1CCC[C@@H]1c1ccccc1)CC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000109316989 852951304 /nfs/dbraw/zinc/95/13/04/852951304.db2.gz IBFWCSCPAXGEAO-PSWAGMNNSA-N 2 2 412.599 4.075 20 0 HIADLP O=C(C[N@H+](Cc1ccco1)C1CCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109694615 853000505 /nfs/dbraw/zinc/00/05/05/853000505.db2.gz CMUQWIGTIWDECR-UHFFFAOYSA-N 2 2 413.587 4.212 20 0 HIADLP O=C(C[N@@H+](Cc1ccco1)C1CCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000109694615 853000514 /nfs/dbraw/zinc/00/05/14/853000514.db2.gz CMUQWIGTIWDECR-UHFFFAOYSA-N 2 2 413.587 4.212 20 0 HIADLP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](Cn3cc[nH+]c3)C(C)(C)C)c2)cc1 ZINC000116737857 853331431 /nfs/dbraw/zinc/33/14/31/853331431.db2.gz NAYITHYERFCPDQ-JOCHJYFZSA-N 2 2 406.530 4.349 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)CC1 ZINC000215979912 853841416 /nfs/dbraw/zinc/84/14/16/853841416.db2.gz HKVWQYYVMWYRCE-UHFFFAOYSA-N 2 2 408.546 4.159 20 0 HIADLP Brc1ccc(-c2c[nH]c(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000236624024 853904117 /nfs/dbraw/zinc/90/41/17/853904117.db2.gz TVFSFCAGNKWNDY-UHFFFAOYSA-N 2 2 422.330 4.374 20 0 HIADLP CCCOc1c(Br)cc(Br)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000236903510 853934952 /nfs/dbraw/zinc/93/49/52/853934952.db2.gz BLRQUWSWOJBHKH-UHFFFAOYSA-N 2 2 420.189 4.184 20 0 HIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000237143365 853971348 /nfs/dbraw/zinc/97/13/48/853971348.db2.gz UTBOJXXCEZLINJ-UHFFFAOYSA-N 2 2 407.480 4.452 20 0 HIADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(OCC(F)(F)F)cc3)CC2)cc1 ZINC000237143017 853971620 /nfs/dbraw/zinc/97/16/20/853971620.db2.gz XXSWPCHDIALNDR-UHFFFAOYSA-N 2 2 407.480 4.452 20 0 HIADLP COc1cc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)ccc1OCC(F)(F)F ZINC000237246997 853990062 /nfs/dbraw/zinc/99/00/62/853990062.db2.gz NBRGEBWBYDYMRI-UHFFFAOYSA-N 2 2 405.420 4.171 20 0 HIADLP COc1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)ccc1OC(F)F ZINC000237362510 854014685 /nfs/dbraw/zinc/01/46/85/854014685.db2.gz FRDUAESIQBVIBX-UHFFFAOYSA-N 2 2 405.489 4.121 20 0 HIADLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000237431852 854032367 /nfs/dbraw/zinc/03/23/67/854032367.db2.gz HBKLTURVKKMKOQ-LPHOPBHVSA-N 2 2 423.479 4.032 20 0 HIADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000237431852 854032374 /nfs/dbraw/zinc/03/23/74/854032374.db2.gz HBKLTURVKKMKOQ-LPHOPBHVSA-N 2 2 423.479 4.032 20 0 HIADLP Cc1cc(C[NH+]2CCN(c3c(C)c(C)[nH+]c4ccc(Br)cc43)CC2)on1 ZINC000301348715 854367128 /nfs/dbraw/zinc/36/71/28/854367128.db2.gz IZACCUILOHDWHI-UHFFFAOYSA-N 2 2 415.335 4.233 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303026687 854728841 /nfs/dbraw/zinc/72/88/41/854728841.db2.gz OJERPCVUXXTGRW-ZCNNSNEGSA-N 2 2 406.014 4.350 20 0 HIADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000303026687 854728847 /nfs/dbraw/zinc/72/88/47/854728847.db2.gz OJERPCVUXXTGRW-ZCNNSNEGSA-N 2 2 406.014 4.350 20 0 HIADLP Brc1ccc2c(N[C@H](C[NH+]3CCOCC3)c3ccccc3)cc[nH+]c2c1 ZINC000303687839 855133051 /nfs/dbraw/zinc/13/30/51/855133051.db2.gz UKHUHELPINADMI-OAQYLSRUSA-N 2 2 412.331 4.483 20 0 HIADLP CC(C)=CCSc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000303969441 855329734 /nfs/dbraw/zinc/32/97/34/855329734.db2.gz RZMRITCQQRNMEZ-UHFFFAOYSA-N 2 2 415.647 4.425 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379657511 855425889 /nfs/dbraw/zinc/42/58/89/855425889.db2.gz TUFYWOLUUXTGGH-UZLBHIALSA-N 2 2 416.363 4.030 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379657511 855425891 /nfs/dbraw/zinc/42/58/91/855425891.db2.gz TUFYWOLUUXTGGH-UZLBHIALSA-N 2 2 416.363 4.030 20 0 HIADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC000387509920 855444918 /nfs/dbraw/zinc/44/49/18/855444918.db2.gz YQJJGQJGBUPRFB-NHCUHLMSSA-N 2 2 401.595 4.467 20 0 HIADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC000387509920 855444921 /nfs/dbraw/zinc/44/49/21/855444921.db2.gz YQJJGQJGBUPRFB-NHCUHLMSSA-N 2 2 401.595 4.467 20 0 HIADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000410109798 855824380 /nfs/dbraw/zinc/82/43/80/855824380.db2.gz YVOVBGCYEGDGSO-QHCPKHFHSA-N 2 2 402.542 4.075 20 0 HIADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410262548 855887757 /nfs/dbraw/zinc/88/77/57/855887757.db2.gz DXDNVODYIBUPJK-JOCHJYFZSA-N 2 2 406.574 4.225 20 0 HIADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)nc[nH+]1 ZINC000426045889 856071025 /nfs/dbraw/zinc/07/10/25/856071025.db2.gz OSTPKQVCHOYIGC-SFTDATJTSA-N 2 2 422.964 4.109 20 0 HIADLP COc1ccc(CC[C@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1O ZINC000426172879 856152934 /nfs/dbraw/zinc/15/29/34/856152934.db2.gz QBIKFUOCGSRWMA-PMACEKPBSA-N 2 2 412.574 4.212 20 0 HIADLP Cc1ccc([C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000426304542 856233889 /nfs/dbraw/zinc/23/38/89/856233889.db2.gz CWACNSFDVCYYPR-KMDXXIMOSA-N 2 2 417.557 4.022 20 0 HIADLP CC(C)[N@@H+]1CCc2nc(C[NH+](Cc3ccc(F)cc3)C3CCOCC3)sc2C1 ZINC000426400239 856275994 /nfs/dbraw/zinc/27/59/94/856275994.db2.gz BZEBDHVDIYIOBP-UHFFFAOYSA-N 2 2 403.567 4.230 20 0 HIADLP CC(C)[N@H+]1CCc2nc(C[NH+](Cc3ccc(F)cc3)C3CCOCC3)sc2C1 ZINC000426400239 856276000 /nfs/dbraw/zinc/27/60/00/856276000.db2.gz BZEBDHVDIYIOBP-UHFFFAOYSA-N 2 2 403.567 4.230 20 0 HIADLP CC(C)[NH+]1CCc2nc(C[N@H+](Cc3ccc(F)cc3)C3CCOCC3)sc2C1 ZINC000426400239 856276004 /nfs/dbraw/zinc/27/60/04/856276004.db2.gz BZEBDHVDIYIOBP-UHFFFAOYSA-N 2 2 403.567 4.230 20 0 HIADLP CC(C)[NH+]1CCc2nc(C[N@@H+](Cc3ccc(F)cc3)C3CCOCC3)sc2C1 ZINC000426400239 856276010 /nfs/dbraw/zinc/27/60/10/856276010.db2.gz BZEBDHVDIYIOBP-UHFFFAOYSA-N 2 2 403.567 4.230 20 0 HIADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ncc(Br)cc1F ZINC000427872787 856989681 /nfs/dbraw/zinc/98/96/81/856989681.db2.gz JVQKATXOUGFWFJ-ZDUSSCGKSA-N 2 2 422.346 4.082 20 0 HIADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+]C3(c4cccc(Cl)c4)CC3)n2)CC1 ZINC000428318169 857151049 /nfs/dbraw/zinc/15/10/49/857151049.db2.gz AGKKKFHXRDRWLN-UHFFFAOYSA-N 2 2 418.994 4.246 20 0 HIADLP CC[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000437577223 862896328 /nfs/dbraw/zinc/89/63/28/862896328.db2.gz JKYPWQQTNRPDHV-NRFANRHFSA-N 2 2 421.507 4.242 20 0 HIADLP CC[N@@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000437577223 862896330 /nfs/dbraw/zinc/89/63/30/862896330.db2.gz JKYPWQQTNRPDHV-NRFANRHFSA-N 2 2 421.507 4.242 20 0 HIADLP Cc1[nH+]ccn1CCC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000428811133 857355253 /nfs/dbraw/zinc/35/52/53/857355253.db2.gz ZLPSZICYPYXHEN-RUZDIDTESA-N 2 2 403.574 4.143 20 0 HIADLP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000428811133 857355262 /nfs/dbraw/zinc/35/52/62/857355262.db2.gz ZLPSZICYPYXHEN-RUZDIDTESA-N 2 2 403.574 4.143 20 0 HIADLP Cc1[nH+]ccn1CCCN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000428811133 857355267 /nfs/dbraw/zinc/35/52/67/857355267.db2.gz ZLPSZICYPYXHEN-RUZDIDTESA-N 2 2 403.574 4.143 20 0 HIADLP Cc1[nH+]ccn1CCCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000428811133 857355274 /nfs/dbraw/zinc/35/52/74/857355274.db2.gz ZLPSZICYPYXHEN-RUZDIDTESA-N 2 2 403.574 4.143 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000429231985 857565343 /nfs/dbraw/zinc/56/53/43/857565343.db2.gz JBACIZQFFOBZIN-OAHLLOKOSA-N 2 2 412.607 4.069 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000429231985 857565348 /nfs/dbraw/zinc/56/53/48/857565348.db2.gz JBACIZQFFOBZIN-OAHLLOKOSA-N 2 2 412.607 4.069 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000429230021 857565581 /nfs/dbraw/zinc/56/55/81/857565581.db2.gz VLMGBCBQPYJJFG-UHFFFAOYSA-N 2 2 420.517 4.371 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000429230021 857565588 /nfs/dbraw/zinc/56/55/88/857565588.db2.gz VLMGBCBQPYJJFG-UHFFFAOYSA-N 2 2 420.517 4.371 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429402069 857644759 /nfs/dbraw/zinc/64/47/59/857644759.db2.gz BOJGSYPOTYLZDS-RDPSFJRHSA-N 2 2 424.589 4.158 20 0 HIADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000429402069 857644767 /nfs/dbraw/zinc/64/47/67/857644767.db2.gz BOJGSYPOTYLZDS-RDPSFJRHSA-N 2 2 424.589 4.158 20 0 HIADLP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000429412394 857651887 /nfs/dbraw/zinc/65/18/87/857651887.db2.gz MPKQOJIAVLKKPE-FUHWJXTLSA-N 2 2 414.347 4.137 20 0 HIADLP C[NH+](C)[C@@H](CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)c1cccs1 ZINC000429944304 857961857 /nfs/dbraw/zinc/96/18/57/857961857.db2.gz OHNWQLZEEYNEHZ-IBGZPJMESA-N 2 2 409.559 4.372 20 0 HIADLP C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000429960607 857971167 /nfs/dbraw/zinc/97/11/67/857971167.db2.gz YPKZIWKLXGAOMH-UHFFFAOYSA-N 2 2 403.530 4.270 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000429963298 857972742 /nfs/dbraw/zinc/97/27/42/857972742.db2.gz DIOGNJJHSCMGDB-LJQANCHMSA-N 2 2 407.562 4.226 20 0 HIADLP C[N@H+](CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)Cc1ccccc1 ZINC000430094611 858029623 /nfs/dbraw/zinc/02/96/23/858029623.db2.gz MVLJAEFSFVSTCP-UHFFFAOYSA-N 2 2 421.614 4.146 20 0 HIADLP C[N@@H+](CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1)Cc1ccccc1 ZINC000430094611 858029632 /nfs/dbraw/zinc/02/96/32/858029632.db2.gz MVLJAEFSFVSTCP-UHFFFAOYSA-N 2 2 421.614 4.146 20 0 HIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CO)c2ccc(Br)c(F)c2)CC1 ZINC000430122495 858041162 /nfs/dbraw/zinc/04/11/62/858041162.db2.gz IBQKRMUWOKFVMV-JSNMRZPZSA-N 2 2 413.375 4.254 20 0 HIADLP CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000430828088 858320171 /nfs/dbraw/zinc/32/01/71/858320171.db2.gz RGLJPZGQGOXNOW-QHCPKHFHSA-N 2 2 419.569 4.355 20 0 HIADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000431349205 858574285 /nfs/dbraw/zinc/57/42/85/858574285.db2.gz KWTOLBNSCURMIA-JOCHJYFZSA-N 2 2 400.950 4.484 20 0 HIADLP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000433225269 859576692 /nfs/dbraw/zinc/57/66/92/859576692.db2.gz GZGNWVCYEBWOGU-FQEVSTJZSA-N 2 2 403.929 4.108 20 0 HIADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000433610641 859809055 /nfs/dbraw/zinc/80/90/55/859809055.db2.gz TXGJZGMGYMKAKV-WOJBJXKFSA-N 2 2 423.001 4.150 20 0 HIADLP COc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000433610641 859809060 /nfs/dbraw/zinc/80/90/60/859809060.db2.gz TXGJZGMGYMKAKV-WOJBJXKFSA-N 2 2 423.001 4.150 20 0 HIADLP C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434660578 860449406 /nfs/dbraw/zinc/44/94/06/860449406.db2.gz AFKHCHILORUEPR-OAHLLOKOSA-N 2 2 418.488 4.027 20 0 HIADLP Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2=O)c1 ZINC000434689967 860462979 /nfs/dbraw/zinc/46/29/79/860462979.db2.gz YIOBLKZKWQKWLO-OAQYLSRUSA-N 2 2 410.537 4.042 20 0 HIADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434689670 860463322 /nfs/dbraw/zinc/46/33/22/860463322.db2.gz XIDSEANGJUTSDO-AWEZNQCLSA-N 2 2 404.917 4.219 20 0 HIADLP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435505488 860826420 /nfs/dbraw/zinc/82/64/20/860826420.db2.gz OSYGKZYRHZCTTP-UHFFFAOYSA-N 2 2 423.605 4.034 20 0 HIADLP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000435505488 860826424 /nfs/dbraw/zinc/82/64/24/860826424.db2.gz OSYGKZYRHZCTTP-UHFFFAOYSA-N 2 2 423.605 4.034 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000438260920 863725607 /nfs/dbraw/zinc/72/56/07/863725607.db2.gz PMDRTBXEYPWQRM-UHFFFAOYSA-N 2 2 418.651 4.352 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000438260920 863725614 /nfs/dbraw/zinc/72/56/14/863725614.db2.gz PMDRTBXEYPWQRM-UHFFFAOYSA-N 2 2 418.651 4.352 20 0 HIADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)[C@@H]1c1cccs1 ZINC000439603232 864925735 /nfs/dbraw/zinc/92/57/35/864925735.db2.gz KGXJWQMYDXFHLI-YMPZKCBVSA-N 2 2 411.615 4.474 20 0 HIADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)[C@@H]1c1cccs1 ZINC000439603232 864925749 /nfs/dbraw/zinc/92/57/49/864925749.db2.gz KGXJWQMYDXFHLI-YMPZKCBVSA-N 2 2 411.615 4.474 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468048286 881875060 /nfs/dbraw/zinc/87/50/60/881875060.db2.gz OETUKUOILSXQIP-YWZLYKJASA-N 2 2 413.363 4.326 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000468048286 881875062 /nfs/dbraw/zinc/87/50/62/881875062.db2.gz OETUKUOILSXQIP-YWZLYKJASA-N 2 2 413.363 4.326 20 0 HIADLP Cc1c(Cl)c(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)nc2ccccc12 ZINC000441071789 866162742 /nfs/dbraw/zinc/16/27/42/866162742.db2.gz QJQUYWNGEIUOBR-UHFFFAOYSA-N 2 2 400.998 4.187 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc2c1 ZINC000441327246 866399904 /nfs/dbraw/zinc/39/99/04/866399904.db2.gz GKNOBYARVCANMI-XXBNENTESA-N 2 2 411.590 4.002 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc2c1 ZINC000441327246 866399924 /nfs/dbraw/zinc/39/99/24/866399924.db2.gz GKNOBYARVCANMI-XXBNENTESA-N 2 2 411.590 4.002 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)ccc2c1 ZINC000441327246 866399936 /nfs/dbraw/zinc/39/99/36/866399936.db2.gz GKNOBYARVCANMI-XXBNENTESA-N 2 2 411.590 4.002 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+](C)CC[C@@H]3CCCC[N@H+]3C)ccc2c1 ZINC000441327246 866399951 /nfs/dbraw/zinc/39/99/51/866399951.db2.gz GKNOBYARVCANMI-XXBNENTESA-N 2 2 411.590 4.002 20 0 HIADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441374237 866443632 /nfs/dbraw/zinc/44/36/32/866443632.db2.gz DVBKZVOTFHOMSQ-ZJSXRUAMSA-N 2 2 404.558 4.268 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccco1 ZINC000441522856 866599829 /nfs/dbraw/zinc/59/98/29/866599829.db2.gz RYAFJXSVNBNWGR-VXKWHMMOSA-N 2 2 423.561 4.217 20 0 HIADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441911320 866977368 /nfs/dbraw/zinc/97/73/68/866977368.db2.gz QLMMJFLCJFEMNI-IBGZPJMESA-N 2 2 403.368 4.212 20 0 HIADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441911320 866977384 /nfs/dbraw/zinc/97/73/84/866977384.db2.gz QLMMJFLCJFEMNI-IBGZPJMESA-N 2 2 403.368 4.212 20 0 HIADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441911320 866977393 /nfs/dbraw/zinc/97/73/93/866977393.db2.gz QLMMJFLCJFEMNI-IBGZPJMESA-N 2 2 403.368 4.212 20 0 HIADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441911320 866977407 /nfs/dbraw/zinc/97/74/07/866977407.db2.gz QLMMJFLCJFEMNI-IBGZPJMESA-N 2 2 403.368 4.212 20 0 HIADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000442868411 867704179 /nfs/dbraw/zinc/70/41/79/867704179.db2.gz NQZAMYPGRQUGLC-IBGZPJMESA-N 2 2 417.594 4.057 20 0 HIADLP Fc1ccc(Br)c2[nH+]ccc(NC3CC[NH+](Cc4ccccn4)CC3)c12 ZINC000443509344 868074928 /nfs/dbraw/zinc/07/49/28/868074928.db2.gz MSKGZJXZUPBKHD-UHFFFAOYSA-N 2 2 415.310 4.030 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000444599157 868896728 /nfs/dbraw/zinc/89/67/28/868896728.db2.gz WFVUFQJIDVIHHF-IRXDYDNUSA-N 2 2 423.586 4.049 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000444599157 868896731 /nfs/dbraw/zinc/89/67/31/868896731.db2.gz WFVUFQJIDVIHHF-IRXDYDNUSA-N 2 2 423.586 4.049 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000444599155 868897066 /nfs/dbraw/zinc/89/70/66/868897066.db2.gz WFVUFQJIDVIHHF-DLBZAZTESA-N 2 2 423.586 4.049 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000444599155 868897072 /nfs/dbraw/zinc/89/70/72/868897072.db2.gz WFVUFQJIDVIHHF-DLBZAZTESA-N 2 2 423.586 4.049 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000444806095 869019103 /nfs/dbraw/zinc/01/91/03/869019103.db2.gz SNDPPTHRXPXNNS-APWZRJJASA-N 2 2 421.372 4.270 20 0 HIADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000444806095 869019120 /nfs/dbraw/zinc/01/91/20/869019120.db2.gz SNDPPTHRXPXNNS-APWZRJJASA-N 2 2 421.372 4.270 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000446577176 870487742 /nfs/dbraw/zinc/48/77/42/870487742.db2.gz KIAILNQCYHUUQW-UHFFFAOYSA-N 2 2 401.514 4.350 20 0 HIADLP COc1ccccc1[C@@H]1CCC[NH+]1CC(O)C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000447349053 871252360 /nfs/dbraw/zinc/25/23/60/871252360.db2.gz UUDKMQGYTDJSNQ-GOTSBHOMSA-N 2 2 410.558 4.039 20 0 HIADLP COc1ccccc1[C@@H]1CCC[NH+]1CC(O)C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000447349053 871252374 /nfs/dbraw/zinc/25/23/74/871252374.db2.gz UUDKMQGYTDJSNQ-GOTSBHOMSA-N 2 2 410.558 4.039 20 0 HIADLP Cn1cc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccc(F)cc2)cn1 ZINC000447599649 871508075 /nfs/dbraw/zinc/50/80/75/871508075.db2.gz KHEUKXPBICKCHC-JBXUNAHCSA-N 2 2 404.533 4.434 20 0 HIADLP Cn1cc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccc(F)cc2)cn1 ZINC000447599649 871508100 /nfs/dbraw/zinc/50/81/00/871508100.db2.gz KHEUKXPBICKCHC-JBXUNAHCSA-N 2 2 404.533 4.434 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)c1Br ZINC000447938666 871819081 /nfs/dbraw/zinc/81/90/81/871819081.db2.gz BZVBRQIEAJTWOK-HZPDHXFCSA-N 2 2 419.411 4.259 20 0 HIADLP Cc1ccccc1Sc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000448156749 872035317 /nfs/dbraw/zinc/03/53/17/872035317.db2.gz HIULQKBZICULME-UHFFFAOYSA-N 2 2 423.626 4.435 20 0 HIADLP CCSCc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000448338856 872279105 /nfs/dbraw/zinc/27/91/05/872279105.db2.gz GUVMIWPTQKMSCA-XZOQPEGZSA-N 2 2 417.663 4.349 20 0 HIADLP CCSCc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448338856 872279131 /nfs/dbraw/zinc/27/91/31/872279131.db2.gz GUVMIWPTQKMSCA-XZOQPEGZSA-N 2 2 417.663 4.349 20 0 HIADLP CCSCc1ccccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000448338854 872280089 /nfs/dbraw/zinc/28/00/89/872280089.db2.gz GUVMIWPTQKMSCA-GOTSBHOMSA-N 2 2 417.663 4.349 20 0 HIADLP CCSCc1ccccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448338854 872280116 /nfs/dbraw/zinc/28/01/16/872280116.db2.gz GUVMIWPTQKMSCA-GOTSBHOMSA-N 2 2 417.663 4.349 20 0 HIADLP C[NH+]1CCC(CNC(=O)CCCSc2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000460477970 873165068 /nfs/dbraw/zinc/16/50/68/873165068.db2.gz DMUPWUIJAWKXFF-UHFFFAOYSA-N 2 2 424.054 4.279 20 0 HIADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462671883 875769082 /nfs/dbraw/zinc/76/90/82/875769082.db2.gz BMVCMVHCHDUGRJ-LJQANCHMSA-N 2 2 414.619 4.178 20 0 HIADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(C)c(C)cc3OC(F)F)cc2)CC1 ZINC000462689806 875781320 /nfs/dbraw/zinc/78/13/20/875781320.db2.gz WIVRGKZWOLEMKI-UHFFFAOYSA-N 2 2 417.544 4.332 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462798985 875846983 /nfs/dbraw/zinc/84/69/83/875846983.db2.gz VAIVBVPIFSHSSN-PMACEKPBSA-N 2 2 412.496 4.349 20 0 HIADLP COc1ccccc1[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCCC1 ZINC000463135828 876185362 /nfs/dbraw/zinc/18/53/62/876185362.db2.gz ADERCQHUJSPESN-VWLOTQADSA-N 2 2 407.602 4.129 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N2CCCC2)c1 ZINC000463139452 876189802 /nfs/dbraw/zinc/18/98/02/876189802.db2.gz GYDRXIFBMYBQIX-DSBYRVASSA-N 2 2 407.602 4.475 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N2CCCC2)c1 ZINC000463139452 876189810 /nfs/dbraw/zinc/18/98/10/876189810.db2.gz GYDRXIFBMYBQIX-DSBYRVASSA-N 2 2 407.602 4.475 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N2CCCC2)c1 ZINC000463139453 876190480 /nfs/dbraw/zinc/19/04/80/876190480.db2.gz GYDRXIFBMYBQIX-NZJKTDFXSA-N 2 2 407.602 4.475 20 0 HIADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N2CCCC2)c1 ZINC000463139453 876190487 /nfs/dbraw/zinc/19/04/87/876190487.db2.gz GYDRXIFBMYBQIX-NZJKTDFXSA-N 2 2 407.602 4.475 20 0 HIADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463193305 876250974 /nfs/dbraw/zinc/25/09/74/876250974.db2.gz RQWBCOYQYOBRJT-BKMJKUGQSA-N 2 2 419.613 4.110 20 0 HIADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463193305 876250986 /nfs/dbraw/zinc/25/09/86/876250986.db2.gz RQWBCOYQYOBRJT-BKMJKUGQSA-N 2 2 419.613 4.110 20 0 HIADLP C[C@H]1C[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463238033 876295218 /nfs/dbraw/zinc/29/52/18/876295218.db2.gz NDLQFDPXDBPBDG-XALWFJFJSA-N 2 2 409.540 4.434 20 0 HIADLP C[C@H]1C[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463238033 876295235 /nfs/dbraw/zinc/29/52/35/876295235.db2.gz NDLQFDPXDBPBDG-XALWFJFJSA-N 2 2 409.540 4.434 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000463243295 876299513 /nfs/dbraw/zinc/29/95/13/876299513.db2.gz OGCQECAHUROLFN-IMFGXOCKSA-N 2 2 408.464 4.261 20 0 HIADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000463243295 876299523 /nfs/dbraw/zinc/29/95/23/876299523.db2.gz OGCQECAHUROLFN-IMFGXOCKSA-N 2 2 408.464 4.261 20 0 HIADLP CSCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC000463293376 876353763 /nfs/dbraw/zinc/35/37/63/876353763.db2.gz IBQHQJQWQBLUSO-LQCXBHPOSA-N 2 2 421.614 4.309 20 0 HIADLP CSCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1nnc2ccccn21 ZINC000463293376 876353779 /nfs/dbraw/zinc/35/37/79/876353779.db2.gz IBQHQJQWQBLUSO-LQCXBHPOSA-N 2 2 421.614 4.309 20 0 HIADLP C[C@@H](CC[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1)[NH+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463423019 876477844 /nfs/dbraw/zinc/47/78/44/876477844.db2.gz BPAVXXSSHZTVFL-SFHVURJKSA-N 2 2 404.554 4.271 20 0 HIADLP C[C@@H](CC[N@H+]1Cc2ccc(O)cc2C2(CC2)C1)[NH+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463423019 876477858 /nfs/dbraw/zinc/47/78/58/876477858.db2.gz BPAVXXSSHZTVFL-SFHVURJKSA-N 2 2 404.554 4.271 20 0 HIADLP C[C@@H](CC[NH+]1Cc2ccc(O)cc2C2(CC2)C1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463423019 876477870 /nfs/dbraw/zinc/47/78/70/876477870.db2.gz BPAVXXSSHZTVFL-SFHVURJKSA-N 2 2 404.554 4.271 20 0 HIADLP C[C@@H](CC[NH+]1Cc2ccc(O)cc2C2(CC2)C1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463423019 876477874 /nfs/dbraw/zinc/47/78/74/876477874.db2.gz BPAVXXSSHZTVFL-SFHVURJKSA-N 2 2 404.554 4.271 20 0 HIADLP C[C@@H](C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)[NH+]1CCCCCC1 ZINC000468987663 883054035 /nfs/dbraw/zinc/05/40/35/883054035.db2.gz NEGCQPZZRAPZOV-SFHVURJKSA-N 2 2 420.960 4.359 20 0 HIADLP CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464802087 878046675 /nfs/dbraw/zinc/04/66/75/878046675.db2.gz MCNUAMQANBQJHP-UHFFFAOYSA-N 2 2 400.954 4.220 20 0 HIADLP CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464802087 878046686 /nfs/dbraw/zinc/04/66/86/878046686.db2.gz MCNUAMQANBQJHP-UHFFFAOYSA-N 2 2 400.954 4.220 20 0 HIADLP CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804453 878048056 /nfs/dbraw/zinc/04/80/56/878048056.db2.gz GJMIQFUIUPJNFA-GOSISDBHSA-N 2 2 414.981 4.151 20 0 HIADLP CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464804453 878048072 /nfs/dbraw/zinc/04/80/72/878048072.db2.gz GJMIQFUIUPJNFA-GOSISDBHSA-N 2 2 414.981 4.151 20 0 HIADLP CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805722 878050527 /nfs/dbraw/zinc/05/05/27/878050527.db2.gz BIVUUFGTARTWRD-UHFFFAOYSA-N 2 2 423.586 4.019 20 0 HIADLP CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464805722 878050531 /nfs/dbraw/zinc/05/05/31/878050531.db2.gz BIVUUFGTARTWRD-UHFFFAOYSA-N 2 2 423.586 4.019 20 0 HIADLP CC[N@@H+](Cc1ccc2oc(C(=O)OC)cc2c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809870 878059061 /nfs/dbraw/zinc/05/90/61/878059061.db2.gz PAAGMIBANAFKFW-UHFFFAOYSA-N 2 2 407.514 4.353 20 0 HIADLP CC[N@H+](Cc1ccc2oc(C(=O)OC)cc2c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809870 878059075 /nfs/dbraw/zinc/05/90/75/878059075.db2.gz PAAGMIBANAFKFW-UHFFFAOYSA-N 2 2 407.514 4.353 20 0 HIADLP CCN(C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H](C)c1ccc(F)cc1 ZINC000464843578 878114123 /nfs/dbraw/zinc/11/41/23/878114123.db2.gz WHJWDHXROCZLCA-IFMALSPDSA-N 2 2 411.565 4.189 20 0 HIADLP CCN(C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H](C)c1ccc(F)cc1 ZINC000464843578 878114129 /nfs/dbraw/zinc/11/41/29/878114129.db2.gz WHJWDHXROCZLCA-IFMALSPDSA-N 2 2 411.565 4.189 20 0 HIADLP CCN(C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C)c1ccc(F)cc1 ZINC000464843578 878114136 /nfs/dbraw/zinc/11/41/36/878114136.db2.gz WHJWDHXROCZLCA-IFMALSPDSA-N 2 2 411.565 4.189 20 0 HIADLP CCN(C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C)c1ccc(F)cc1 ZINC000464843578 878114145 /nfs/dbraw/zinc/11/41/45/878114145.db2.gz WHJWDHXROCZLCA-IFMALSPDSA-N 2 2 411.565 4.189 20 0 HIADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc2c(c1)CCCC2 ZINC000503375142 912358451 /nfs/dbraw/zinc/35/84/51/912358451.db2.gz LDSUEWARFNHZLI-AUSIDOKSSA-N 2 2 420.601 4.155 20 0 HIADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc2c(c1)CCCC2 ZINC000503375142 912358472 /nfs/dbraw/zinc/35/84/72/912358472.db2.gz LDSUEWARFNHZLI-AUSIDOKSSA-N 2 2 420.601 4.155 20 0 HIADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503407455 912387336 /nfs/dbraw/zinc/38/73/36/912387336.db2.gz DWXGPPOMVLMKRS-JQVVWYNYSA-N 2 2 408.590 4.227 20 0 HIADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503407455 912387356 /nfs/dbraw/zinc/38/73/56/912387356.db2.gz DWXGPPOMVLMKRS-JQVVWYNYSA-N 2 2 408.590 4.227 20 0 HIADLP O=C([C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCCCC1 ZINC000503407985 912389424 /nfs/dbraw/zinc/38/94/24/912389424.db2.gz GUTGYMQDZDDFBU-GMAHTHKFSA-N 2 2 406.574 4.153 20 0 HIADLP O=C([C@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCCCC1 ZINC000503407985 912389442 /nfs/dbraw/zinc/38/94/42/912389442.db2.gz GUTGYMQDZDDFBU-GMAHTHKFSA-N 2 2 406.574 4.153 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000465474458 878912755 /nfs/dbraw/zinc/91/27/55/878912755.db2.gz ZOUYYWDEFCDMNC-SBUREZEXSA-N 2 2 406.505 4.162 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000465474458 878912758 /nfs/dbraw/zinc/91/27/58/878912758.db2.gz ZOUYYWDEFCDMNC-SBUREZEXSA-N 2 2 406.505 4.162 20 0 HIADLP CC[NH+]1CCC(CCNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000465552167 879016734 /nfs/dbraw/zinc/01/67/34/879016734.db2.gz YSPONJWOIOMRDM-HXUWFJFHSA-N 2 2 424.992 4.037 20 0 HIADLP CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503430445 912428458 /nfs/dbraw/zinc/42/84/58/912428458.db2.gz CWATYLRZMCICNY-KNQAVFIVSA-N 2 2 411.590 4.136 20 0 HIADLP CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503430445 912428469 /nfs/dbraw/zinc/42/84/69/912428469.db2.gz CWATYLRZMCICNY-KNQAVFIVSA-N 2 2 411.590 4.136 20 0 HIADLP C[NH+]1CCC(CNC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000465666771 879200725 /nfs/dbraw/zinc/20/07/25/879200725.db2.gz RWWHYLITYZRETF-NRFANRHFSA-N 2 2 418.601 4.162 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503436855 912445051 /nfs/dbraw/zinc/44/50/51/912445051.db2.gz PJOMGSWOWVIGIU-PKOBYXMFSA-N 2 2 414.981 4.272 20 0 HIADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503436855 912445058 /nfs/dbraw/zinc/44/50/58/912445058.db2.gz PJOMGSWOWVIGIU-PKOBYXMFSA-N 2 2 414.981 4.272 20 0 HIADLP CC(C)C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000465821030 879448708 /nfs/dbraw/zinc/44/87/08/879448708.db2.gz XYGBOSJPSJYPQD-QFIPXVFZSA-N 2 2 421.029 4.285 20 0 HIADLP C[NH+]1CCC(CNC(=O)NC2(c3ccccc3)CCCCC2)([NH+]2CCCCC2)CC1 ZINC000465925985 879590393 /nfs/dbraw/zinc/59/03/93/879590393.db2.gz OTCYYLXIEYOHCM-UHFFFAOYSA-N 2 2 412.622 4.096 20 0 HIADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000466156784 879861606 /nfs/dbraw/zinc/86/16/06/879861606.db2.gz GWKYBEMRTGBOTE-UHFFFAOYSA-N 2 2 420.601 4.349 20 0 HIADLP Brc1cccc([C@@H]([NH2+]CCCNc2cccc[nH+]2)C2CCOCC2)c1 ZINC000467420675 881209902 /nfs/dbraw/zinc/20/99/02/881209902.db2.gz SCCOROQUCGCGAH-FQEVSTJZSA-N 2 2 404.352 4.404 20 0 HIADLP CCCn1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000469368098 883493443 /nfs/dbraw/zinc/49/34/43/883493443.db2.gz UZOCMMHXJMTBIM-ZEQRLZLVSA-N 2 2 424.633 4.461 20 0 HIADLP CCCn1c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000469368098 883493451 /nfs/dbraw/zinc/49/34/51/883493451.db2.gz UZOCMMHXJMTBIM-ZEQRLZLVSA-N 2 2 424.633 4.461 20 0 HIADLP CCC(CC)(CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000469765416 883935943 /nfs/dbraw/zinc/93/59/43/883935943.db2.gz SNCYDTOQVFNTCN-ONTIZHBOSA-N 2 2 411.594 4.385 20 0 HIADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000469766498 883938986 /nfs/dbraw/zinc/93/89/86/883938986.db2.gz XIBPAKAEJGJIGY-NFBKMPQASA-N 2 2 409.578 4.052 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000469771475 883947361 /nfs/dbraw/zinc/94/73/61/883947361.db2.gz BHEUDLRGSRWHDG-RKVPGOIHSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000469771475 883947373 /nfs/dbraw/zinc/94/73/73/883947373.db2.gz BHEUDLRGSRWHDG-RKVPGOIHSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000469771476 883947660 /nfs/dbraw/zinc/94/76/60/883947660.db2.gz BHEUDLRGSRWHDG-VKJFTORMSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000469771476 883947666 /nfs/dbraw/zinc/94/76/66/883947666.db2.gz BHEUDLRGSRWHDG-VKJFTORMSA-N 2 2 416.393 4.047 20 0 HIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(-c3c(F)cccc3F)cs2)[C@H](C)C1 ZINC000469790062 883965565 /nfs/dbraw/zinc/96/55/65/883965565.db2.gz HPWHYTFDYGONML-CRAIPNDOSA-N 2 2 409.546 4.315 20 0 HIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc(-c3c(F)cccc3F)cs2)[C@H](C)C1 ZINC000469790062 883965572 /nfs/dbraw/zinc/96/55/72/883965572.db2.gz HPWHYTFDYGONML-CRAIPNDOSA-N 2 2 409.546 4.315 20 0 HIADLP CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1 ZINC000470107030 884365243 /nfs/dbraw/zinc/36/52/43/884365243.db2.gz WXPWNCVBXWKEHG-UHFFFAOYSA-N 2 2 403.530 4.491 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471962894 886788916 /nfs/dbraw/zinc/78/89/16/886788916.db2.gz GIGYFUFAHSASBL-RTWAWAEBSA-N 2 2 418.944 4.150 20 0 HIADLP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000471962894 886788925 /nfs/dbraw/zinc/78/89/25/886788925.db2.gz GIGYFUFAHSASBL-RTWAWAEBSA-N 2 2 418.944 4.150 20 0 HIADLP COc1ccccc1[C@@H](C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)OC(C)C ZINC000472076073 886878516 /nfs/dbraw/zinc/87/85/16/886878516.db2.gz TUBFIUXRWXAFEQ-HXUWFJFHSA-N 2 2 403.592 4.174 20 0 HIADLP COc1ccccc1[C@@H](C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)OC(C)C ZINC000472076073 886878520 /nfs/dbraw/zinc/87/85/20/886878520.db2.gz TUBFIUXRWXAFEQ-HXUWFJFHSA-N 2 2 403.592 4.174 20 0 HIADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473512099 888240997 /nfs/dbraw/zinc/24/09/97/888240997.db2.gz XSVPYLPIUNRCGB-RUZDIDTESA-N 2 2 400.526 4.001 20 0 HIADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473512099 888241008 /nfs/dbraw/zinc/24/10/08/888241008.db2.gz XSVPYLPIUNRCGB-RUZDIDTESA-N 2 2 400.526 4.001 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CCc1ccc(I)cc1)CCC2 ZINC000474805349 889658286 /nfs/dbraw/zinc/65/82/86/889658286.db2.gz CEYROGCLGFTFNA-PBHICJAKSA-N 2 2 423.342 4.284 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C2 ZINC000474904218 889763871 /nfs/dbraw/zinc/76/38/71/889763871.db2.gz ARAVVMXIRWQLLP-AQNXPRMDSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000474904218 889763881 /nfs/dbraw/zinc/76/38/81/889763881.db2.gz ARAVVMXIRWQLLP-AQNXPRMDSA-N 2 2 422.617 4.432 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000474909512 889769971 /nfs/dbraw/zinc/76/99/71/889769971.db2.gz IPWSBAIFUQAJGQ-RTBURBONSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C2 ZINC000474909512 889769978 /nfs/dbraw/zinc/76/99/78/889769978.db2.gz IPWSBAIFUQAJGQ-RTBURBONSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000474909512 889769987 /nfs/dbraw/zinc/76/99/87/889769987.db2.gz IPWSBAIFUQAJGQ-RTBURBONSA-N 2 2 408.590 4.186 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000474909512 889769994 /nfs/dbraw/zinc/76/99/94/889769994.db2.gz IPWSBAIFUQAJGQ-RTBURBONSA-N 2 2 408.590 4.186 20 0 HIADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)C2)CC1 ZINC000475345234 890267723 /nfs/dbraw/zinc/26/77/23/890267723.db2.gz HNOBMIRHLJYSQA-GZNCHQMQSA-N 2 2 412.496 4.139 20 0 HIADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000475463670 890373206 /nfs/dbraw/zinc/37/32/06/890373206.db2.gz WDNLZFDOKSIYSE-SFHVURJKSA-N 2 2 412.603 4.134 20 0 HIADLP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc(OC)c1OCc1ccccc1 ZINC000475566092 890495776 /nfs/dbraw/zinc/49/57/76/890495776.db2.gz HBIQGCOTICTSJO-UHFFFAOYSA-N 2 2 410.558 4.389 20 0 HIADLP c1cc(C[NH+]2CCCCC2)cc(-c2noc(-c3cccc(C[NH+]4CCOCC4)c3)n2)c1 ZINC000504828952 913548492 /nfs/dbraw/zinc/54/84/92/913548492.db2.gz RVFAQGVFAYEIDX-UHFFFAOYSA-N 2 2 418.541 4.222 20 0 HIADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000476816398 891801738 /nfs/dbraw/zinc/80/17/38/891801738.db2.gz CSZDSZSWXJGLRT-FQEVSTJZSA-N 2 2 409.574 4.479 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000476988423 891914227 /nfs/dbraw/zinc/91/42/27/891914227.db2.gz SDJQGTKIKZXNBL-SFHVURJKSA-N 2 2 416.541 4.264 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000476988423 891914244 /nfs/dbraw/zinc/91/42/44/891914244.db2.gz SDJQGTKIKZXNBL-SFHVURJKSA-N 2 2 416.541 4.264 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000478191918 893354248 /nfs/dbraw/zinc/35/42/48/893354248.db2.gz YJFOBWIHINFULN-UHFFFAOYSA-N 2 2 402.340 4.135 20 0 HIADLP Brc1cc(Br)c2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000479359638 894658384 /nfs/dbraw/zinc/65/83/84/894658384.db2.gz NOUJNHWNDSAEHM-MRXNPFEDSA-N 2 2 413.157 4.465 20 0 HIADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479402303 894706437 /nfs/dbraw/zinc/70/64/37/894706437.db2.gz NJRYMSVPBWEKHJ-CYFREDJKSA-N 2 2 401.558 4.460 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000479424266 894736662 /nfs/dbraw/zinc/73/66/62/894736662.db2.gz MXKYUAXFZUDTFY-NRFANRHFSA-N 2 2 423.605 4.118 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000479424266 894736673 /nfs/dbraw/zinc/73/66/73/894736673.db2.gz MXKYUAXFZUDTFY-NRFANRHFSA-N 2 2 423.605 4.118 20 0 HIADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000479460445 894781934 /nfs/dbraw/zinc/78/19/34/894781934.db2.gz KHMHFUNOXSBMDV-HNNXBMFYSA-N 2 2 404.352 4.168 20 0 HIADLP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000479558296 894856585 /nfs/dbraw/zinc/85/65/85/894856585.db2.gz NQDRGRMPIBVUCN-UHFFFAOYSA-N 2 2 416.569 4.059 20 0 HIADLP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000479880044 895224152 /nfs/dbraw/zinc/22/41/52/895224152.db2.gz CJQFVMUTLAZRIY-INIZCTEOSA-N 2 2 404.938 4.040 20 0 HIADLP C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480202390 895601949 /nfs/dbraw/zinc/60/19/49/895601949.db2.gz XTQSUULAHPNYQP-VGOFRKELSA-N 2 2 412.965 4.454 20 0 HIADLP Cc1c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nnn1-c1ccccc1 ZINC000480241301 895650968 /nfs/dbraw/zinc/65/09/68/895650968.db2.gz OHNSMGHBILRVGL-ZCNNSNEGSA-N 2 2 419.573 4.036 20 0 HIADLP Cc1c([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nnn1-c1ccccc1 ZINC000480241301 895650969 /nfs/dbraw/zinc/65/09/69/895650969.db2.gz OHNSMGHBILRVGL-ZCNNSNEGSA-N 2 2 419.573 4.036 20 0 HIADLP COC(=O)c1csc(-c2cccc(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)c2)n1 ZINC000480462245 895846168 /nfs/dbraw/zinc/84/61/68/895846168.db2.gz BRLBBHZHVPMRMI-UHFFFAOYSA-N 2 2 410.524 4.134 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000480602200 895966649 /nfs/dbraw/zinc/96/66/49/895966649.db2.gz AOBWXGFNYQKEMU-RDPSFJRHSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000480602200 895966665 /nfs/dbraw/zinc/96/66/65/895966665.db2.gz AOBWXGFNYQKEMU-RDPSFJRHSA-N 2 2 402.542 4.056 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000480621961 895989929 /nfs/dbraw/zinc/98/99/29/895989929.db2.gz UQNLPBRDFQTAHE-UFPGJGBJSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000480621961 895989939 /nfs/dbraw/zinc/98/99/39/895989939.db2.gz UQNLPBRDFQTAHE-UFPGJGBJSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000480621961 895989948 /nfs/dbraw/zinc/98/99/48/895989948.db2.gz UQNLPBRDFQTAHE-UFPGJGBJSA-N 3 2 406.618 4.314 20 0 HIADLP C[C@@H]1CCC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000480621961 895989957 /nfs/dbraw/zinc/98/99/57/895989957.db2.gz UQNLPBRDFQTAHE-UFPGJGBJSA-N 3 2 406.618 4.314 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cc1 ZINC000480711959 896074203 /nfs/dbraw/zinc/07/42/03/896074203.db2.gz RKGJBHQGBJUKRY-FDDCHVKYSA-N 2 2 415.603 4.009 20 0 HIADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000480711959 896074214 /nfs/dbraw/zinc/07/42/14/896074214.db2.gz RKGJBHQGBJUKRY-FDDCHVKYSA-N 2 2 415.603 4.009 20 0 HIADLP COCCC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(Br)cc1 ZINC000480760289 896122088 /nfs/dbraw/zinc/12/20/88/896122088.db2.gz QSVFEHBABNTSJO-LJQANCHMSA-N 2 2 406.368 4.282 20 0 HIADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(SCC(F)F)cc1 ZINC000480781842 896148372 /nfs/dbraw/zinc/14/83/72/896148372.db2.gz TUNDNZPVGQSPAC-OXJNMPFZSA-N 2 2 406.542 4.114 20 0 HIADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(SCC(F)F)cc1 ZINC000480781842 896148379 /nfs/dbraw/zinc/14/83/79/896148379.db2.gz TUNDNZPVGQSPAC-OXJNMPFZSA-N 2 2 406.542 4.114 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000480900909 896258035 /nfs/dbraw/zinc/25/80/35/896258035.db2.gz SKMPYIIREBPHGE-JXFKEZNVSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000480900909 896258048 /nfs/dbraw/zinc/25/80/48/896258048.db2.gz SKMPYIIREBPHGE-JXFKEZNVSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000481017336 896347110 /nfs/dbraw/zinc/34/71/10/896347110.db2.gz CFXSEPGBMYFCCF-AUSIDOKSSA-N 2 2 413.993 4.283 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000481017336 896347127 /nfs/dbraw/zinc/34/71/27/896347127.db2.gz CFXSEPGBMYFCCF-AUSIDOKSSA-N 2 2 413.993 4.283 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000481017338 896347596 /nfs/dbraw/zinc/34/75/96/896347596.db2.gz CFXSEPGBMYFCCF-CVDCTZTESA-N 2 2 413.993 4.283 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000481017338 896347613 /nfs/dbraw/zinc/34/76/13/896347613.db2.gz CFXSEPGBMYFCCF-CVDCTZTESA-N 2 2 413.993 4.283 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1OC(F)F ZINC000481164852 896497629 /nfs/dbraw/zinc/49/76/29/896497629.db2.gz AQJUNOIJGYMDJQ-ZIFCJYIRSA-N 2 2 417.500 4.115 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccccc1OC(F)F ZINC000481164852 896497637 /nfs/dbraw/zinc/49/76/37/896497637.db2.gz AQJUNOIJGYMDJQ-ZIFCJYIRSA-N 2 2 417.500 4.115 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cc(Cl)ccc1F ZINC000481181781 896524790 /nfs/dbraw/zinc/52/47/90/896524790.db2.gz NSHACIWFUWWYOA-FTRWYGJKSA-N 2 2 403.929 4.306 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1cc(Cl)ccc1F ZINC000481181781 896524803 /nfs/dbraw/zinc/52/48/03/896524803.db2.gz NSHACIWFUWWYOA-FTRWYGJKSA-N 2 2 403.929 4.306 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cc2ccccc2o1 ZINC000481189031 896539663 /nfs/dbraw/zinc/53/96/63/896539663.db2.gz ZPNCLKOTRUPBMZ-QTDGGUCWSA-N 2 2 419.569 4.499 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cc2ccccc2o1 ZINC000481189031 896539679 /nfs/dbraw/zinc/53/96/79/896539679.db2.gz ZPNCLKOTRUPBMZ-QTDGGUCWSA-N 2 2 419.569 4.499 20 0 HIADLP Clc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000481192476 896543820 /nfs/dbraw/zinc/54/38/20/896543820.db2.gz QAWVLMZSMJVKMH-NRFANRHFSA-N 2 2 416.949 4.055 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(-c2ccncc2)cc1 ZINC000481196480 896550661 /nfs/dbraw/zinc/55/06/61/896550661.db2.gz ZGGZMSLXIIYQHG-OAQYLSRUSA-N 2 2 417.553 4.310 20 0 HIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481422700 896825107 /nfs/dbraw/zinc/82/51/07/896825107.db2.gz KXMQXWHCYTVKSU-KRWDZBQOSA-N 2 2 417.619 4.311 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)cc1F ZINC000481575970 896955420 /nfs/dbraw/zinc/95/54/20/896955420.db2.gz QQAZLNMYVGJCDE-AWEZNQCLSA-N 2 2 410.884 4.405 20 0 HIADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000505466423 914137401 /nfs/dbraw/zinc/13/74/01/914137401.db2.gz AICXMADGXLGIBT-VWLOTQADSA-N 2 2 417.528 4.244 20 0 HIADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)c1 ZINC000505466423 914137407 /nfs/dbraw/zinc/13/74/07/914137407.db2.gz AICXMADGXLGIBT-VWLOTQADSA-N 2 2 417.528 4.244 20 0 HIADLP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000482097870 897543180 /nfs/dbraw/zinc/54/31/80/897543180.db2.gz KCTNPPXZKBRQPR-TXTKFYIRSA-N 2 2 413.009 4.370 20 0 HIADLP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000482097870 897543192 /nfs/dbraw/zinc/54/31/92/897543192.db2.gz KCTNPPXZKBRQPR-TXTKFYIRSA-N 2 2 413.009 4.370 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nnn1-c1ccc(F)cc1 ZINC000482130321 897587778 /nfs/dbraw/zinc/58/77/78/897587778.db2.gz VKFFGSMMQMMZEK-AEFFLSMTSA-N 2 2 413.566 4.339 20 0 HIADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nnn1-c1ccc(F)cc1 ZINC000482130321 897587794 /nfs/dbraw/zinc/58/77/94/897587794.db2.gz VKFFGSMMQMMZEK-AEFFLSMTSA-N 2 2 413.566 4.339 20 0 HIADLP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000482164776 897629696 /nfs/dbraw/zinc/62/96/96/897629696.db2.gz QAXGVCAXXBXNKV-CALCHBBNSA-N 2 2 416.949 4.026 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000482784280 898392851 /nfs/dbraw/zinc/39/28/51/898392851.db2.gz AFQZFGBMVUAISR-MAUKXSAKSA-N 2 2 405.384 4.331 20 0 HIADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000482784280 898392864 /nfs/dbraw/zinc/39/28/64/898392864.db2.gz AFQZFGBMVUAISR-MAUKXSAKSA-N 2 2 405.384 4.331 20 0 HIADLP CC1CCC(Oc2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)ccn2)CC1 ZINC000482959851 898590361 /nfs/dbraw/zinc/59/03/61/898590361.db2.gz LLRGZOYCFIWSGU-CADNEJLXSA-N 2 2 408.590 4.434 20 0 HIADLP CC1CCC(Oc2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)ccn2)CC1 ZINC000482959851 898590371 /nfs/dbraw/zinc/59/03/71/898590371.db2.gz LLRGZOYCFIWSGU-CADNEJLXSA-N 2 2 408.590 4.434 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000483125895 898811029 /nfs/dbraw/zinc/81/10/29/898811029.db2.gz JXVNRUUXWFLOMF-LAUBAEHRSA-N 2 2 414.391 4.376 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000483125895 898811038 /nfs/dbraw/zinc/81/10/38/898811038.db2.gz JXVNRUUXWFLOMF-LAUBAEHRSA-N 2 2 414.391 4.376 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2Br)[C@H](C)C1 ZINC000483131570 898813982 /nfs/dbraw/zinc/81/39/82/898813982.db2.gz RKCVKLTYNOMVPP-CLCXKQKWSA-N 2 2 401.364 4.376 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2Br)[C@H](C)C1 ZINC000483131570 898813985 /nfs/dbraw/zinc/81/39/85/898813985.db2.gz RKCVKLTYNOMVPP-CLCXKQKWSA-N 2 2 401.364 4.376 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2Br)[C@@H](C)C1 ZINC000483131571 898814276 /nfs/dbraw/zinc/81/42/76/898814276.db2.gz RKCVKLTYNOMVPP-DOXZYTNZSA-N 2 2 401.364 4.376 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2Br)[C@@H](C)C1 ZINC000483131571 898814277 /nfs/dbraw/zinc/81/42/77/898814277.db2.gz RKCVKLTYNOMVPP-DOXZYTNZSA-N 2 2 401.364 4.376 20 0 HIADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(Br)c(Cl)s3)CC2)CC1 ZINC000483305259 898936101 /nfs/dbraw/zinc/93/61/01/898936101.db2.gz LFLLOGABZCMEIL-UHFFFAOYSA-N 2 2 420.848 4.014 20 0 HIADLP COc1cccc(OC)c1OC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000483545551 899207203 /nfs/dbraw/zinc/20/72/03/899207203.db2.gz QGPLUCZKVUWDPR-UHFFFAOYSA-N 2 2 407.514 4.241 20 0 HIADLP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000483649263 899307150 /nfs/dbraw/zinc/30/71/50/899307150.db2.gz DOYAGCZEQLEQAN-SFHVURJKSA-N 2 2 423.536 4.177 20 0 HIADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000483955490 899605334 /nfs/dbraw/zinc/60/53/34/899605334.db2.gz YSEJKDORUYEDSF-UHFFFAOYSA-N 2 2 409.921 4.080 20 0 HIADLP COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000483966370 899613849 /nfs/dbraw/zinc/61/38/49/899613849.db2.gz UJDUIIXVYWLDCL-UHFFFAOYSA-N 2 2 404.514 4.040 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000484060155 899693734 /nfs/dbraw/zinc/69/37/34/899693734.db2.gz URFHGIQYDKGTGN-QFIPXVFZSA-N 2 2 404.514 4.101 20 0 HIADLP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000484060155 899693741 /nfs/dbraw/zinc/69/37/41/899693741.db2.gz URFHGIQYDKGTGN-QFIPXVFZSA-N 2 2 404.514 4.101 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484140969 899760806 /nfs/dbraw/zinc/76/08/06/899760806.db2.gz GTUUGRSGYSSBRA-WTOYTKOKSA-N 2 2 422.598 4.047 20 0 HIADLP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484140969 899760826 /nfs/dbraw/zinc/76/08/26/899760826.db2.gz GTUUGRSGYSSBRA-WTOYTKOKSA-N 2 2 422.598 4.047 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)s1 ZINC000484145338 899765224 /nfs/dbraw/zinc/76/52/24/899765224.db2.gz WYMTUITVEYCURY-BHYGNILZSA-N 2 2 409.393 4.044 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)s1 ZINC000484145338 899765235 /nfs/dbraw/zinc/76/52/35/899765235.db2.gz WYMTUITVEYCURY-BHYGNILZSA-N 2 2 409.393 4.044 20 0 HIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000484156495 899776972 /nfs/dbraw/zinc/77/69/72/899776972.db2.gz GDZBPRAFLFZNEC-FFZOFVMBSA-N 2 2 401.620 4.283 20 0 HIADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000484156495 899776980 /nfs/dbraw/zinc/77/69/80/899776980.db2.gz GDZBPRAFLFZNEC-FFZOFVMBSA-N 2 2 401.620 4.283 20 0 HIADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)ccc2c1 ZINC000484167274 899786290 /nfs/dbraw/zinc/78/62/90/899786290.db2.gz SGQOPMXGKDOBIZ-YQIFXUADSA-N 2 2 404.554 4.382 20 0 HIADLP COc1ccc2cc([C@H](C)[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)ccc2c1 ZINC000484167274 899786293 /nfs/dbraw/zinc/78/62/93/899786293.db2.gz SGQOPMXGKDOBIZ-YQIFXUADSA-N 2 2 404.554 4.382 20 0 HIADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)ccc2c1 ZINC000484167273 899786415 /nfs/dbraw/zinc/78/64/15/899786415.db2.gz SGQOPMXGKDOBIZ-YLORPAJWSA-N 2 2 404.554 4.382 20 0 HIADLP COc1ccc2cc([C@H](C)[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)ccc2c1 ZINC000484167273 899786427 /nfs/dbraw/zinc/78/64/27/899786427.db2.gz SGQOPMXGKDOBIZ-YLORPAJWSA-N 2 2 404.554 4.382 20 0 HIADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000484472755 899966822 /nfs/dbraw/zinc/96/68/22/899966822.db2.gz HJJZLSGTLUUSHP-YADARESESA-N 2 2 409.574 4.412 20 0 HIADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC2CCCC2)c1 ZINC000484472755 899966826 /nfs/dbraw/zinc/96/68/26/899966826.db2.gz HJJZLSGTLUUSHP-YADARESESA-N 2 2 409.574 4.412 20 0 HIADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1Br ZINC000484489774 899981570 /nfs/dbraw/zinc/98/15/70/899981570.db2.gz PEGIOSWFHHMMGZ-MBOZVWFJSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Oc1ccccc1Br ZINC000484489774 899981581 /nfs/dbraw/zinc/98/15/81/899981581.db2.gz PEGIOSWFHHMMGZ-MBOZVWFJSA-N 2 2 418.379 4.112 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000485332890 900618604 /nfs/dbraw/zinc/61/86/04/900618604.db2.gz HXAAMAKXZKRURU-UZKOGDIHSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000485332890 900618609 /nfs/dbraw/zinc/61/86/09/900618609.db2.gz HXAAMAKXZKRURU-UZKOGDIHSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000485332890 900618615 /nfs/dbraw/zinc/61/86/15/900618615.db2.gz HXAAMAKXZKRURU-UZKOGDIHSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000485332890 900618622 /nfs/dbraw/zinc/61/86/22/900618622.db2.gz HXAAMAKXZKRURU-UZKOGDIHSA-N 2 2 424.614 4.117 20 0 HIADLP C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000485832947 901079721 /nfs/dbraw/zinc/07/97/21/901079721.db2.gz SEHYGTCZVHPBGD-CABCVRRESA-N 2 2 405.384 4.078 20 0 HIADLP C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2n1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000485832947 901079734 /nfs/dbraw/zinc/07/97/34/901079734.db2.gz SEHYGTCZVHPBGD-CABCVRRESA-N 2 2 405.384 4.078 20 0 HIADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486829808 901881817 /nfs/dbraw/zinc/88/18/17/901881817.db2.gz YDLWPDWQOHIGSH-NHCUHLMSSA-N 2 2 403.929 4.106 20 0 HIADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000486829808 901881819 /nfs/dbraw/zinc/88/18/19/901881819.db2.gz YDLWPDWQOHIGSH-NHCUHLMSSA-N 2 2 403.929 4.106 20 0 HIADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnc2cc(C)ccn12 ZINC000506011177 914685670 /nfs/dbraw/zinc/68/56/70/914685670.db2.gz ZJCGLFXHNBDVMK-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc2cc(C)ccn12 ZINC000506011177 914685682 /nfs/dbraw/zinc/68/56/82/914685682.db2.gz ZJCGLFXHNBDVMK-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000489454055 903392793 /nfs/dbraw/zinc/39/27/93/903392793.db2.gz CJCVZCDBTWGJDW-SFHVURJKSA-N 2 2 423.536 4.494 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000489454055 903392813 /nfs/dbraw/zinc/39/28/13/903392813.db2.gz CJCVZCDBTWGJDW-SFHVURJKSA-N 2 2 423.536 4.494 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)c(F)c1 ZINC000489490891 903418807 /nfs/dbraw/zinc/41/88/07/903418807.db2.gz XAQXGXDZSDGQPO-XERREHJYSA-N 2 2 421.354 4.122 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Br)c(F)c1 ZINC000489490891 903418819 /nfs/dbraw/zinc/41/88/19/903418819.db2.gz XAQXGXDZSDGQPO-XERREHJYSA-N 2 2 421.354 4.122 20 0 HIADLP CN(C(=O)c1cccn1C1CCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489711127 903552678 /nfs/dbraw/zinc/55/26/78/903552678.db2.gz FKFMNPIFXNQVTK-FCHUYYIVSA-N 2 2 400.611 4.012 20 0 HIADLP CN(C(=O)c1cccn1C1CCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489711127 903552685 /nfs/dbraw/zinc/55/26/85/903552685.db2.gz FKFMNPIFXNQVTK-FCHUYYIVSA-N 2 2 400.611 4.012 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000506041858 914732286 /nfs/dbraw/zinc/73/22/86/914732286.db2.gz MRTHMCKEBDYDRZ-IBGZPJMESA-N 2 2 422.013 4.108 20 0 HIADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CC1 ZINC000490168442 903806668 /nfs/dbraw/zinc/80/66/68/903806668.db2.gz VRIPSZYJSKZSFJ-AOMKIAJQSA-N 2 2 407.936 4.323 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000491222288 904488327 /nfs/dbraw/zinc/48/83/27/904488327.db2.gz GFIWZKJYZMNQEF-RUZDIDTESA-N 2 2 402.542 4.297 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000491222288 904488337 /nfs/dbraw/zinc/48/83/37/904488337.db2.gz GFIWZKJYZMNQEF-RUZDIDTESA-N 2 2 402.542 4.297 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000491922303 904735046 /nfs/dbraw/zinc/73/50/46/904735046.db2.gz YUARPWRRVLVSQF-IBGZPJMESA-N 2 2 418.545 4.023 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000491922303 904735062 /nfs/dbraw/zinc/73/50/62/904735062.db2.gz YUARPWRRVLVSQF-IBGZPJMESA-N 2 2 418.545 4.023 20 0 HIADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000492225080 904819092 /nfs/dbraw/zinc/81/90/92/904819092.db2.gz OQKBUMOZPASHSE-HSZRJFAPSA-N 2 2 417.956 4.101 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492289983 904829872 /nfs/dbraw/zinc/82/98/72/904829872.db2.gz KENZCSRHEKCDFN-LJQANCHMSA-N 2 2 418.545 4.023 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492289983 904829875 /nfs/dbraw/zinc/82/98/75/904829875.db2.gz KENZCSRHEKCDFN-LJQANCHMSA-N 2 2 418.545 4.023 20 0 HIADLP CCc1ccc([C@H]([NH2+]CCCNc2cccc[nH+]2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000493277462 905076512 /nfs/dbraw/zinc/07/65/12/905076512.db2.gz QXBWVAYDYVSSGW-DEOSSOPVSA-N 2 2 423.582 4.229 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1)CCC2 ZINC000493306747 905081978 /nfs/dbraw/zinc/08/19/78/905081978.db2.gz UDYNAHKAULCMPK-JTHBVZDNSA-N 2 2 423.582 4.160 20 0 HIADLP O=C([C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1)N1CCCCC1 ZINC000493885064 905245008 /nfs/dbraw/zinc/24/50/08/905245008.db2.gz FICIBEKGKCEJRL-NZQKXSOJSA-N 2 2 411.615 4.304 20 0 HIADLP O=C([C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1)N1CCCCC1 ZINC000493885064 905245024 /nfs/dbraw/zinc/24/50/24/905245024.db2.gz FICIBEKGKCEJRL-NZQKXSOJSA-N 2 2 411.615 4.304 20 0 HIADLP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2ccc(F)cc2)cc1 ZINC000493989381 905333342 /nfs/dbraw/zinc/33/33/42/905333342.db2.gz KVEDULDBEFEGMX-DSNGMDLFSA-N 2 2 412.549 4.281 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000512423232 921149609 /nfs/dbraw/zinc/14/96/09/921149609.db2.gz DRKXDNQEDIBVHD-DENIHFKCSA-N 2 2 424.589 4.149 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000512423232 921149615 /nfs/dbraw/zinc/14/96/15/921149615.db2.gz DRKXDNQEDIBVHD-DENIHFKCSA-N 2 2 424.589 4.149 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000512423234 921150077 /nfs/dbraw/zinc/15/00/77/921150077.db2.gz DRKXDNQEDIBVHD-SIKLNZKXSA-N 2 2 424.589 4.149 20 0 HIADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000512423234 921150084 /nfs/dbraw/zinc/15/00/84/921150084.db2.gz DRKXDNQEDIBVHD-SIKLNZKXSA-N 2 2 424.589 4.149 20 0 HIADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000494138042 905480239 /nfs/dbraw/zinc/48/02/39/905480239.db2.gz WKQORZPJZORDEX-YLJYHZDGSA-N 2 2 423.782 4.075 20 0 HIADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000494138042 905480247 /nfs/dbraw/zinc/48/02/47/905480247.db2.gz WKQORZPJZORDEX-YLJYHZDGSA-N 2 2 423.782 4.075 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494163560 905498438 /nfs/dbraw/zinc/49/84/38/905498438.db2.gz KKKZYOGWJFUDFB-PZJWPPBQSA-N 2 2 404.505 4.015 20 0 HIADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494163560 905498443 /nfs/dbraw/zinc/49/84/43/905498443.db2.gz KKKZYOGWJFUDFB-PZJWPPBQSA-N 2 2 404.505 4.015 20 0 HIADLP CCc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494409217 905700167 /nfs/dbraw/zinc/70/01/67/905700167.db2.gz YOWLZYXGZFLBKX-DEOSSOPVSA-N 2 2 411.553 4.462 20 0 HIADLP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494426822 905715157 /nfs/dbraw/zinc/71/51/57/905715157.db2.gz QGCRZRNEEZVTBV-NRFANRHFSA-N 2 2 401.489 4.288 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000495818823 906554082 /nfs/dbraw/zinc/55/40/82/906554082.db2.gz DXAAZSXDDCQPJB-QHCPKHFHSA-N 2 2 411.615 4.004 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000495818823 906554089 /nfs/dbraw/zinc/55/40/89/906554089.db2.gz DXAAZSXDDCQPJB-QHCPKHFHSA-N 2 2 411.615 4.004 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512613308 921260908 /nfs/dbraw/zinc/26/09/08/921260908.db2.gz RNTCBOSOJSSRQO-UFLJZRJVSA-N 3 2 418.629 4.497 20 0 HIADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512613308 921260914 /nfs/dbraw/zinc/26/09/14/921260914.db2.gz RNTCBOSOJSSRQO-UFLJZRJVSA-N 3 2 418.629 4.497 20 0 HIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc2)c[nH+]1 ZINC000512648530 921274099 /nfs/dbraw/zinc/27/40/99/921274099.db2.gz NZFPGTZPFHKNBP-KKUQBAQOSA-N 3 2 400.570 4.322 20 0 HIADLP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2)c[nH+]1 ZINC000512648530 921274106 /nfs/dbraw/zinc/27/41/06/921274106.db2.gz NZFPGTZPFHKNBP-KKUQBAQOSA-N 3 2 400.570 4.322 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472326 906953275 /nfs/dbraw/zinc/95/32/75/906953275.db2.gz VENNMHDDWVGDIC-DHIUTWEWSA-N 2 2 415.528 4.370 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472326 906953300 /nfs/dbraw/zinc/95/33/00/906953300.db2.gz VENNMHDDWVGDIC-DHIUTWEWSA-N 2 2 415.528 4.370 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472326 906953319 /nfs/dbraw/zinc/95/33/19/906953319.db2.gz VENNMHDDWVGDIC-DHIUTWEWSA-N 2 2 415.528 4.370 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472326 906953334 /nfs/dbraw/zinc/95/33/34/906953334.db2.gz VENNMHDDWVGDIC-DHIUTWEWSA-N 2 2 415.528 4.370 20 0 HIADLP C[NH+](C)CCOc1cc(C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)ccn1 ZINC000498803551 908213108 /nfs/dbraw/zinc/21/31/08/908213108.db2.gz TZIHZKBSMSXSRF-DEOSSOPVSA-N 2 2 402.498 4.042 20 0 HIADLP O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499021223 908397153 /nfs/dbraw/zinc/39/71/53/908397153.db2.gz LUGCIOODIJJVGR-QFIPXVFZSA-N 2 2 413.562 4.150 20 0 HIADLP O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499021223 908397170 /nfs/dbraw/zinc/39/71/70/908397170.db2.gz LUGCIOODIJJVGR-QFIPXVFZSA-N 2 2 413.562 4.150 20 0 HIADLP COc1ccc(-n2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n2)cc1 ZINC000499148790 908508116 /nfs/dbraw/zinc/50/81/16/908508116.db2.gz DSIXOFXVCQOEBO-VILGAWFOSA-N 2 2 402.542 4.166 20 0 HIADLP COc1ccc(-n2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2)cc1 ZINC000499148790 908508121 /nfs/dbraw/zinc/50/81/21/908508121.db2.gz DSIXOFXVCQOEBO-VILGAWFOSA-N 2 2 402.542 4.166 20 0 HIADLP C[C@@H](c1ccncc1)[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000499176991 908531202 /nfs/dbraw/zinc/53/12/02/908531202.db2.gz NTYQMBOTTLMKCN-PCWWUVHHSA-N 2 2 404.602 4.392 20 0 HIADLP C[C@@H](c1ccncc1)[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000499176991 908531214 /nfs/dbraw/zinc/53/12/14/908531214.db2.gz NTYQMBOTTLMKCN-PCWWUVHHSA-N 2 2 404.602 4.392 20 0 HIADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)c1ccco1 ZINC000500113760 909595110 /nfs/dbraw/zinc/59/51/10/909595110.db2.gz PVFBQWYWYLMJRN-ILWGZMRPSA-N 2 2 423.561 4.263 20 0 HIADLP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH]c[nH+]1)[NH+](C)C ZINC000502094289 911031829 /nfs/dbraw/zinc/03/18/29/911031829.db2.gz CIWOCTDFYBGYET-IBGZPJMESA-N 2 2 411.377 4.264 20 0 HIADLP CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH+]c[nH]1)[NH+](C)C ZINC000502094289 911031849 /nfs/dbraw/zinc/03/18/49/911031849.db2.gz CIWOCTDFYBGYET-IBGZPJMESA-N 2 2 411.377 4.264 20 0 HIADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000513223888 921638525 /nfs/dbraw/zinc/63/85/25/921638525.db2.gz OQYMXSNTESXNEW-SFHVURJKSA-N 2 2 401.514 4.049 20 0 HIADLP Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3[nH+]cc4n3CCCC4)C1)OCO2 ZINC000502323618 911301468 /nfs/dbraw/zinc/30/14/68/911301468.db2.gz XLJLSOVPSDVXRE-CQSZACIVSA-N 2 2 418.335 4.090 20 0 HIADLP Brc1cc2c(cc1C[N@H+]1CCC[C@@H](c3[nH+]cc4n3CCCC4)C1)OCO2 ZINC000502323618 911301490 /nfs/dbraw/zinc/30/14/90/911301490.db2.gz XLJLSOVPSDVXRE-CQSZACIVSA-N 2 2 418.335 4.090 20 0 HIADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503051079 912013964 /nfs/dbraw/zinc/01/39/64/912013964.db2.gz FYXYYYYWIPJHPV-PBHICJAKSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000503051079 912013982 /nfs/dbraw/zinc/01/39/82/912013982.db2.gz FYXYYYYWIPJHPV-PBHICJAKSA-N 2 2 401.308 4.384 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000503070259 912038820 /nfs/dbraw/zinc/03/88/20/912038820.db2.gz AYEOIONVYFGHMK-CDHQVMDDSA-N 2 2 421.372 4.437 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000503070259 912038835 /nfs/dbraw/zinc/03/88/35/912038835.db2.gz AYEOIONVYFGHMK-CDHQVMDDSA-N 2 2 421.372 4.437 20 0 HIADLP c1ncn(Cc2ccc(-c3ccccc3C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2)n1 ZINC000513384119 921757166 /nfs/dbraw/zinc/75/71/66/921757166.db2.gz MXYFSDRGCNDKJU-UHFFFAOYSA-N 2 2 424.552 4.147 20 0 HIADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000506687190 915364254 /nfs/dbraw/zinc/36/42/54/915364254.db2.gz CDZRXTYILWTAFC-UHFFFAOYSA-N 2 2 418.379 4.339 20 0 HIADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000506687190 915364278 /nfs/dbraw/zinc/36/42/78/915364278.db2.gz CDZRXTYILWTAFC-UHFFFAOYSA-N 2 2 418.379 4.339 20 0 HIADLP CC(C)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc(F)c1 ZINC000506944363 915749557 /nfs/dbraw/zinc/74/95/57/915749557.db2.gz CJXCMFRHGYTRSS-UHFFFAOYSA-N 2 2 415.578 4.224 20 0 HIADLP CC(C)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc(F)c1 ZINC000506944363 915749573 /nfs/dbraw/zinc/74/95/73/915749573.db2.gz CJXCMFRHGYTRSS-UHFFFAOYSA-N 2 2 415.578 4.224 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000507071741 915852633 /nfs/dbraw/zinc/85/26/33/915852633.db2.gz GBKCLAILYBWIIV-GGAORHGYSA-N 2 2 423.605 4.192 20 0 HIADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000507071744 915853057 /nfs/dbraw/zinc/85/30/57/915853057.db2.gz GBKCLAILYBWIIV-JTHBVZDNSA-N 2 2 423.605 4.192 20 0 HIADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000507521551 916282357 /nfs/dbraw/zinc/28/23/57/916282357.db2.gz YXVBORRUXDYTPI-UBFVSLLYSA-N 2 2 400.570 4.126 20 0 HIADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000507521551 916282378 /nfs/dbraw/zinc/28/23/78/916282378.db2.gz YXVBORRUXDYTPI-UBFVSLLYSA-N 2 2 400.570 4.126 20 0 HIADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000507749773 916539183 /nfs/dbraw/zinc/53/91/83/916539183.db2.gz TZTPOKZNRMWUFI-GOSISDBHSA-N 2 2 414.431 4.107 20 0 HIADLP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000508013207 916851587 /nfs/dbraw/zinc/85/15/87/916851587.db2.gz NXROFUHXIYBEPV-UHFFFAOYSA-N 2 2 404.558 4.133 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000508067883 916890637 /nfs/dbraw/zinc/89/06/37/916890637.db2.gz AQBRQDOVNGKESK-SFHVURJKSA-N 2 2 424.372 4.286 20 0 HIADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000508067883 916890639 /nfs/dbraw/zinc/89/06/39/916890639.db2.gz AQBRQDOVNGKESK-SFHVURJKSA-N 2 2 424.372 4.286 20 0 HIADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508807151 917560563 /nfs/dbraw/zinc/56/05/63/917560563.db2.gz BTVONZSLMFVSTD-NRFANRHFSA-N 2 2 414.431 4.265 20 0 HIADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508807151 917560568 /nfs/dbraw/zinc/56/05/68/917560568.db2.gz BTVONZSLMFVSTD-NRFANRHFSA-N 2 2 414.431 4.265 20 0 HIADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccsc2Br)CC1 ZINC000509443862 918098221 /nfs/dbraw/zinc/09/82/21/918098221.db2.gz HZWJEFUWDSZTMG-UHFFFAOYSA-N 2 2 414.800 4.206 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509453473 918105696 /nfs/dbraw/zinc/10/56/96/918105696.db2.gz YLNPHGBFOWEWFG-RRPNLBNLSA-N 2 2 423.564 4.334 20 0 HIADLP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000509453473 918105708 /nfs/dbraw/zinc/10/57/08/918105708.db2.gz YLNPHGBFOWEWFG-RRPNLBNLSA-N 2 2 423.564 4.334 20 0 HIADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccco1 ZINC000509569496 918219521 /nfs/dbraw/zinc/21/95/21/918219521.db2.gz NEHFWKYBBSQKIO-OOIKZJQMSA-N 2 2 421.545 4.133 20 0 HIADLP CN(c1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1)C1CC[NH+](C)CC1 ZINC000562359785 945064145 /nfs/dbraw/zinc/06/41/45/945064145.db2.gz FPRBAGWHUVGNQX-XMMPIXPASA-N 2 2 415.528 4.069 20 0 HIADLP CN(c1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1)C1CC[NH+](C)CC1 ZINC000562359785 945064150 /nfs/dbraw/zinc/06/41/50/945064150.db2.gz FPRBAGWHUVGNQX-XMMPIXPASA-N 2 2 415.528 4.069 20 0 HIADLP CCC[NH+]1CCC([N@H+](C)Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000510412434 918881509 /nfs/dbraw/zinc/88/15/09/918881509.db2.gz LZTNMAXHZBNFTQ-UHFFFAOYSA-N 2 2 405.384 4.249 20 0 HIADLP CCC[NH+]1CCC([N@@H+](C)Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000510412434 918881511 /nfs/dbraw/zinc/88/15/11/918881511.db2.gz LZTNMAXHZBNFTQ-UHFFFAOYSA-N 2 2 405.384 4.249 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4ccc(Br)cc43)[nH+]c2)C1 ZINC000510686833 919125408 /nfs/dbraw/zinc/12/54/08/919125408.db2.gz VPJHIOJZENXLOB-IEBWSBKVSA-N 2 2 401.352 4.084 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000510783929 919246314 /nfs/dbraw/zinc/24/63/14/919246314.db2.gz ZWPIXQBDQGQLGI-UHFFFAOYSA-N 2 2 406.555 4.024 20 0 HIADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000510947244 919474940 /nfs/dbraw/zinc/47/49/40/919474940.db2.gz QIHQTIAVTZFGBR-AUSIDOKSSA-N 2 2 410.558 4.190 20 0 HIADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000510947244 919474973 /nfs/dbraw/zinc/47/49/73/919474973.db2.gz QIHQTIAVTZFGBR-AUSIDOKSSA-N 2 2 410.558 4.190 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)C1CC1 ZINC000511522854 920139843 /nfs/dbraw/zinc/13/98/43/920139843.db2.gz SYNRTOFMZUIEBC-RMKNXTFCSA-N 2 2 403.570 4.142 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)C1CC1 ZINC000511522854 920139847 /nfs/dbraw/zinc/13/98/47/920139847.db2.gz SYNRTOFMZUIEBC-RMKNXTFCSA-N 2 2 403.570 4.142 20 0 HIADLP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000512291721 921047005 /nfs/dbraw/zinc/04/70/05/921047005.db2.gz LPQHODFFCMTQAQ-OAQYLSRUSA-N 2 2 405.464 4.121 20 0 HIADLP FC(F)(F)COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000512291721 921047018 /nfs/dbraw/zinc/04/70/18/921047018.db2.gz LPQHODFFCMTQAQ-OAQYLSRUSA-N 2 2 405.464 4.121 20 0 HIADLP FC(F)(F)COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000512291721 921047027 /nfs/dbraw/zinc/04/70/27/921047027.db2.gz LPQHODFFCMTQAQ-OAQYLSRUSA-N 2 2 405.464 4.121 20 0 HIADLP FC(F)(F)COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000512291721 921047046 /nfs/dbraw/zinc/04/70/46/921047046.db2.gz LPQHODFFCMTQAQ-OAQYLSRUSA-N 2 2 405.464 4.121 20 0 HIADLP C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512314621 921065174 /nfs/dbraw/zinc/06/51/74/921065174.db2.gz PGWWVUPPDVQEKL-IBGZPJMESA-N 2 2 423.384 4.330 20 0 HIADLP C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512314621 921065188 /nfs/dbraw/zinc/06/51/88/921065188.db2.gz PGWWVUPPDVQEKL-IBGZPJMESA-N 2 2 423.384 4.330 20 0 HIADLP Cc1cc(Br)ccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512359241 921101373 /nfs/dbraw/zinc/10/13/73/921101373.db2.gz CUHSARPSHHILBP-UHFFFAOYSA-N 2 2 402.380 4.291 20 0 HIADLP Cc1cc(Br)ccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512359241 921101386 /nfs/dbraw/zinc/10/13/86/921101386.db2.gz CUHSARPSHHILBP-UHFFFAOYSA-N 2 2 402.380 4.291 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000512365499 921106718 /nfs/dbraw/zinc/10/67/18/921106718.db2.gz ZOPQDSYJVWXYJS-UHFFFAOYSA-N 2 2 400.324 4.046 20 0 HIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C2CC[NH+](CCO)CC2)c(C)c1 ZINC000513569723 921903314 /nfs/dbraw/zinc/90/33/14/921903314.db2.gz VLOIOZDTTYULCO-UHFFFAOYSA-N 2 2 418.585 4.045 20 0 HIADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C2CC[NH+](CCO)CC2)c(C)c1 ZINC000513569723 921903324 /nfs/dbraw/zinc/90/33/24/921903324.db2.gz VLOIOZDTTYULCO-UHFFFAOYSA-N 2 2 418.585 4.045 20 0 HIADLP CC[N@H+](CCCO[C@@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514117765 922449978 /nfs/dbraw/zinc/44/99/78/922449978.db2.gz AUCZHOHHGOHZQJ-JOCHJYFZSA-N 2 2 404.599 4.132 20 0 HIADLP CC[N@@H+](CCCO[C@@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514117765 922449992 /nfs/dbraw/zinc/44/99/92/922449992.db2.gz AUCZHOHHGOHZQJ-JOCHJYFZSA-N 2 2 404.599 4.132 20 0 HIADLP CC1CC[NH+]([C@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccc2)CC1 ZINC000516641107 923826258 /nfs/dbraw/zinc/82/62/58/923826258.db2.gz LPAKWQVHTYHUHB-XMMPIXPASA-N 2 2 417.557 4.145 20 0 HIADLP CCCCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1OCC ZINC000517203114 924051177 /nfs/dbraw/zinc/05/11/77/924051177.db2.gz LIFFRZOTEZWFCQ-AIZNXBIQSA-N 2 2 415.622 4.007 20 0 HIADLP CCCCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1OCC ZINC000517203114 924051185 /nfs/dbraw/zinc/05/11/85/924051185.db2.gz LIFFRZOTEZWFCQ-AIZNXBIQSA-N 2 2 415.622 4.007 20 0 HIADLP Brc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OCc1ccccc1 ZINC000520463094 928579244 /nfs/dbraw/zinc/57/92/44/928579244.db2.gz QGGFEFQIUJXCKH-QGZVFWFLSA-N 2 2 412.331 4.398 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)c1ccccc1 ZINC000520491655 928596689 /nfs/dbraw/zinc/59/66/89/928596689.db2.gz KBVXJXDDASIMIR-YLJYHZDGSA-N 2 2 400.592 4.397 20 0 HIADLP CC[NH+](CC)[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)c1ccccc1 ZINC000520491655 928596695 /nfs/dbraw/zinc/59/66/95/928596695.db2.gz KBVXJXDDASIMIR-YLJYHZDGSA-N 2 2 400.592 4.397 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000521836574 929487884 /nfs/dbraw/zinc/48/78/84/929487884.db2.gz LEKIYQZSFGMCSG-LEWJYISDSA-N 2 2 417.644 4.037 20 0 HIADLP C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000524878038 929869004 /nfs/dbraw/zinc/86/90/04/929869004.db2.gz UXCJXORHEAWTEW-HXUWFJFHSA-N 2 2 412.622 4.118 20 0 HIADLP CC(C)c1nc2cc(NC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)ccc2o1 ZINC000525746786 930426087 /nfs/dbraw/zinc/42/60/87/930426087.db2.gz JJUISGAENRCCBV-UHFFFAOYSA-N 2 2 413.566 4.023 20 0 HIADLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(Br)cc1F ZINC000525857692 930469565 /nfs/dbraw/zinc/46/95/65/930469565.db2.gz SRMDYUCVMSRHHP-IIBYNOLFSA-N 2 2 420.370 4.228 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000530646845 930786069 /nfs/dbraw/zinc/78/60/69/930786069.db2.gz OTEBBGUMSRQCAV-SFHVURJKSA-N 2 2 407.537 4.209 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000531299394 931007674 /nfs/dbraw/zinc/00/76/74/931007674.db2.gz HOZQJJWWTZELMS-UNMCSNQZSA-N 2 2 402.542 4.306 20 0 HIADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000531299394 931007683 /nfs/dbraw/zinc/00/76/83/931007683.db2.gz HOZQJJWWTZELMS-UNMCSNQZSA-N 2 2 402.542 4.306 20 0 HIADLP CN(c1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000531851202 931220646 /nfs/dbraw/zinc/22/06/46/931220646.db2.gz KANNQJWSYVXPBD-UHFFFAOYSA-N 3 2 420.645 4.014 20 0 HIADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000531951563 931260686 /nfs/dbraw/zinc/26/06/86/931260686.db2.gz INBJJYGNQDFRPY-HNNXBMFYSA-N 2 2 413.319 4.142 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000531959354 931265492 /nfs/dbraw/zinc/26/54/92/931265492.db2.gz YTQBTUWUKDTGMZ-MOPGFXCFSA-N 3 2 421.564 4.483 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000532447216 931438289 /nfs/dbraw/zinc/43/82/89/931438289.db2.gz XOLMLCVXUDWROK-OAQYLSRUSA-N 3 2 417.601 4.169 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC000532586097 931542103 /nfs/dbraw/zinc/54/21/03/931542103.db2.gz UDGBYEBMNUELKC-YKSBVNFPSA-N 2 2 423.601 4.146 20 0 HIADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)ccc2c1 ZINC000532586097 931542118 /nfs/dbraw/zinc/54/21/18/931542118.db2.gz UDGBYEBMNUELKC-YKSBVNFPSA-N 2 2 423.601 4.146 20 0 HIADLP CCOc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1OC(F)F ZINC000532675807 931579883 /nfs/dbraw/zinc/57/98/83/931579883.db2.gz KSIMNUCODRHPFJ-UHFFFAOYSA-N 2 2 420.504 4.224 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(F)cc3Br)[nH+]c2)CC1 ZINC000532865812 931672051 /nfs/dbraw/zinc/67/20/51/931672051.db2.gz JDBVGWRXHFPUEJ-UHFFFAOYSA-N 2 2 407.331 4.126 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(OCc4ccccn4)c3)[nH+]c2)CC1 ZINC000533187347 931804681 /nfs/dbraw/zinc/80/46/81/931804681.db2.gz SNRCTACATRZYOY-UHFFFAOYSA-N 2 2 417.557 4.198 20 0 HIADLP CC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000533305036 931834374 /nfs/dbraw/zinc/83/43/74/931834374.db2.gz MRTUYOQPYBRJJY-UHFFFAOYSA-N 2 2 411.937 4.122 20 0 HIADLP CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000533305036 931834376 /nfs/dbraw/zinc/83/43/76/931834376.db2.gz MRTUYOQPYBRJJY-UHFFFAOYSA-N 2 2 411.937 4.122 20 0 HIADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000533426327 931864875 /nfs/dbraw/zinc/86/48/75/931864875.db2.gz ABFLUKIGEOKUDU-AOYPEHQESA-N 2 2 417.597 4.111 20 0 HIADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000533426327 931864877 /nfs/dbraw/zinc/86/48/77/931864877.db2.gz ABFLUKIGEOKUDU-AOYPEHQESA-N 2 2 417.597 4.111 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534206381 932331381 /nfs/dbraw/zinc/33/13/81/932331381.db2.gz CNSQYROXDDVGLP-PKTZIBPZSA-N 2 2 416.610 4.195 20 0 HIADLP CCOc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000534206381 932331391 /nfs/dbraw/zinc/33/13/91/932331391.db2.gz CNSQYROXDDVGLP-PKTZIBPZSA-N 2 2 416.610 4.195 20 0 HIADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534230359 932349931 /nfs/dbraw/zinc/34/99/31/932349931.db2.gz YLTPHXAMBBZJMJ-FQEVSTJZSA-N 2 2 419.569 4.204 20 0 HIADLP CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534230359 932349940 /nfs/dbraw/zinc/34/99/40/932349940.db2.gz YLTPHXAMBBZJMJ-FQEVSTJZSA-N 2 2 419.569 4.204 20 0 HIADLP Cc1ccc(CCCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534358175 932391824 /nfs/dbraw/zinc/39/18/24/932391824.db2.gz HTKDGVXWTMBRIH-FGZHOGPDSA-N 2 2 405.652 4.175 20 0 HIADLP Cc1ccc(CCCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000534358175 932391829 /nfs/dbraw/zinc/39/18/29/932391829.db2.gz HTKDGVXWTMBRIH-FGZHOGPDSA-N 2 2 405.652 4.175 20 0 HIADLP CN(C(=O)c1csc2c1CCCC2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361018 932395054 /nfs/dbraw/zinc/39/50/54/932395054.db2.gz AZWZYSPTYLMYMB-NHCUHLMSSA-N 2 2 403.636 4.036 20 0 HIADLP CN(C(=O)c1csc2c1CCCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361018 932395059 /nfs/dbraw/zinc/39/50/59/932395059.db2.gz AZWZYSPTYLMYMB-NHCUHLMSSA-N 2 2 403.636 4.036 20 0 HIADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000534599246 932586318 /nfs/dbraw/zinc/58/63/18/932586318.db2.gz WWVKLZHHQIIYGE-GOSISDBHSA-N 2 2 407.562 4.234 20 0 HIADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000534599246 932586341 /nfs/dbraw/zinc/58/63/41/932586341.db2.gz WWVKLZHHQIIYGE-GOSISDBHSA-N 2 2 407.562 4.234 20 0 HIADLP CC[N@@H+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000534842889 932803252 /nfs/dbraw/zinc/80/32/52/932803252.db2.gz KCUXTJBLHXCMFO-UHFFFAOYSA-N 2 2 411.575 4.147 20 0 HIADLP CC[N@H+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000534842889 932803254 /nfs/dbraw/zinc/80/32/54/932803254.db2.gz KCUXTJBLHXCMFO-UHFFFAOYSA-N 2 2 411.575 4.147 20 0 HIADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000534930972 932843554 /nfs/dbraw/zinc/84/35/54/932843554.db2.gz WVMYRJJHRUIZTN-WOJBJXKFSA-N 2 2 423.001 4.150 20 0 HIADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000534930972 932843558 /nfs/dbraw/zinc/84/35/58/932843558.db2.gz WVMYRJJHRUIZTN-WOJBJXKFSA-N 2 2 423.001 4.150 20 0 HIADLP CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848803 933430805 /nfs/dbraw/zinc/43/08/05/933430805.db2.gz CLGWUJLNKQVODP-CUDHKJQZSA-N 2 2 417.560 4.151 20 0 HIADLP CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848803 933430816 /nfs/dbraw/zinc/43/08/16/933430816.db2.gz CLGWUJLNKQVODP-CUDHKJQZSA-N 2 2 417.560 4.151 20 0 HIADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000535878198 933459377 /nfs/dbraw/zinc/45/93/77/933459377.db2.gz SYSICKDYRBCLBR-VXNXHJTFSA-N 2 2 414.638 4.425 20 0 HIADLP CC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000535878198 933459383 /nfs/dbraw/zinc/45/93/83/933459383.db2.gz SYSICKDYRBCLBR-VXNXHJTFSA-N 2 2 414.638 4.425 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ncc(Br)s1 ZINC000535987953 933546830 /nfs/dbraw/zinc/54/68/30/933546830.db2.gz MXUDICGQQRRWKS-AWEZNQCLSA-N 2 2 410.381 4.231 20 0 HIADLP CCC[NH+]1CCN(c2ccccc2CNc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000536097686 933650596 /nfs/dbraw/zinc/65/05/96/933650596.db2.gz CEBJEBWGCFMJCH-UHFFFAOYSA-N 2 2 419.573 4.106 20 0 HIADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000537321098 933715471 /nfs/dbraw/zinc/71/54/71/933715471.db2.gz MQXFLEVILZLPMM-OAQYLSRUSA-N 2 2 424.980 4.290 20 0 HIADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(Br)ccc1F ZINC000537455656 933780665 /nfs/dbraw/zinc/78/06/65/933780665.db2.gz JIYUYMGUNAVMDX-CZUORRHYSA-N 2 2 407.331 4.297 20 0 HIADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(C2CCCC2)s1 ZINC000537621472 938336419 /nfs/dbraw/zinc/33/64/19/938336419.db2.gz RUHHMDASPPFFBJ-UHFFFAOYSA-N 3 2 404.668 4.429 20 0 HIADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(C2CCCC2)s1 ZINC000537621472 938336421 /nfs/dbraw/zinc/33/64/21/938336421.db2.gz RUHHMDASPPFFBJ-UHFFFAOYSA-N 3 2 404.668 4.429 20 0 HIADLP CC[N@H+](Cc1ccc(OC)c(OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537627465 938339374 /nfs/dbraw/zinc/33/93/74/938339374.db2.gz TZGCTPSOQHMFEQ-UHFFFAOYSA-N 2 2 412.578 4.417 20 0 HIADLP CC[N@@H+](Cc1ccc(OC)c(OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537627465 938339378 /nfs/dbraw/zinc/33/93/78/938339378.db2.gz TZGCTPSOQHMFEQ-UHFFFAOYSA-N 2 2 412.578 4.417 20 0 HIADLP CC[N@H+](Cc1cnn(CC(F)(F)F)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537629376 938340643 /nfs/dbraw/zinc/34/06/43/938340643.db2.gz DQWZRPLCRGHKCF-UHFFFAOYSA-N 2 2 424.515 4.158 20 0 HIADLP CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000537629376 938340647 /nfs/dbraw/zinc/34/06/47/938340647.db2.gz DQWZRPLCRGHKCF-UHFFFAOYSA-N 2 2 424.515 4.158 20 0 HIADLP COCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000537695301 938356929 /nfs/dbraw/zinc/35/69/29/938356929.db2.gz JNUQDQZYJQJJDW-DNQXCXABSA-N 2 2 424.585 4.207 20 0 HIADLP COCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000537695301 938356930 /nfs/dbraw/zinc/35/69/30/938356930.db2.gz JNUQDQZYJQJJDW-DNQXCXABSA-N 2 2 424.585 4.207 20 0 HIADLP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC000537695301 938356931 /nfs/dbraw/zinc/35/69/31/938356931.db2.gz JNUQDQZYJQJJDW-DNQXCXABSA-N 2 2 424.585 4.207 20 0 HIADLP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1OC ZINC000537695301 938356932 /nfs/dbraw/zinc/35/69/32/938356932.db2.gz JNUQDQZYJQJJDW-DNQXCXABSA-N 2 2 424.585 4.207 20 0 HIADLP Brc1ccc(-n2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000537697252 938358053 /nfs/dbraw/zinc/35/80/53/938358053.db2.gz NTKOLFKWHZYYDZ-DYESRHJHSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000537697252 938358057 /nfs/dbraw/zinc/35/80/57/938358057.db2.gz NTKOLFKWHZYYDZ-DYESRHJHSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2)cc1 ZINC000537697252 938358061 /nfs/dbraw/zinc/35/80/61/938358061.db2.gz NTKOLFKWHZYYDZ-DYESRHJHSA-N 2 2 415.379 4.084 20 0 HIADLP Brc1ccc(-n2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000537697252 938358064 /nfs/dbraw/zinc/35/80/64/938358064.db2.gz NTKOLFKWHZYYDZ-DYESRHJHSA-N 2 2 415.379 4.084 20 0 HIADLP CN(c1ccccc1CNc1ccccc1OCCn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000537729863 938364864 /nfs/dbraw/zinc/36/48/64/938364864.db2.gz RVSVENYWWFUXMS-UHFFFAOYSA-N 2 2 419.573 4.105 20 0 HIADLP CCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)cc1 ZINC000538201561 938552173 /nfs/dbraw/zinc/55/21/73/938552173.db2.gz PDVWFDOKEYXLDB-HNNXBMFYSA-N 2 2 404.605 4.140 20 0 HIADLP CSCc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538353599 938602029 /nfs/dbraw/zinc/60/20/29/938602029.db2.gz DJZBHJDRBJJVLM-FCHUYYIVSA-N 2 2 418.651 4.351 20 0 HIADLP CSCc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000538353599 938602033 /nfs/dbraw/zinc/60/20/33/938602033.db2.gz DJZBHJDRBJJVLM-FCHUYYIVSA-N 2 2 418.651 4.351 20 0 HIADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1Br ZINC000538557313 938648519 /nfs/dbraw/zinc/64/85/19/938648519.db2.gz JRYJAFHWGVLGCJ-CJNGLKHVSA-N 2 2 407.331 4.297 20 0 HIADLP COCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000538732935 938696002 /nfs/dbraw/zinc/69/60/02/938696002.db2.gz DJCZLFQNUBXXTF-NFBKMPQASA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000538732935 938696004 /nfs/dbraw/zinc/69/60/04/938696004.db2.gz DJCZLFQNUBXXTF-NFBKMPQASA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000538732935 938696006 /nfs/dbraw/zinc/69/60/06/938696006.db2.gz DJCZLFQNUBXXTF-NFBKMPQASA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000538732935 938696009 /nfs/dbraw/zinc/69/60/09/938696009.db2.gz DJCZLFQNUBXXTF-NFBKMPQASA-N 2 2 412.574 4.205 20 0 HIADLP COCCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1OC ZINC000538733422 938696548 /nfs/dbraw/zinc/69/65/48/938696548.db2.gz PSSQMSGFSJGKHZ-AREMUKBSSA-N 2 2 424.585 4.209 20 0 HIADLP COCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1OC ZINC000538733422 938696552 /nfs/dbraw/zinc/69/65/52/938696552.db2.gz PSSQMSGFSJGKHZ-AREMUKBSSA-N 2 2 424.585 4.209 20 0 HIADLP COCCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1OC ZINC000538733422 938696555 /nfs/dbraw/zinc/69/65/55/938696555.db2.gz PSSQMSGFSJGKHZ-AREMUKBSSA-N 2 2 424.585 4.209 20 0 HIADLP COCCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1OC ZINC000538733422 938696556 /nfs/dbraw/zinc/69/65/56/938696556.db2.gz PSSQMSGFSJGKHZ-AREMUKBSSA-N 2 2 424.585 4.209 20 0 HIADLP C[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](CCc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539046638 938782026 /nfs/dbraw/zinc/78/20/26/938782026.db2.gz KLDDKKLSAFBDFD-PQNGQFLHSA-N 2 2 415.984 4.379 20 0 HIADLP C[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](CCc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539046638 938782032 /nfs/dbraw/zinc/78/20/32/938782032.db2.gz KLDDKKLSAFBDFD-PQNGQFLHSA-N 2 2 415.984 4.379 20 0 HIADLP C[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539046638 938782037 /nfs/dbraw/zinc/78/20/37/938782037.db2.gz KLDDKKLSAFBDFD-PQNGQFLHSA-N 2 2 415.984 4.379 20 0 HIADLP C[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539046638 938782039 /nfs/dbraw/zinc/78/20/39/938782039.db2.gz KLDDKKLSAFBDFD-PQNGQFLHSA-N 2 2 415.984 4.379 20 0 HIADLP c1ccc(CCC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c2ccccc2)cc1 ZINC000539072848 938794055 /nfs/dbraw/zinc/79/40/55/938794055.db2.gz UHMXKECWBUUWAX-HHHXNRCGSA-N 2 2 421.629 4.137 20 0 HIADLP CCN1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539199103 938818511 /nfs/dbraw/zinc/81/85/11/938818511.db2.gz YFWABLDAYSUZND-UNMCSNQZSA-N 2 2 402.945 4.268 20 0 HIADLP COc1cc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)ccc1OC(F)F ZINC000539658178 938895389 /nfs/dbraw/zinc/89/53/89/938895389.db2.gz RWMHINBOKJDZGK-RHSMWYFYSA-N 2 2 406.477 4.005 20 0 HIADLP Cc1ccc(NC(=O)C[C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)c1 ZINC000539692007 938903339 /nfs/dbraw/zinc/90/33/39/938903339.db2.gz WHFROIJOGRLVHV-IBGZPJMESA-N 2 2 409.578 4.058 20 0 HIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[N@@H+]1C ZINC000539818334 938942338 /nfs/dbraw/zinc/94/23/38/938942338.db2.gz WISGZCVTPHMSHD-JXFKEZNVSA-N 2 2 418.379 4.338 20 0 HIADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[N@H+]1C ZINC000539818334 938942343 /nfs/dbraw/zinc/94/23/43/938942343.db2.gz WISGZCVTPHMSHD-JXFKEZNVSA-N 2 2 418.379 4.338 20 0 HIADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[NH+]1C ZINC000539818334 938942347 /nfs/dbraw/zinc/94/23/47/938942347.db2.gz WISGZCVTPHMSHD-JXFKEZNVSA-N 2 2 418.379 4.338 20 0 HIADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)ccc2OCc2ccccn2)CC[NH+]1C ZINC000539818334 938942349 /nfs/dbraw/zinc/94/23/49/938942349.db2.gz WISGZCVTPHMSHD-JXFKEZNVSA-N 2 2 418.379 4.338 20 0 HIADLP CC[N@H+](Cc1cnc2ccc(C)cn12)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539830072 938950025 /nfs/dbraw/zinc/95/00/25/938950025.db2.gz NXRAAHJMMOBPBY-UHFFFAOYSA-N 2 2 406.578 4.355 20 0 HIADLP CC[N@@H+](Cc1cnc2ccc(C)cn12)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000539830072 938950028 /nfs/dbraw/zinc/95/00/28/938950028.db2.gz NXRAAHJMMOBPBY-UHFFFAOYSA-N 2 2 406.578 4.355 20 0 HIADLP COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000539832395 938952132 /nfs/dbraw/zinc/95/21/32/938952132.db2.gz TYNMSLFHBRTSBR-RUZDIDTESA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000539832395 938952140 /nfs/dbraw/zinc/95/21/40/938952140.db2.gz TYNMSLFHBRTSBR-RUZDIDTESA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(OC)c(OC)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000539832395 938952148 /nfs/dbraw/zinc/95/21/48/938952148.db2.gz TYNMSLFHBRTSBR-RUZDIDTESA-N 2 2 410.558 4.201 20 0 HIADLP COc1cc(OC)c(OC)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000539832395 938952152 /nfs/dbraw/zinc/95/21/52/938952152.db2.gz TYNMSLFHBRTSBR-RUZDIDTESA-N 2 2 410.558 4.201 20 0 HIADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000540418385 939241382 /nfs/dbraw/zinc/24/13/82/939241382.db2.gz ZQUDKMDJARAHBK-BJKOFHAPSA-N 2 2 423.582 4.044 20 0 HIADLP Fc1cc(-c2noc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)n2)cc(F)c1F ZINC000541201197 939485269 /nfs/dbraw/zinc/48/52/69/939485269.db2.gz CGDOZOJSWZKIHR-UHFFFAOYSA-N 2 2 405.424 4.043 20 0 HIADLP CCc1ccc([C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000541406710 939507485 /nfs/dbraw/zinc/50/74/85/939507485.db2.gz PBFSHVHMLZYSEN-VWNXMTODSA-N 2 2 422.617 4.475 20 0 HIADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000541744104 939618901 /nfs/dbraw/zinc/61/89/01/939618901.db2.gz BXEBEJKYGYGINM-RPWUZVMVSA-N 2 2 423.582 4.115 20 0 HIADLP CC[N@H+](CCC1CC[NH+](Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1)CC(C)C ZINC000541987377 939671094 /nfs/dbraw/zinc/67/10/94/939671094.db2.gz YRKWUHJTNYLITE-UHFFFAOYSA-N 2 2 408.652 4.449 20 0 HIADLP CC[N@@H+](CCC1CC[NH+](Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1)CC(C)C ZINC000541987377 939671095 /nfs/dbraw/zinc/67/10/95/939671095.db2.gz YRKWUHJTNYLITE-UHFFFAOYSA-N 2 2 408.652 4.449 20 0 HIADLP C[N@H+](CCCc1ccccc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000542278732 939782587 /nfs/dbraw/zinc/78/25/87/939782587.db2.gz JZVKCNZUJUFPCH-UHFFFAOYSA-N 2 2 416.407 4.416 20 0 HIADLP C[N@@H+](CCCc1ccccc1Br)C1CC[NH+](CCc2ccccn2)CC1 ZINC000542278732 939782597 /nfs/dbraw/zinc/78/25/97/939782597.db2.gz JZVKCNZUJUFPCH-UHFFFAOYSA-N 2 2 416.407 4.416 20 0 HIADLP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542335714 939802777 /nfs/dbraw/zinc/80/27/77/939802777.db2.gz CQXUVKGMWGQIFE-VWNXMTODSA-N 2 2 420.601 4.447 20 0 HIADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000542445181 939824177 /nfs/dbraw/zinc/82/41/77/939824177.db2.gz UVTKBTIXJBSKPG-HSZRJFAPSA-N 2 2 422.617 4.392 20 0 HIADLP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000542470148 939828373 /nfs/dbraw/zinc/82/83/73/939828373.db2.gz CYPJZEPZRIPBTD-VWLOTQADSA-N 2 2 405.517 4.057 20 0 HIADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000543045970 939908560 /nfs/dbraw/zinc/90/85/60/939908560.db2.gz PBYSRAHUDGZYKX-FQEVSTJZSA-N 2 2 411.594 4.214 20 0 HIADLP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543061654 939916203 /nfs/dbraw/zinc/91/62/03/939916203.db2.gz LHBCJBQMPDCIFB-KRWDZBQOSA-N 2 2 418.969 4.373 20 0 HIADLP C[C@H](Cc1ccccc1Cl)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000543108253 939947853 /nfs/dbraw/zinc/94/78/53/939947853.db2.gz QPSDWUIBXDDDBH-SXSPYAJSSA-N 2 2 420.041 4.314 20 0 HIADLP C[C@H](Cc1ccccc1Cl)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000543108253 939947867 /nfs/dbraw/zinc/94/78/67/939947867.db2.gz QPSDWUIBXDDDBH-SXSPYAJSSA-N 2 2 420.041 4.314 20 0 HIADLP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000543400655 940052271 /nfs/dbraw/zinc/05/22/71/940052271.db2.gz IDVPUEDMVOOXTK-RUZDIDTESA-N 2 2 405.517 4.057 20 0 HIADLP Cc1cc(N2CCC([NH2+][C@H](c3cccnc3)c3ccc(F)cc3F)CC2)nc(C)[nH+]1 ZINC000543405121 940054166 /nfs/dbraw/zinc/05/41/66/940054166.db2.gz VWHVQQMZYAELCO-HSZRJFAPSA-N 2 2 409.484 4.115 20 0 HIADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458964 940068826 /nfs/dbraw/zinc/06/88/26/940068826.db2.gz LOEOBFHRKAYZFX-XYJFISCASA-N 2 2 411.546 4.205 20 0 HIADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458964 940068829 /nfs/dbraw/zinc/06/88/29/940068829.db2.gz LOEOBFHRKAYZFX-XYJFISCASA-N 2 2 411.546 4.205 20 0 HIADLP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1cccs1 ZINC000543988557 940284768 /nfs/dbraw/zinc/28/47/68/940284768.db2.gz BHGJKEKKNUOIAO-NRFANRHFSA-N 2 2 402.608 4.340 20 0 HIADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000544198854 940352261 /nfs/dbraw/zinc/35/22/61/940352261.db2.gz FJWKAQIXVHVXHC-JTHBVZDNSA-N 2 2 408.590 4.221 20 0 HIADLP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544224208 940359465 /nfs/dbraw/zinc/35/94/65/940359465.db2.gz ASMCKAPEVDXGQI-XZOQPEGZSA-N 2 2 420.601 4.274 20 0 HIADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544224208 940359470 /nfs/dbraw/zinc/35/94/70/940359470.db2.gz ASMCKAPEVDXGQI-XZOQPEGZSA-N 2 2 420.601 4.274 20 0 HIADLP Cn1ccc([C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(Cl)cc2)n1 ZINC000544569308 940481539 /nfs/dbraw/zinc/48/15/39/940481539.db2.gz NMCTVVMBINATCW-XMMPIXPASA-N 2 2 424.976 4.427 20 0 HIADLP Cc1nc(C[NH+]2CCC(c3nc(-c4ccccc4C[NH+]4CCCC4)no3)CC2)cs1 ZINC000544913244 940524682 /nfs/dbraw/zinc/52/46/82/940524682.db2.gz DQFZPGIWVNSCCV-UHFFFAOYSA-N 2 2 423.586 4.477 20 0 HIADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)nc[nH+]1 ZINC000545458058 940570796 /nfs/dbraw/zinc/57/07/96/940570796.db2.gz RRMLSVDLVOTCBN-LEWJYISDSA-N 2 2 422.964 4.109 20 0 HIADLP CC[NH+](CC)CCOc1ccc(-c2noc(Cc3cn4cccc(C)c4[nH+]3)n2)cc1 ZINC000546318383 940781143 /nfs/dbraw/zinc/78/11/43/940781143.db2.gz OGRASAJOVVXSQI-UHFFFAOYSA-N 2 2 405.502 4.004 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000546619311 940861394 /nfs/dbraw/zinc/86/13/94/940861394.db2.gz MDZBCVBBYSBOCH-FQEBHOFPSA-N 2 2 418.581 4.291 20 0 HIADLP C[C@H](CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546667081 940867513 /nfs/dbraw/zinc/86/75/13/940867513.db2.gz CIORXFRKFXCKDP-QDSKXPNFSA-N 2 2 414.638 4.159 20 0 HIADLP C[C@H](CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000546667081 940867516 /nfs/dbraw/zinc/86/75/16/940867516.db2.gz CIORXFRKFXCKDP-QDSKXPNFSA-N 2 2 414.638 4.159 20 0 HIADLP CSCC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000548490915 941108981 /nfs/dbraw/zinc/10/89/81/941108981.db2.gz SQTLSCANECXNEL-TYPHKJRUSA-N 2 2 409.603 4.024 20 0 HIADLP CSCC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000548490915 941108982 /nfs/dbraw/zinc/10/89/82/941108982.db2.gz SQTLSCANECXNEL-TYPHKJRUSA-N 2 2 409.603 4.024 20 0 HIADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000550096788 941284077 /nfs/dbraw/zinc/28/40/77/941284077.db2.gz MRTTWDNFAZJKCG-UHFFFAOYSA-N 2 2 413.993 4.239 20 0 HIADLP CCC1(C[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000550699570 941355598 /nfs/dbraw/zinc/35/55/98/941355598.db2.gz JVHWHCXRZAETDV-JOCHJYFZSA-N 2 2 407.537 4.315 20 0 HIADLP Fc1cc([C@@H]2OCC[C@@H]2[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000551440370 941479794 /nfs/dbraw/zinc/47/97/94/941479794.db2.gz BLRUZUZNJRFPTD-OIBXWCBGSA-N 2 2 418.940 4.190 20 0 HIADLP Fc1cc([C@@H]2OCC[C@@H]2[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000551440370 941479796 /nfs/dbraw/zinc/47/97/96/941479796.db2.gz BLRUZUZNJRFPTD-OIBXWCBGSA-N 2 2 418.940 4.190 20 0 HIADLP C[C@@H](c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1)[NH+]1CCOCC1 ZINC000552466770 941678976 /nfs/dbraw/zinc/67/89/76/941678976.db2.gz KIDMLHHYBWLVRW-FQEVSTJZSA-N 2 2 407.558 4.318 20 0 HIADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)Nc1nccs1 ZINC000552930015 941804923 /nfs/dbraw/zinc/80/49/23/941804923.db2.gz JMRUUZKOTSIBMG-HOJAQTOUSA-N 2 2 400.592 4.139 20 0 HIADLP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)Nc1nccs1 ZINC000552930015 941804924 /nfs/dbraw/zinc/80/49/24/941804924.db2.gz JMRUUZKOTSIBMG-HOJAQTOUSA-N 2 2 400.592 4.139 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553143238 941839884 /nfs/dbraw/zinc/83/98/84/941839884.db2.gz DFLLRTJGWWBSOH-NFBKMPQASA-N 2 2 402.542 4.055 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553143238 941839885 /nfs/dbraw/zinc/83/98/85/941839885.db2.gz DFLLRTJGWWBSOH-NFBKMPQASA-N 2 2 402.542 4.055 20 0 HIADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554310179 942099167 /nfs/dbraw/zinc/09/91/67/942099167.db2.gz BYQBIUUWSHSONY-GCJKJVERSA-N 2 2 411.615 4.300 20 0 HIADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554310179 942099174 /nfs/dbraw/zinc/09/91/74/942099174.db2.gz BYQBIUUWSHSONY-GCJKJVERSA-N 2 2 411.615 4.300 20 0 HIADLP C[C@H](c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000554838893 942276472 /nfs/dbraw/zinc/27/64/72/942276472.db2.gz PBPJUPCPXJEMNC-MEKIYTOJSA-N 2 2 410.562 4.011 20 0 HIADLP C[C@H](c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000554838893 942276482 /nfs/dbraw/zinc/27/64/82/942276482.db2.gz PBPJUPCPXJEMNC-MEKIYTOJSA-N 2 2 410.562 4.011 20 0 HIADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000555040592 942367321 /nfs/dbraw/zinc/36/73/21/942367321.db2.gz RRRWLIFWMVAVIH-ZEQKJWHPSA-N 2 2 402.538 4.452 20 0 HIADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000555040592 942367327 /nfs/dbraw/zinc/36/73/27/942367327.db2.gz RRRWLIFWMVAVIH-ZEQKJWHPSA-N 2 2 402.538 4.452 20 0 HIADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1sccc1Br)CC2 ZINC000555132580 942397293 /nfs/dbraw/zinc/39/72/93/942397293.db2.gz LJCOADBEVNWNRX-OAHLLOKOSA-N 2 2 412.422 4.454 20 0 HIADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1sccc1Br)CC2 ZINC000555132580 942397299 /nfs/dbraw/zinc/39/72/99/942397299.db2.gz LJCOADBEVNWNRX-OAHLLOKOSA-N 2 2 412.422 4.454 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000559158177 943855398 /nfs/dbraw/zinc/85/53/98/943855398.db2.gz WCGNVZHJZYILMQ-KNXBSLHKSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000559158177 943855399 /nfs/dbraw/zinc/85/53/99/943855399.db2.gz WCGNVZHJZYILMQ-KNXBSLHKSA-N 2 2 422.564 4.004 20 0 HIADLP C[C@H]1CCCN1C(=O)CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000559729930 944038922 /nfs/dbraw/zinc/03/89/22/944038922.db2.gz HEGMFVPPPUYCJF-KRWDZBQOSA-N 2 2 411.512 4.003 20 0 HIADLP C[C@H]1CCCN1C(=O)CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000559729930 944038929 /nfs/dbraw/zinc/03/89/29/944038929.db2.gz HEGMFVPPPUYCJF-KRWDZBQOSA-N 2 2 411.512 4.003 20 0 HIADLP Clc1ccccc1C[NH+]1CCC(C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000559754412 944044746 /nfs/dbraw/zinc/04/47/46/944044746.db2.gz ZYPJJWVWDSCRSS-IBGZPJMESA-N 2 2 401.967 4.111 20 0 HIADLP Ic1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000560289049 944220117 /nfs/dbraw/zinc/22/01/17/944220117.db2.gz SIHWVUVZGILWNP-MRXNPFEDSA-N 2 2 421.326 4.204 20 0 HIADLP Ic1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000560289049 944220132 /nfs/dbraw/zinc/22/01/32/944220132.db2.gz SIHWVUVZGILWNP-MRXNPFEDSA-N 2 2 421.326 4.204 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(C)c1 ZINC000562061418 944917746 /nfs/dbraw/zinc/91/77/46/944917746.db2.gz MCEOSROYHMXWGU-QPTUXGOLSA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(C)c1 ZINC000562061418 944917751 /nfs/dbraw/zinc/91/77/51/944917751.db2.gz MCEOSROYHMXWGU-QPTUXGOLSA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)c1 ZINC000562061418 944917761 /nfs/dbraw/zinc/91/77/61/944917761.db2.gz MCEOSROYHMXWGU-QPTUXGOLSA-N 2 2 405.586 4.393 20 0 HIADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)c1 ZINC000562061418 944917768 /nfs/dbraw/zinc/91/77/68/944917768.db2.gz MCEOSROYHMXWGU-QPTUXGOLSA-N 2 2 405.586 4.393 20 0 HIADLP COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)o2)cc1 ZINC000564327564 945516868 /nfs/dbraw/zinc/51/68/68/945516868.db2.gz XQDNQCNWIWSZPY-UHFFFAOYSA-N 2 2 401.466 4.268 20 0 HIADLP COc1ccc(-c2cnc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)o2)cc1 ZINC000564404244 945557892 /nfs/dbraw/zinc/55/78/92/945557892.db2.gz NXNCGIALZNZRJY-YADHBBJMSA-N 2 2 403.526 4.304 20 0 HIADLP COc1ccc(-c2cnc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)o2)cc1 ZINC000564404244 945557894 /nfs/dbraw/zinc/55/78/94/945557894.db2.gz NXNCGIALZNZRJY-YADHBBJMSA-N 2 2 403.526 4.304 20 0 HIADLP COc1ccc(-c2cnc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)o2)cc1 ZINC000564404244 945557897 /nfs/dbraw/zinc/55/78/97/945557897.db2.gz NXNCGIALZNZRJY-YADHBBJMSA-N 2 2 403.526 4.304 20 0 HIADLP COc1ccc(-c2cnc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)o2)cc1 ZINC000564404244 945557900 /nfs/dbraw/zinc/55/79/00/945557900.db2.gz NXNCGIALZNZRJY-YADHBBJMSA-N 2 2 403.526 4.304 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000565982924 945962227 /nfs/dbraw/zinc/96/22/27/945962227.db2.gz UHEWEORDMZSWIW-JOCHJYFZSA-N 2 2 407.562 4.369 20 0 HIADLP CC[NH+](CC)CC1CC[NH+](Cc2c(Br)cncc2Br)CC1 ZINC000568455767 946560323 /nfs/dbraw/zinc/56/03/23/946560323.db2.gz YGPJRBUQWNYSBE-UHFFFAOYSA-N 2 2 419.205 4.160 20 0 HIADLP CC(C)[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(Cl)cc1F ZINC000569880008 947030785 /nfs/dbraw/zinc/03/07/85/947030785.db2.gz PIHYLGARGIPCBK-IBGZPJMESA-N 2 2 424.973 4.457 20 0 HIADLP COCCSc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570348874 947210931 /nfs/dbraw/zinc/21/09/31/947210931.db2.gz DQNHQHCWRNMQMP-REWPJTCUSA-N 2 2 414.615 4.367 20 0 HIADLP COCCSc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000570348874 947210963 /nfs/dbraw/zinc/21/09/63/947210963.db2.gz DQNHQHCWRNMQMP-REWPJTCUSA-N 2 2 414.615 4.367 20 0 HIADLP C[C@H]1C[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000571930220 947814985 /nfs/dbraw/zinc/81/49/85/947814985.db2.gz NNFDBSKWSWPFNT-QFBILLFUSA-N 2 2 413.363 4.240 20 0 HIADLP C[C@H]1C[C@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CC[N@H+]1Cc1ccccc1 ZINC000571930220 947814991 /nfs/dbraw/zinc/81/49/91/947814991.db2.gz NNFDBSKWSWPFNT-QFBILLFUSA-N 2 2 413.363 4.240 20 0 HIADLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000573288140 948146462 /nfs/dbraw/zinc/14/64/62/948146462.db2.gz NJKCDNFBCDECSI-RBUKOAKNSA-N 2 2 406.636 4.000 20 0 HIADLP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000573288140 948146468 /nfs/dbraw/zinc/14/64/68/948146468.db2.gz NJKCDNFBCDECSI-RBUKOAKNSA-N 2 2 406.636 4.000 20 0 HIADLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000573288141 948146728 /nfs/dbraw/zinc/14/67/28/948146728.db2.gz NJKCDNFBCDECSI-RTBURBONSA-N 2 2 406.636 4.000 20 0 HIADLP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000573288141 948146737 /nfs/dbraw/zinc/14/67/37/948146737.db2.gz NJKCDNFBCDECSI-RTBURBONSA-N 2 2 406.636 4.000 20 0 HIADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000573306131 948153386 /nfs/dbraw/zinc/15/33/86/948153386.db2.gz VCEPDEMRDDUAPY-PKTZIBPZSA-N 2 2 403.526 4.245 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@H](C)c1ccccc1 ZINC000573604915 948247887 /nfs/dbraw/zinc/24/78/87/948247887.db2.gz PYBJHMASSWBLKN-ZWKOTPCHSA-N 2 2 400.592 4.095 20 0 HIADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558972 948472971 /nfs/dbraw/zinc/47/29/71/948472971.db2.gz QFNQLYMKCAKHCL-CRAIPNDOSA-N 2 2 406.393 4.489 20 0 HIADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558972 948472978 /nfs/dbraw/zinc/47/29/78/948472978.db2.gz QFNQLYMKCAKHCL-CRAIPNDOSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558972 948472992 /nfs/dbraw/zinc/47/29/92/948472992.db2.gz QFNQLYMKCAKHCL-CRAIPNDOSA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000574558972 948473000 /nfs/dbraw/zinc/47/30/00/948473000.db2.gz QFNQLYMKCAKHCL-CRAIPNDOSA-N 2 2 406.393 4.489 20 0 HIADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1Cl ZINC000574782626 948524927 /nfs/dbraw/zinc/52/49/27/948524927.db2.gz LBDBKCVGQJECNR-OAQYLSRUSA-N 2 2 415.965 4.177 20 0 HIADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1Cl ZINC000574782626 948524935 /nfs/dbraw/zinc/52/49/35/948524935.db2.gz LBDBKCVGQJECNR-OAQYLSRUSA-N 2 2 415.965 4.177 20 0 HIADLP C[NH+]1CCC(CNC(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)([NH+]2CCCCC2)CC1 ZINC000575140082 948601118 /nfs/dbraw/zinc/60/11/18/948601118.db2.gz DFCNVKYQUNSCLO-BKFWDETESA-N 2 2 424.633 4.057 20 0 HIADLP COc1ccc2[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc(C)c2c1 ZINC001164698408 719893083 /nfs/dbraw/zinc/89/30/83/719893083.db2.gz SJXOVKTVFPPZEW-UHFFFAOYSA-N 2 2 423.582 4.485 20 0 HIADLP COc1ccc2[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc(C)c2c1 ZINC001164698408 719893085 /nfs/dbraw/zinc/89/30/85/719893085.db2.gz SJXOVKTVFPPZEW-UHFFFAOYSA-N 2 2 423.582 4.485 20 0 HIADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2 ZINC001164712389 720156226 /nfs/dbraw/zinc/15/62/26/720156226.db2.gz GDELSNUSHPGCQN-JOCHJYFZSA-N 2 2 408.590 4.282 20 0 HIADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C(C)(C)C)c[nH+]1)CC2 ZINC001164712389 720156230 /nfs/dbraw/zinc/15/62/30/720156230.db2.gz GDELSNUSHPGCQN-JOCHJYFZSA-N 2 2 408.590 4.282 20 0 HIADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]c(C)cc(Cl)c1C)CC2 ZINC001164785709 721461459 /nfs/dbraw/zinc/46/14/59/721461459.db2.gz NACADXBGYQIXQY-FQEVSTJZSA-N 2 2 422.013 4.086 20 0 HIADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]c(C)cc(Cl)c1C)CC2 ZINC001164785709 721461460 /nfs/dbraw/zinc/46/14/60/721461460.db2.gz NACADXBGYQIXQY-FQEVSTJZSA-N 2 2 422.013 4.086 20 0 HIADLP CCCN(CCC)c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc[nH+]1 ZINC001164796387 721497912 /nfs/dbraw/zinc/49/79/12/721497912.db2.gz TUXDSBCFWHAVHE-UHFFFAOYSA-N 2 2 422.621 4.379 20 0 HIADLP CCCN(CCC)c1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc[nH+]1 ZINC001164796387 721497916 /nfs/dbraw/zinc/49/79/16/721497916.db2.gz TUXDSBCFWHAVHE-UHFFFAOYSA-N 2 2 422.621 4.379 20 0 HIADLP CCCN(CCC)c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]cn1 ZINC001164796387 721497919 /nfs/dbraw/zinc/49/79/19/721497919.db2.gz TUXDSBCFWHAVHE-UHFFFAOYSA-N 2 2 422.621 4.379 20 0 HIADLP CCCN(CCC)c1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]cn1 ZINC001164796387 721497923 /nfs/dbraw/zinc/49/79/23/721497923.db2.gz TUXDSBCFWHAVHE-UHFFFAOYSA-N 2 2 422.621 4.379 20 0 HIADLP COc1ccc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164904970 721716964 /nfs/dbraw/zinc/71/69/64/721716964.db2.gz GAFFYMGKCWUUHA-HSZRJFAPSA-N 2 2 424.495 4.376 20 0 HIADLP COc1ccc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164904970 721716970 /nfs/dbraw/zinc/71/69/70/721716970.db2.gz GAFFYMGKCWUUHA-HSZRJFAPSA-N 2 2 424.495 4.376 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000216469364 721861139 /nfs/dbraw/zinc/86/11/39/721861139.db2.gz HBNNSOCFYVVLAN-UHFFFAOYSA-N 2 2 421.614 4.485 20 0 HIADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC3)C2)cc1 ZINC001164941430 721933309 /nfs/dbraw/zinc/93/33/09/721933309.db2.gz HWKFZSYXRXBCAC-UHFFFAOYSA-N 2 2 416.569 4.231 20 0 HIADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]ccc5c6c([nH]c54)CCC6)CC3)C2)cc1 ZINC001164941430 721933311 /nfs/dbraw/zinc/93/33/11/721933311.db2.gz HWKFZSYXRXBCAC-UHFFFAOYSA-N 2 2 416.569 4.231 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436250683 861560382 /nfs/dbraw/zinc/56/03/82/861560382.db2.gz CZXHLUGYYJCJRQ-PXNSSMCTSA-N 2 2 412.883 4.331 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000436250683 861560388 /nfs/dbraw/zinc/56/03/88/861560388.db2.gz CZXHLUGYYJCJRQ-PXNSSMCTSA-N 2 2 412.883 4.331 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c(C)c1 ZINC000436289403 861596815 /nfs/dbraw/zinc/59/68/15/861596815.db2.gz IAEYQQJJBRPUIT-XMMPIXPASA-N 2 2 403.505 4.415 20 0 HIADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000023479874 846704834 /nfs/dbraw/zinc/70/48/34/846704834.db2.gz AGWMMNLJDBVWMM-HSZRJFAPSA-N 2 2 404.558 4.181 20 0 HIADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000023479874 846704841 /nfs/dbraw/zinc/70/48/41/846704841.db2.gz AGWMMNLJDBVWMM-HSZRJFAPSA-N 2 2 404.558 4.181 20 0 HIADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000041651955 848237822 /nfs/dbraw/zinc/23/78/22/848237822.db2.gz HPJBSGAKWICOQK-VXGBXAGGSA-N 2 2 402.174 4.347 20 0 HIADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1Br ZINC000041651955 848237830 /nfs/dbraw/zinc/23/78/30/848237830.db2.gz HPJBSGAKWICOQK-VXGBXAGGSA-N 2 2 402.174 4.347 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045780198 848726203 /nfs/dbraw/zinc/72/62/03/848726203.db2.gz SHAOSJFBIZQFBY-HXUWFJFHSA-N 2 2 402.542 4.236 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045780198 848726215 /nfs/dbraw/zinc/72/62/15/848726215.db2.gz SHAOSJFBIZQFBY-HXUWFJFHSA-N 2 2 402.542 4.236 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(Nc3nc(-c4ccccc4)nc4ccccc43)CC2)CC1 ZINC000050954620 849422160 /nfs/dbraw/zinc/42/21/60/849422160.db2.gz BNNPHXHGJWNWGT-UHFFFAOYSA-N 2 2 401.558 4.267 20 0 HIADLP O=C(C[N@H+](Cc1ccccc1)C1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000059350366 850999608 /nfs/dbraw/zinc/99/96/08/850999608.db2.gz HLUYNRCNKUXNLT-UHFFFAOYSA-N 2 2 421.585 4.292 20 0 HIADLP O=C(C[N@@H+](Cc1ccccc1)C1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000059350366 850999618 /nfs/dbraw/zinc/99/96/18/850999618.db2.gz HLUYNRCNKUXNLT-UHFFFAOYSA-N 2 2 421.585 4.292 20 0 HIADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000071961428 852447443 /nfs/dbraw/zinc/44/74/43/852447443.db2.gz CPAJHNHKZFCNRH-PMACEKPBSA-N 2 2 402.542 4.280 20 0 HIADLP c1cn(Cc2ccc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3cccnc3)cc2)c[nH+]1 ZINC000236583117 853899516 /nfs/dbraw/zinc/89/95/16/853899516.db2.gz WINGNJGSUIDWID-UHFFFAOYSA-N 2 2 420.520 4.469 20 0 HIADLP CC(C)c1nc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cs1 ZINC000236898668 853934032 /nfs/dbraw/zinc/93/40/32/853934032.db2.gz LROUIXNCHGWOHC-UHFFFAOYSA-N 2 2 412.525 4.327 20 0 HIADLP CCCOc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1OC ZINC000236947176 853941628 /nfs/dbraw/zinc/94/16/28/853941628.db2.gz VVDGICFPWLIBTB-UHFFFAOYSA-N 2 2 417.981 4.179 20 0 HIADLP COc1ccc(Br)cc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000237128976 853968921 /nfs/dbraw/zinc/96/89/21/853968921.db2.gz XXOACDVYWNYMSY-UHFFFAOYSA-N 2 2 418.379 4.282 20 0 HIADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)o1 ZINC000237467040 854038213 /nfs/dbraw/zinc/03/82/13/854038213.db2.gz LWDGTSSMWJGAFL-DNVCBOLYSA-N 2 2 407.480 4.463 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000301118478 854302057 /nfs/dbraw/zinc/30/20/57/854302057.db2.gz PMSKKQXWCWYLTN-RBUKOAKNSA-N 2 2 407.587 4.459 20 0 HIADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000301118478 854302059 /nfs/dbraw/zinc/30/20/59/854302059.db2.gz PMSKKQXWCWYLTN-RBUKOAKNSA-N 2 2 407.587 4.459 20 0 HIADLP Cc1cc(N2CCC(Nc3cc[nH+]c4ccc(Br)cc34)CC2)nc(C)[nH+]1 ZINC000301572377 854422444 /nfs/dbraw/zinc/42/24/44/854422444.db2.gz RPFOBZMDHNPUJV-UHFFFAOYSA-N 2 2 412.335 4.485 20 0 HIADLP O[C@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]c3c(Br)cccc23)C1 ZINC000302047854 854521674 /nfs/dbraw/zinc/52/16/74/854521674.db2.gz LUEBDVBCECRIGD-KRWDZBQOSA-N 2 2 412.331 4.176 20 0 HIADLP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]c3c(Br)cccc23)C1 ZINC000302047854 854521681 /nfs/dbraw/zinc/52/16/81/854521681.db2.gz LUEBDVBCECRIGD-KRWDZBQOSA-N 2 2 412.331 4.176 20 0 HIADLP FC(F)Oc1ccc(Br)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000303029252 854729792 /nfs/dbraw/zinc/72/97/92/854729792.db2.gz WWFHGDFQVSORGF-UHFFFAOYSA-N 2 2 403.311 4.358 20 0 HIADLP CC[NH+](CC)CC(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000303060369 854743249 /nfs/dbraw/zinc/74/32/49/854743249.db2.gz XIQYZXHTJBTEAN-HXUWFJFHSA-N 2 2 417.644 4.027 20 0 HIADLP CC[NH+](CC)CC(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000303060369 854743256 /nfs/dbraw/zinc/74/32/56/854743256.db2.gz XIQYZXHTJBTEAN-HXUWFJFHSA-N 2 2 417.644 4.027 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000303126260 854773785 /nfs/dbraw/zinc/77/37/85/854773785.db2.gz BBJYHCCCOYMHQC-CEYNDMKZSA-N 2 2 423.576 4.413 20 0 HIADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1 ZINC000303126260 854773789 /nfs/dbraw/zinc/77/37/89/854773789.db2.gz BBJYHCCCOYMHQC-CEYNDMKZSA-N 2 2 423.576 4.413 20 0 HIADLP Cc1c(O)ccc2c(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc12 ZINC000303758531 855178552 /nfs/dbraw/zinc/17/85/52/855178552.db2.gz NTLMNSLFRMFGBJ-UTKZUKDTSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1c(O)ccc2c(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc12 ZINC000303758531 855178557 /nfs/dbraw/zinc/17/85/57/855178557.db2.gz NTLMNSLFRMFGBJ-UTKZUKDTSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1c(O)ccc2c(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc12 ZINC000303758531 855178562 /nfs/dbraw/zinc/17/85/62/855178562.db2.gz NTLMNSLFRMFGBJ-UTKZUKDTSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1c(O)ccc2c(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)cc(=O)oc12 ZINC000303758531 855178567 /nfs/dbraw/zinc/17/85/67/855178567.db2.gz NTLMNSLFRMFGBJ-UTKZUKDTSA-N 2 2 406.526 4.292 20 0 HIADLP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1Br ZINC000390860914 855457560 /nfs/dbraw/zinc/45/75/60/855457560.db2.gz LGVYNVBHDYDXOD-HXUWFJFHSA-N 2 2 403.364 4.138 20 0 HIADLP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1Br ZINC000390860914 855457564 /nfs/dbraw/zinc/45/75/64/855457564.db2.gz LGVYNVBHDYDXOD-HXUWFJFHSA-N 2 2 403.364 4.138 20 0 HIADLP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000390890112 855458401 /nfs/dbraw/zinc/45/84/01/855458401.db2.gz XYFQLGDCUSZEAG-HXUWFJFHSA-N 2 2 403.364 4.138 20 0 HIADLP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000390890112 855458409 /nfs/dbraw/zinc/45/84/09/855458409.db2.gz XYFQLGDCUSZEAG-HXUWFJFHSA-N 2 2 403.364 4.138 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000398003122 855473907 /nfs/dbraw/zinc/47/39/07/855473907.db2.gz XQDUREVMXVSEHN-DNVCBOLYSA-N 2 2 406.357 4.432 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000398003122 855473908 /nfs/dbraw/zinc/47/39/08/855473908.db2.gz XQDUREVMXVSEHN-DNVCBOLYSA-N 2 2 406.357 4.432 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1)C(C)C ZINC000410281303 855899795 /nfs/dbraw/zinc/89/97/95/855899795.db2.gz HKAUSOKLDHUIIR-JOCHJYFZSA-N 2 2 408.590 4.470 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1)C(C)C ZINC000410281303 855899797 /nfs/dbraw/zinc/89/97/97/855899797.db2.gz HKAUSOKLDHUIIR-JOCHJYFZSA-N 2 2 408.590 4.470 20 0 HIADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)nc[nH+]1 ZINC000426045886 856070369 /nfs/dbraw/zinc/07/03/69/856070369.db2.gz OSTPKQVCHOYIGC-LEWJYISDSA-N 2 2 422.964 4.109 20 0 HIADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)nc[nH+]1 ZINC000426045887 856070911 /nfs/dbraw/zinc/07/09/11/856070911.db2.gz OSTPKQVCHOYIGC-NHCUHLMSSA-N 2 2 422.964 4.109 20 0 HIADLP Cc1ccc([C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000426304544 856233444 /nfs/dbraw/zinc/23/34/44/856233444.db2.gz CWACNSFDVCYYPR-TZRRMPRUSA-N 2 2 417.557 4.022 20 0 HIADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000426777840 856473351 /nfs/dbraw/zinc/47/33/51/856473351.db2.gz RBKJNUGDUYPNMS-KDURUIRLSA-N 2 2 422.013 4.107 20 0 HIADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000426777840 856473357 /nfs/dbraw/zinc/47/33/57/856473357.db2.gz RBKJNUGDUYPNMS-KDURUIRLSA-N 2 2 422.013 4.107 20 0 HIADLP Fc1ccc(Br)cc1[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000427875401 856990482 /nfs/dbraw/zinc/99/04/82/856990482.db2.gz SZKBVPLKGVEFMX-UZLBHIALSA-N 2 2 400.295 4.479 20 0 HIADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+]C(C)(C)c3ccc(F)c(F)c3)n2)CC1 ZINC000428343210 857163108 /nfs/dbraw/zinc/16/31/08/857163108.db2.gz FGQAQTSIYKASTD-UHFFFAOYSA-N 2 2 422.545 4.117 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000429228107 857564609 /nfs/dbraw/zinc/56/46/09/857564609.db2.gz QSTZGKANMVUTRI-UHFFFAOYSA-N 2 2 415.538 4.059 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000429228107 857564616 /nfs/dbraw/zinc/56/46/16/857564616.db2.gz QSTZGKANMVUTRI-UHFFFAOYSA-N 2 2 415.538 4.059 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)c(OC)c1Br ZINC000429241213 857570054 /nfs/dbraw/zinc/57/00/54/857570054.db2.gz VUYHFDSWCJKUDP-UHFFFAOYSA-N 2 2 410.356 4.137 20 0 HIADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)c(OC)c1Br ZINC000429241213 857570065 /nfs/dbraw/zinc/57/00/65/857570065.db2.gz VUYHFDSWCJKUDP-UHFFFAOYSA-N 2 2 410.356 4.137 20 0 HIADLP Clc1ccc(OCC2CC2)c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000430011578 857996059 /nfs/dbraw/zinc/99/60/59/857996059.db2.gz HBPOSDJIEJHULZ-UHFFFAOYSA-N 2 2 400.950 4.251 20 0 HIADLP CCCC[NH+]1CCC(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CC1 ZINC000430535668 858209989 /nfs/dbraw/zinc/20/99/89/858209989.db2.gz FSZQQLIJZORLIH-UHFFFAOYSA-N 2 2 417.985 4.013 20 0 HIADLP C[NH+](C)CC[C@@H](NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C(C)(C)C ZINC000430681609 858267626 /nfs/dbraw/zinc/26/76/26/858267626.db2.gz VWEJHJYWNZSIIJ-HXUWFJFHSA-N 2 2 420.001 4.115 20 0 HIADLP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc2)cc1 ZINC000430813845 858313745 /nfs/dbraw/zinc/31/37/45/858313745.db2.gz GERQKEMARUECAT-DNQXCXABSA-N 2 2 405.542 4.065 20 0 HIADLP COC(=O)c1ccc(COc2ccccc2C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000437693512 863030938 /nfs/dbraw/zinc/03/09/38/863030938.db2.gz ODIGKDWRZFPYAW-UHFFFAOYSA-N 2 2 405.498 4.086 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431728938 858768026 /nfs/dbraw/zinc/76/80/26/858768026.db2.gz ZFBBEHIQWXCVSH-OAQYLSRUSA-N 2 2 416.569 4.165 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431728938 858768030 /nfs/dbraw/zinc/76/80/30/858768030.db2.gz ZFBBEHIQWXCVSH-OAQYLSRUSA-N 2 2 416.569 4.165 20 0 HIADLP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000431910839 858866851 /nfs/dbraw/zinc/86/68/51/858866851.db2.gz WTAQUMOAWLIMRH-LEWJYISDSA-N 2 2 414.619 4.014 20 0 HIADLP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000431910839 858866854 /nfs/dbraw/zinc/86/68/54/858866854.db2.gz WTAQUMOAWLIMRH-LEWJYISDSA-N 2 2 414.619 4.014 20 0 HIADLP CCS[C@H](C)c1noc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433127580 859532352 /nfs/dbraw/zinc/53/23/52/859532352.db2.gz SUXCNWYLTBYROG-GOSISDBHSA-N 2 2 400.592 4.372 20 0 HIADLP CCS[C@H](C)c1noc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433127580 859532353 /nfs/dbraw/zinc/53/23/53/859532353.db2.gz SUXCNWYLTBYROG-GOSISDBHSA-N 2 2 400.592 4.372 20 0 HIADLP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1cc(Cl)ccc1F ZINC000433176231 859555763 /nfs/dbraw/zinc/55/57/63/859555763.db2.gz QCYSHUPSDAQXDL-UHFFFAOYSA-N 2 2 415.940 4.406 20 0 HIADLP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1cc(Cl)ccc1F ZINC000433176231 859555769 /nfs/dbraw/zinc/55/57/69/859555769.db2.gz QCYSHUPSDAQXDL-UHFFFAOYSA-N 2 2 415.940 4.406 20 0 HIADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000433371907 859661350 /nfs/dbraw/zinc/66/13/50/859661350.db2.gz CIYQFWYAOVJMSG-WIYYLYMNSA-N 2 2 413.537 4.488 20 0 HIADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000433994669 860024920 /nfs/dbraw/zinc/02/49/20/860024920.db2.gz PVVLTLPURNCJCO-UHFFFAOYSA-N 2 2 423.605 4.150 20 0 HIADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)NCC1(c2ccccc2)CCCC1 ZINC000434688195 860462110 /nfs/dbraw/zinc/46/21/10/860462110.db2.gz JKNLAUDXBXLQKE-UHFFFAOYSA-N 2 2 420.601 4.027 20 0 HIADLP Clc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc2c1OCCCO2 ZINC000434692516 860464793 /nfs/dbraw/zinc/46/47/93/860464793.db2.gz YHSNJFBHZABYMO-UHFFFAOYSA-N 2 2 401.938 4.414 20 0 HIADLP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434975208 860583236 /nfs/dbraw/zinc/58/32/36/860583236.db2.gz AITDULGNPGGMBL-SFHVURJKSA-N 2 2 404.514 4.195 20 0 HIADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000467843437 881685798 /nfs/dbraw/zinc/68/57/98/881685798.db2.gz ITSGQQYSUXWBOJ-QGZVFWFLSA-N 2 2 408.464 4.267 20 0 HIADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000438344670 863815351 /nfs/dbraw/zinc/81/53/51/863815351.db2.gz JILXTZZZDCLCSH-QTJGBDASSA-N 2 2 421.589 4.208 20 0 HIADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000438344670 863815355 /nfs/dbraw/zinc/81/53/55/863815355.db2.gz JILXTZZZDCLCSH-QTJGBDASSA-N 2 2 421.589 4.208 20 0 HIADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439028671 864483527 /nfs/dbraw/zinc/48/35/27/864483527.db2.gz OLSWULOJAKRSFH-UHFFFAOYSA-N 2 2 417.557 4.482 20 0 HIADLP O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000439074162 864525216 /nfs/dbraw/zinc/52/52/16/864525216.db2.gz YRNLTXJPWVSDPJ-IBGZPJMESA-N 2 2 407.562 4.226 20 0 HIADLP CC(C)C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000468030956 881863522 /nfs/dbraw/zinc/86/35/22/881863522.db2.gz STIXLJHDVQGEIM-NZQKXSOJSA-N 2 2 423.605 4.247 20 0 HIADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCCC[C@H]3/C=C\c3ccccc3)CC2)CC1 ZINC000441239693 866313734 /nfs/dbraw/zinc/31/37/34/866313734.db2.gz ARSKNADWGABPDM-MQCQLYSJSA-N 2 2 424.633 4.213 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NCc2ccc(Cl)cc2)c(C)c1 ZINC000441382041 866453938 /nfs/dbraw/zinc/45/39/38/866453938.db2.gz JQJVKFWMFZCUGX-XMSQKQJNSA-N 2 2 410.949 4.189 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398856 866474181 /nfs/dbraw/zinc/47/41/81/866474181.db2.gz CYBHKFLHUHLNAR-SHNDDRJUSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398856 866474183 /nfs/dbraw/zinc/47/41/83/866474183.db2.gz CYBHKFLHUHLNAR-SHNDDRJUSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398856 866474186 /nfs/dbraw/zinc/47/41/86/866474186.db2.gz CYBHKFLHUHLNAR-SHNDDRJUSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc2ccccc21 ZINC000441398856 866474188 /nfs/dbraw/zinc/47/41/88/866474188.db2.gz CYBHKFLHUHLNAR-SHNDDRJUSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406728 866482130 /nfs/dbraw/zinc/48/21/30/866482130.db2.gz NBFLPFNQVXPBJW-XYOFRCHLSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406728 866482131 /nfs/dbraw/zinc/48/21/31/866482131.db2.gz NBFLPFNQVXPBJW-XYOFRCHLSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406728 866482132 /nfs/dbraw/zinc/48/21/32/866482132.db2.gz NBFLPFNQVXPBJW-XYOFRCHLSA-N 2 2 405.586 4.354 20 0 HIADLP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000441406728 866482133 /nfs/dbraw/zinc/48/21/33/866482133.db2.gz NBFLPFNQVXPBJW-XYOFRCHLSA-N 2 2 405.586 4.354 20 0 HIADLP C[NH+](C)CC1CCC(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000441519533 866595686 /nfs/dbraw/zinc/59/56/86/866595686.db2.gz DDPBKCSWUMCVNK-UHYCVJNDSA-N 2 2 424.992 4.036 20 0 HIADLP CN(C(=O)Nc1nc(C2CCC2)cs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000442039353 867079638 /nfs/dbraw/zinc/07/96/38/867079638.db2.gz AWXUOOMFWWURBC-WOJBJXKFSA-N 2 2 419.639 4.212 20 0 HIADLP CN(C(=O)Nc1nc(C2CCC2)cs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000442039353 867079653 /nfs/dbraw/zinc/07/96/53/867079653.db2.gz AWXUOOMFWWURBC-WOJBJXKFSA-N 2 2 419.639 4.212 20 0 HIADLP Cc1ccc(OCc2ccccc2)c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000442477246 867461381 /nfs/dbraw/zinc/46/13/81/867461381.db2.gz OMPOUOWEJGIXDB-UHFFFAOYSA-N 2 2 424.589 4.064 20 0 HIADLP Cc1ccc(OCc2ccccc2)c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000442477246 867461394 /nfs/dbraw/zinc/46/13/94/867461394.db2.gz OMPOUOWEJGIXDB-UHFFFAOYSA-N 2 2 424.589 4.064 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000442725763 867651141 /nfs/dbraw/zinc/65/11/41/867651141.db2.gz VKDYOEOBSBKWMX-UHFFFAOYSA-N 2 2 423.388 4.087 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000442725763 867651153 /nfs/dbraw/zinc/65/11/53/867651153.db2.gz VKDYOEOBSBKWMX-UHFFFAOYSA-N 2 2 423.388 4.087 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444793310 869011679 /nfs/dbraw/zinc/01/16/79/869011679.db2.gz OWRKBPHSVLDTJZ-TZIWHRDSSA-N 2 2 418.541 4.206 20 0 HIADLP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000444793310 869011689 /nfs/dbraw/zinc/01/16/89/869011689.db2.gz OWRKBPHSVLDTJZ-TZIWHRDSSA-N 2 2 418.541 4.206 20 0 HIADLP C[C@@H](CC1CCOCC1)[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000468363846 882305127 /nfs/dbraw/zinc/30/51/27/882305127.db2.gz WUKDGRJQYFRIQJ-SFHVURJKSA-N 2 2 413.528 4.012 20 0 HIADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447721155 871663801 /nfs/dbraw/zinc/66/38/01/871663801.db2.gz FFZUWDUXJVVUAY-YADHBBJMSA-N 2 2 411.521 4.204 20 0 HIADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)cccc21 ZINC000447721155 871663807 /nfs/dbraw/zinc/66/38/07/871663807.db2.gz FFZUWDUXJVVUAY-YADHBBJMSA-N 2 2 411.521 4.204 20 0 HIADLP Cc1nn(C)c(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1Br ZINC000447928928 871815862 /nfs/dbraw/zinc/81/58/62/871815862.db2.gz GIHXARDTBLJLGA-UHFFFAOYSA-N 2 2 405.384 4.157 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000460350114 872969708 /nfs/dbraw/zinc/96/97/08/872969708.db2.gz URNJLDWZVNOTQL-HZPDHXFCSA-N 2 2 403.929 4.164 20 0 HIADLP COc1ccc(Cl)cc1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460362695 872993752 /nfs/dbraw/zinc/99/37/52/872993752.db2.gz ZDCAMMSHNSPRKT-IRXDYDNUSA-N 2 2 415.965 4.033 20 0 HIADLP C[NH+]1CCC(CNC(=O)C2(c3cccc(F)c3)CCCCC2)([NH+]2CCCCC2)CC1 ZINC000460485809 873172784 /nfs/dbraw/zinc/17/27/84/873172784.db2.gz ADKAEQMHFRAQOR-UHFFFAOYSA-N 2 2 415.597 4.094 20 0 HIADLP Cc1ccccc1C1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCCCC1 ZINC000460496859 873182118 /nfs/dbraw/zinc/18/21/18/873182118.db2.gz MSAOXNCWPYZWJF-UHFFFAOYSA-N 2 2 411.634 4.263 20 0 HIADLP C[NH+]1CCC(CNC(=O)c2ccccc2Nc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000461295663 874301137 /nfs/dbraw/zinc/30/11/37/874301137.db2.gz BRCMVXSTVHBCNZ-UHFFFAOYSA-N 2 2 406.574 4.110 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)C2 ZINC000461473265 874529407 /nfs/dbraw/zinc/52/94/07/874529407.db2.gz RJWLYRUVHDGXNF-SFTDATJTSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000461473265 874529416 /nfs/dbraw/zinc/52/94/16/874529416.db2.gz RJWLYRUVHDGXNF-SFTDATJTSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000461473265 874529424 /nfs/dbraw/zinc/52/94/24/874529424.db2.gz RJWLYRUVHDGXNF-SFTDATJTSA-N 2 2 408.590 4.057 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000461473265 874529433 /nfs/dbraw/zinc/52/94/33/874529433.db2.gz RJWLYRUVHDGXNF-SFTDATJTSA-N 2 2 408.590 4.057 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@H](C)O1 ZINC000461875334 875028822 /nfs/dbraw/zinc/02/88/22/875028822.db2.gz GJYSWMWCXNGYKR-OALUTQOASA-N 2 2 416.525 4.109 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@H](C)O1 ZINC000461875333 875028971 /nfs/dbraw/zinc/02/89/71/875028971.db2.gz GJYSWMWCXNGYKR-KDURUIRLSA-N 2 2 416.525 4.109 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@H](C)O1 ZINC000461875333 875028982 /nfs/dbraw/zinc/02/89/82/875028982.db2.gz GJYSWMWCXNGYKR-KDURUIRLSA-N 2 2 416.525 4.109 20 0 HIADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462512610 875631627 /nfs/dbraw/zinc/63/16/27/875631627.db2.gz TTYXNYYVSUSQDB-IBGZPJMESA-N 2 2 414.619 4.177 20 0 HIADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462512610 875631645 /nfs/dbraw/zinc/63/16/45/875631645.db2.gz TTYXNYYVSUSQDB-IBGZPJMESA-N 2 2 414.619 4.177 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1csc(-c2ccccc2F)n1 ZINC000462800881 875848500 /nfs/dbraw/zinc/84/85/00/875848500.db2.gz GMMWRWGVIJETLN-LPHOPBHVSA-N 2 2 411.546 4.367 20 0 HIADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1csc(-c2ccccc2F)n1 ZINC000462800881 875848506 /nfs/dbraw/zinc/84/85/06/875848506.db2.gz GMMWRWGVIJETLN-LPHOPBHVSA-N 2 2 411.546 4.367 20 0 HIADLP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1csc(-c2ccccc2F)n1 ZINC000462813929 875856221 /nfs/dbraw/zinc/85/62/21/875856221.db2.gz BPIZVWGRUUQQFU-HNNXBMFYSA-N 2 2 400.523 4.135 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000462900583 875926142 /nfs/dbraw/zinc/92/61/42/875926142.db2.gz CBNBVTOSPVMKAV-PMACEKPBSA-N 2 2 412.496 4.349 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000462900588 875926806 /nfs/dbraw/zinc/92/68/06/875926806.db2.gz CBNBVTOSPVMKAV-WOJBJXKFSA-N 2 2 412.496 4.349 20 0 HIADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000463129594 876176007 /nfs/dbraw/zinc/17/60/07/876176007.db2.gz KMBSYIWMKCFZAX-OAQYLSRUSA-N 2 2 411.556 4.466 20 0 HIADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000463129594 876176015 /nfs/dbraw/zinc/17/60/15/876176015.db2.gz KMBSYIWMKCFZAX-OAQYLSRUSA-N 2 2 411.556 4.466 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N1CCCC1 ZINC000463136380 876185584 /nfs/dbraw/zinc/18/55/84/876185584.db2.gz DJMDGDSBGUFQEW-PWWKTKHKSA-N 2 2 407.602 4.475 20 0 HIADLP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N1CCCC1 ZINC000463136380 876185587 /nfs/dbraw/zinc/18/55/87/876185587.db2.gz DJMDGDSBGUFQEW-PWWKTKHKSA-N 2 2 407.602 4.475 20 0 HIADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000463158132 876211435 /nfs/dbraw/zinc/21/14/35/876211435.db2.gz CJIZBDAKHXLHTM-MJGOQNOKSA-N 2 2 418.632 4.035 20 0 HIADLP Cc1noc(C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c2ccccc2)n1 ZINC000463241810 876298468 /nfs/dbraw/zinc/29/84/68/876298468.db2.gz FFXSXQCXRHADTN-HSZRJFAPSA-N 2 2 408.521 4.098 20 0 HIADLP Cn1c(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)nc2cccc(Cl)c21 ZINC000463276737 876334706 /nfs/dbraw/zinc/33/47/06/876334706.db2.gz CDYNFMQTYIBEKA-UHFFFAOYSA-N 2 2 400.929 4.163 20 0 HIADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463701677 876820442 /nfs/dbraw/zinc/82/04/42/876820442.db2.gz YLIVMJPZLYAKHA-UHFFFAOYSA-N 2 2 421.545 4.465 20 0 HIADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000463701677 876820445 /nfs/dbraw/zinc/82/04/45/876820445.db2.gz YLIVMJPZLYAKHA-UHFFFAOYSA-N 2 2 421.545 4.465 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000463710411 876830787 /nfs/dbraw/zinc/83/07/87/876830787.db2.gz ZALIXHXAAUISMJ-XXBNENTESA-N 2 2 419.573 4.367 20 0 HIADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000463710411 876830796 /nfs/dbraw/zinc/83/07/96/876830796.db2.gz ZALIXHXAAUISMJ-XXBNENTESA-N 2 2 419.573 4.367 20 0 HIADLP CC[N@@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806335 878052283 /nfs/dbraw/zinc/05/22/83/878052283.db2.gz PCEHDHBCFCMZFJ-XMMPIXPASA-N 2 2 420.601 4.156 20 0 HIADLP CC[N@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464806335 878052304 /nfs/dbraw/zinc/05/23/04/878052304.db2.gz PCEHDHBCFCMZFJ-XMMPIXPASA-N 2 2 420.601 4.156 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464828459 878082725 /nfs/dbraw/zinc/08/27/25/878082725.db2.gz BVOPLUMAKAWUCN-VWLOTQADSA-N 2 2 407.602 4.188 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464828459 878082745 /nfs/dbraw/zinc/08/27/45/878082745.db2.gz BVOPLUMAKAWUCN-VWLOTQADSA-N 2 2 407.602 4.188 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464828459 878082766 /nfs/dbraw/zinc/08/27/66/878082766.db2.gz BVOPLUMAKAWUCN-VWLOTQADSA-N 2 2 407.602 4.188 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464828459 878082789 /nfs/dbraw/zinc/08/27/89/878082789.db2.gz BVOPLUMAKAWUCN-VWLOTQADSA-N 2 2 407.602 4.188 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503370667 912349122 /nfs/dbraw/zinc/34/91/22/912349122.db2.gz AIODXGQJNDKKHG-NZQKXSOJSA-N 2 2 420.601 4.226 20 0 HIADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503370667 912349143 /nfs/dbraw/zinc/34/91/43/912349143.db2.gz AIODXGQJNDKKHG-NZQKXSOJSA-N 2 2 420.601 4.226 20 0 HIADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccc(Cl)cc1F ZINC000503370933 912350225 /nfs/dbraw/zinc/35/02/25/912350225.db2.gz SGTYWUWBZAOEMD-OAHLLOKOSA-N 2 2 404.917 4.220 20 0 HIADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccc(Cl)cc1F ZINC000503370933 912350246 /nfs/dbraw/zinc/35/02/46/912350246.db2.gz SGTYWUWBZAOEMD-OAHLLOKOSA-N 2 2 404.917 4.220 20 0 HIADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc2c(c1)CCCC2 ZINC000503375145 912358575 /nfs/dbraw/zinc/35/85/75/912358575.db2.gz LDSUEWARFNHZLI-XXBNENTESA-N 2 2 420.601 4.155 20 0 HIADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc2c(c1)CCCC2 ZINC000503375145 912358595 /nfs/dbraw/zinc/35/85/95/912358595.db2.gz LDSUEWARFNHZLI-XXBNENTESA-N 2 2 420.601 4.155 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381635 912365636 /nfs/dbraw/zinc/36/56/36/912365636.db2.gz DFCBBJBJPZRFRJ-JOCHJYFZSA-N 2 2 408.590 4.146 20 0 HIADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503381635 912365658 /nfs/dbraw/zinc/36/56/58/912365658.db2.gz DFCBBJBJPZRFRJ-JOCHJYFZSA-N 2 2 408.590 4.146 20 0 HIADLP Fc1ccc(-n2nc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c3c2CCC3)cc1 ZINC000503406053 912384776 /nfs/dbraw/zinc/38/47/76/912384776.db2.gz ALTKDYOWJNGZRC-SFHVURJKSA-N 2 2 419.548 4.413 20 0 HIADLP Fc1ccc(-n2nc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c3c2CCC3)cc1 ZINC000503406053 912384796 /nfs/dbraw/zinc/38/47/96/912384796.db2.gz ALTKDYOWJNGZRC-SFHVURJKSA-N 2 2 419.548 4.413 20 0 HIADLP O=C(c1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1)N1CCCCC1 ZINC000503411209 912393051 /nfs/dbraw/zinc/39/30/51/912393051.db2.gz ZZFJAERPCDLGMF-JOCHJYFZSA-N 2 2 406.574 4.225 20 0 HIADLP O=C(c1cccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1)N1CCCCC1 ZINC000503411209 912393072 /nfs/dbraw/zinc/39/30/72/912393072.db2.gz ZZFJAERPCDLGMF-JOCHJYFZSA-N 2 2 406.574 4.225 20 0 HIADLP CC(C)C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccs1 ZINC000465710669 879278283 /nfs/dbraw/zinc/27/82/83/879278283.db2.gz ACJZTDYYSSYOTC-IBGZPJMESA-N 2 2 406.640 4.085 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)co2)cc1 ZINC000503434226 912438844 /nfs/dbraw/zinc/43/88/44/912438844.db2.gz RFXIMZSLDUBNQQ-LJQANCHMSA-N 2 2 420.513 4.041 20 0 HIADLP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)co2)cc1 ZINC000503434226 912438895 /nfs/dbraw/zinc/43/88/95/912438895.db2.gz RFXIMZSLDUBNQQ-LJQANCHMSA-N 2 2 420.513 4.041 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437812 912449844 /nfs/dbraw/zinc/44/98/44/912449844.db2.gz YGQKSSYHEZWABN-QWFCFKBJSA-N 2 2 412.603 4.213 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437812 912449855 /nfs/dbraw/zinc/44/98/55/912449855.db2.gz YGQKSSYHEZWABN-QWFCFKBJSA-N 2 2 412.603 4.213 20 0 HIADLP CC(C)C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000465973070 879641405 /nfs/dbraw/zinc/64/14/05/879641405.db2.gz NZZSAODBSMBUPZ-OAQYLSRUSA-N 2 2 409.018 4.095 20 0 HIADLP CC(C)C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000465973070 879641410 /nfs/dbraw/zinc/64/14/10/879641410.db2.gz NZZSAODBSMBUPZ-OAQYLSRUSA-N 2 2 409.018 4.095 20 0 HIADLP CC(C)CCOc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000466159188 879862784 /nfs/dbraw/zinc/86/27/84/879862784.db2.gz UMDILHNVSWHPHM-UHFFFAOYSA-N 2 2 416.610 4.183 20 0 HIADLP C[NH+](C)CCc1ccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000466573731 880348442 /nfs/dbraw/zinc/34/84/42/880348442.db2.gz DYKGDWHNBRQCLH-UHFFFAOYSA-N 2 2 415.541 4.028 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)NCCNc1cccc(C)[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000469570828 883819335 /nfs/dbraw/zinc/81/93/35/883819335.db2.gz NBYCCBASGCKWTC-IBGZPJMESA-N 2 2 408.468 4.020 20 0 HIADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000469771038 883945316 /nfs/dbraw/zinc/94/53/16/883945316.db2.gz XPHIISBKNZPEOP-IRXDYDNUSA-N 2 2 424.570 4.088 20 0 HIADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(-c3c(F)cccc3F)cs2)[C@@H](C)C1 ZINC000469790063 883964860 /nfs/dbraw/zinc/96/48/60/883964860.db2.gz HPWHYTFDYGONML-MAUKXSAKSA-N 2 2 409.546 4.315 20 0 HIADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc(-c3c(F)cccc3F)cs2)[C@@H](C)C1 ZINC000469790063 883964875 /nfs/dbraw/zinc/96/48/75/883964875.db2.gz HPWHYTFDYGONML-MAUKXSAKSA-N 2 2 409.546 4.315 20 0 HIADLP CN(C)c1ncc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000504164596 913054373 /nfs/dbraw/zinc/05/43/73/913054373.db2.gz YDTUCANWWSHAIU-UHFFFAOYSA-N 2 2 403.555 4.411 20 0 HIADLP COc1ccccc1[C@H](C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)OC(C)C ZINC000472076072 886878326 /nfs/dbraw/zinc/87/83/26/886878326.db2.gz TUBFIUXRWXAFEQ-FQEVSTJZSA-N 2 2 403.592 4.174 20 0 HIADLP COc1ccccc1[C@H](C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)OC(C)C ZINC000472076072 886878329 /nfs/dbraw/zinc/87/83/29/886878329.db2.gz TUBFIUXRWXAFEQ-FQEVSTJZSA-N 2 2 403.592 4.174 20 0 HIADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465942 887326176 /nfs/dbraw/zinc/32/61/76/887326176.db2.gz UHNWEXOGTBEMIG-ZJSXRUAMSA-N 2 2 411.634 4.311 20 0 HIADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465942 887326196 /nfs/dbraw/zinc/32/61/96/887326196.db2.gz UHNWEXOGTBEMIG-ZJSXRUAMSA-N 2 2 411.634 4.311 20 0 HIADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465942 887326212 /nfs/dbraw/zinc/32/62/12/887326212.db2.gz UHNWEXOGTBEMIG-ZJSXRUAMSA-N 2 2 411.634 4.311 20 0 HIADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000472465942 887326231 /nfs/dbraw/zinc/32/62/31/887326231.db2.gz UHNWEXOGTBEMIG-ZJSXRUAMSA-N 2 2 411.634 4.311 20 0 HIADLP Cc1c(COc2ccccc2)cccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000472841212 887695030 /nfs/dbraw/zinc/69/50/30/887695030.db2.gz YZFFKBKGCUGFIK-UHFFFAOYSA-N 2 2 424.589 4.064 20 0 HIADLP Cc1c(COc2ccccc2)cccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000472841212 887695036 /nfs/dbraw/zinc/69/50/36/887695036.db2.gz YZFFKBKGCUGFIK-UHFFFAOYSA-N 2 2 424.589 4.064 20 0 HIADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)n2)C1 ZINC000473449541 888172784 /nfs/dbraw/zinc/17/27/84/888172784.db2.gz PHDCLLVMUITNQK-KRWDZBQOSA-N 2 2 419.639 4.294 20 0 HIADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)n2)C1 ZINC000473449541 888172796 /nfs/dbraw/zinc/17/27/96/888172796.db2.gz PHDCLLVMUITNQK-KRWDZBQOSA-N 2 2 419.639 4.294 20 0 HIADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000473684100 888454809 /nfs/dbraw/zinc/45/48/09/888454809.db2.gz VVCWXFMMUDZSEK-IBGZPJMESA-N 2 2 410.389 4.485 20 0 HIADLP O=C1[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN1c1ccc(Cl)cc1Cl ZINC000473988967 888850158 /nfs/dbraw/zinc/85/01/58/888850158.db2.gz JRPIONUYBLHXDS-GOSISDBHSA-N 2 2 401.297 4.074 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474109867 888931991 /nfs/dbraw/zinc/93/19/91/888931991.db2.gz JBBVYYZISAQJJW-LKUPVBHCSA-N 2 2 419.400 4.467 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000474109867 888932017 /nfs/dbraw/zinc/93/20/17/888932017.db2.gz JBBVYYZISAQJJW-LKUPVBHCSA-N 2 2 419.400 4.467 20 0 HIADLP COc1ccc2nc(C[NH2+]Cc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)sc2c1 ZINC000474368049 889246189 /nfs/dbraw/zinc/24/61/89/889246189.db2.gz IZXDOVQQMOURTJ-IAGOWNOFSA-N 2 2 411.571 4.204 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000475111582 889961163 /nfs/dbraw/zinc/96/11/63/889961163.db2.gz OVAZVJMMERSSNX-CEWLAPEOSA-N 2 2 408.590 4.322 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000475111582 889961177 /nfs/dbraw/zinc/96/11/77/889961177.db2.gz OVAZVJMMERSSNX-CEWLAPEOSA-N 2 2 408.590 4.322 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000475111582 889961189 /nfs/dbraw/zinc/96/11/89/889961189.db2.gz OVAZVJMMERSSNX-CEWLAPEOSA-N 2 2 408.590 4.322 20 0 HIADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000475111582 889961196 /nfs/dbraw/zinc/96/11/96/889961196.db2.gz OVAZVJMMERSSNX-CEWLAPEOSA-N 2 2 408.590 4.322 20 0 HIADLP COCC[C@H](Cc1cccc(F)c1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475330844 890250857 /nfs/dbraw/zinc/25/08/57/890250857.db2.gz FULHIEWTDOXWOG-XEVCZEQESA-N 2 2 402.476 4.168 20 0 HIADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000475561634 890489806 /nfs/dbraw/zinc/48/98/06/890489806.db2.gz LVSYWTHQBUGCCS-ATZDWAIDSA-N 2 2 400.485 4.251 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475725258 890663796 /nfs/dbraw/zinc/66/37/96/890663796.db2.gz BPPVEQDDHFPGIY-NLFFAJNJSA-N 2 2 423.626 4.009 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475725258 890663801 /nfs/dbraw/zinc/66/38/01/890663801.db2.gz BPPVEQDDHFPGIY-NLFFAJNJSA-N 2 2 423.626 4.009 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475725258 890663804 /nfs/dbraw/zinc/66/38/04/890663804.db2.gz BPPVEQDDHFPGIY-NLFFAJNJSA-N 2 2 423.626 4.009 20 0 HIADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475725258 890663811 /nfs/dbraw/zinc/66/38/11/890663811.db2.gz BPPVEQDDHFPGIY-NLFFAJNJSA-N 2 2 423.626 4.009 20 0 HIADLP CC[NH+](CC)CCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000475958487 890879903 /nfs/dbraw/zinc/87/99/03/890879903.db2.gz TYNBGMDPELXNGW-UHFFFAOYSA-N 2 2 408.015 4.341 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000476085238 891008684 /nfs/dbraw/zinc/00/86/84/891008684.db2.gz KITLNGKFKHJRIN-NRSPTQNISA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000476085238 891008705 /nfs/dbraw/zinc/00/87/05/891008705.db2.gz KITLNGKFKHJRIN-NRSPTQNISA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000476085238 891008719 /nfs/dbraw/zinc/00/87/19/891008719.db2.gz KITLNGKFKHJRIN-NRSPTQNISA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000476085238 891008734 /nfs/dbraw/zinc/00/87/34/891008734.db2.gz KITLNGKFKHJRIN-NRSPTQNISA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000476085242 891009074 /nfs/dbraw/zinc/00/90/74/891009074.db2.gz KITLNGKFKHJRIN-TYPHKJRUSA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000476085242 891009091 /nfs/dbraw/zinc/00/90/91/891009091.db2.gz KITLNGKFKHJRIN-TYPHKJRUSA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000476085242 891009108 /nfs/dbraw/zinc/00/91/08/891009108.db2.gz KITLNGKFKHJRIN-TYPHKJRUSA-N 2 2 408.590 4.150 20 0 HIADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000476085242 891009125 /nfs/dbraw/zinc/00/91/25/891009125.db2.gz KITLNGKFKHJRIN-TYPHKJRUSA-N 2 2 408.590 4.150 20 0 HIADLP CCC[N@H+](Cc1csc([C@@H](C)OC)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000476835218 891814362 /nfs/dbraw/zinc/81/43/62/891814362.db2.gz YOGJPQPRBMMJAP-MRXNPFEDSA-N 2 2 403.596 4.138 20 0 HIADLP CCC[N@@H+](Cc1csc([C@@H](C)OC)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000476835218 891814366 /nfs/dbraw/zinc/81/43/66/891814366.db2.gz YOGJPQPRBMMJAP-MRXNPFEDSA-N 2 2 403.596 4.138 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)cc2)C[C@@H](C)O1 ZINC000478032744 893162465 /nfs/dbraw/zinc/16/24/65/893162465.db2.gz XWFUBBMJEIPBSN-IAGOWNOFSA-N 2 2 415.965 4.263 20 0 HIADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000479304920 894591311 /nfs/dbraw/zinc/59/13/11/894591311.db2.gz TXRWNRKFWBGPBB-FQEVSTJZSA-N 2 2 402.542 4.236 20 0 HIADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000479304920 894591331 /nfs/dbraw/zinc/59/13/31/894591331.db2.gz TXRWNRKFWBGPBB-FQEVSTJZSA-N 2 2 402.542 4.236 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000479304921 894591890 /nfs/dbraw/zinc/59/18/90/894591890.db2.gz TXRWNRKFWBGPBB-HXUWFJFHSA-N 2 2 402.542 4.236 20 0 HIADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000479304921 894591898 /nfs/dbraw/zinc/59/18/98/894591898.db2.gz TXRWNRKFWBGPBB-HXUWFJFHSA-N 2 2 402.542 4.236 20 0 HIADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000479329935 894621174 /nfs/dbraw/zinc/62/11/74/894621174.db2.gz HUNYJVGMZIPERG-MEDUHNTESA-N 2 2 413.157 4.464 20 0 HIADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2c(Br)cc(Br)cc21 ZINC000479329933 894621869 /nfs/dbraw/zinc/62/18/69/894621869.db2.gz HUNYJVGMZIPERG-BDJLRTHQSA-N 2 2 413.157 4.464 20 0 HIADLP CN(C(=O)NCc1ccc(C2CC2)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000479592784 894875360 /nfs/dbraw/zinc/87/53/60/894875360.db2.gz NYPGQACSRNFYPJ-ZEQRLZLVSA-N 2 2 412.622 4.043 20 0 HIADLP CN(C(=O)NCc1ccc(C2CC2)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000479592784 894875361 /nfs/dbraw/zinc/87/53/61/894875361.db2.gz NYPGQACSRNFYPJ-ZEQRLZLVSA-N 2 2 412.622 4.043 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000479848537 895179732 /nfs/dbraw/zinc/17/97/32/895179732.db2.gz FSPCAPAQRGOMPP-FKBYEOEOSA-N 2 2 407.668 4.248 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)[C@@H](C)C1 ZINC000479848537 895179738 /nfs/dbraw/zinc/17/97/38/895179738.db2.gz FSPCAPAQRGOMPP-FKBYEOEOSA-N 2 2 407.668 4.248 20 0 HIADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000480167921 895558366 /nfs/dbraw/zinc/55/83/66/895558366.db2.gz JFPALLRSZNSENF-CQSZACIVSA-N 2 2 412.887 4.356 20 0 HIADLP C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000480217802 895620379 /nfs/dbraw/zinc/62/03/79/895620379.db2.gz BBXDNHBPOPMCAO-HTAPYJJXSA-N 2 2 412.965 4.454 20 0 HIADLP C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000480265203 895674021 /nfs/dbraw/zinc/67/40/21/895674021.db2.gz MAXXNRMHEPMIBK-FDDCHVKYSA-N 2 2 410.949 4.250 20 0 HIADLP CC(C)(C)n1cc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)nn1 ZINC000480352060 895758003 /nfs/dbraw/zinc/75/80/03/895758003.db2.gz CRJWLVXMHVATBS-UHFFFAOYSA-N 2 2 400.530 4.235 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000480762776 896125033 /nfs/dbraw/zinc/12/50/33/896125033.db2.gz LFVGIRLUHBDFHF-VJBMBRPKSA-N 2 2 408.030 4.204 20 0 HIADLP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000480762776 896125046 /nfs/dbraw/zinc/12/50/46/896125046.db2.gz LFVGIRLUHBDFHF-VJBMBRPKSA-N 2 2 408.030 4.204 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480772309 896135643 /nfs/dbraw/zinc/13/56/43/896135643.db2.gz UJIPMXLRASOQQY-FOVJLYNBSA-N 2 2 413.009 4.372 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000480772309 896135650 /nfs/dbraw/zinc/13/56/50/896135650.db2.gz UJIPMXLRASOQQY-FOVJLYNBSA-N 2 2 413.009 4.372 20 0 HIADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000480781191 896146250 /nfs/dbraw/zinc/14/62/50/896146250.db2.gz UHTLMFOEMYLYAU-MBSDFSHPSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1Oc1cccc(F)c1 ZINC000480781191 896146257 /nfs/dbraw/zinc/14/62/57/896146257.db2.gz UHTLMFOEMYLYAU-MBSDFSHPSA-N 2 2 406.505 4.408 20 0 HIADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nc(-c4c(F)cccc4F)cs3)CC2)CC1 ZINC000480865161 896230101 /nfs/dbraw/zinc/23/01/01/896230101.db2.gz JCBUEBMHURNXGC-UHFFFAOYSA-N 2 2 420.573 4.079 20 0 HIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000480908961 896264322 /nfs/dbraw/zinc/26/43/22/896264322.db2.gz LNXTWQHCNMSGOT-SFHVURJKSA-N 2 2 401.982 4.337 20 0 HIADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000480908961 896264345 /nfs/dbraw/zinc/26/43/45/896264345.db2.gz LNXTWQHCNMSGOT-SFHVURJKSA-N 2 2 401.982 4.337 20 0 HIADLP Cc1ccc2nc(NC(=O)C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)sc2c1 ZINC000481162322 896495113 /nfs/dbraw/zinc/49/51/13/896495113.db2.gz CJYNCDDJGANDES-HKUYNNGSSA-N 2 2 408.571 4.043 20 0 HIADLP Cc1ccc2nc(NC(=O)C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)sc2c1 ZINC000481162322 896495120 /nfs/dbraw/zinc/49/51/20/896495120.db2.gz CJYNCDDJGANDES-HKUYNNGSSA-N 2 2 408.571 4.043 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000481210553 896563940 /nfs/dbraw/zinc/56/39/40/896563940.db2.gz WBVNSLHXLNEKET-QGZVFWFLSA-N 2 2 408.464 4.267 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000481341350 896707491 /nfs/dbraw/zinc/70/74/91/896707491.db2.gz SOCAHUSYIDBOFN-WZONZLPQSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000481341350 896707515 /nfs/dbraw/zinc/70/75/15/896707515.db2.gz SOCAHUSYIDBOFN-WZONZLPQSA-N 2 2 406.505 4.408 20 0 HIADLP CCSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000481404839 896811478 /nfs/dbraw/zinc/81/14/78/896811478.db2.gz ONSMXWHINBPGIS-LJQANCHMSA-N 2 2 400.588 4.360 20 0 HIADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000481416886 896820531 /nfs/dbraw/zinc/82/05/31/896820531.db2.gz VDVWJTZTCUEUIP-HNAYVOBHSA-N 2 2 408.384 4.020 20 0 HIADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000481423500 896824983 /nfs/dbraw/zinc/82/49/83/896824983.db2.gz VKNOQHTXGGTVTD-KRWDZBQOSA-N 2 2 424.463 4.147 20 0 HIADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)cc1F ZINC000481575972 896955621 /nfs/dbraw/zinc/95/56/21/896955621.db2.gz QQAZLNMYVGJCDE-CQSZACIVSA-N 2 2 410.884 4.405 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000482114667 897565742 /nfs/dbraw/zinc/56/57/42/897565742.db2.gz OKLGMCZTANKROP-WZONZLPQSA-N 2 2 406.505 4.408 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000482114667 897565763 /nfs/dbraw/zinc/56/57/63/897565763.db2.gz OKLGMCZTANKROP-WZONZLPQSA-N 2 2 406.505 4.408 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000482162874 897627442 /nfs/dbraw/zinc/62/74/42/897627442.db2.gz JSHSNQLRZYGTRE-DPLHUUCSSA-N 2 2 423.601 4.407 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000482162874 897627455 /nfs/dbraw/zinc/62/74/55/897627455.db2.gz JSHSNQLRZYGTRE-DPLHUUCSSA-N 2 2 423.601 4.407 20 0 HIADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)[C@@H](C)C1 ZINC000482162875 897628105 /nfs/dbraw/zinc/62/81/05/897628105.db2.gz JSHSNQLRZYGTRE-HFMPRLQTSA-N 2 2 423.601 4.407 20 0 HIADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)[C@@H](C)C1 ZINC000482162875 897628115 /nfs/dbraw/zinc/62/81/15/897628115.db2.gz JSHSNQLRZYGTRE-HFMPRLQTSA-N 2 2 423.601 4.407 20 0 HIADLP CCC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)N1CCc2sccc2C1 ZINC000482253633 897734642 /nfs/dbraw/zinc/73/46/42/897734642.db2.gz RFFUYMAYLFFBGD-LAUBAEHRSA-N 2 2 408.571 4.338 20 0 HIADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000482462206 898036915 /nfs/dbraw/zinc/03/69/15/898036915.db2.gz VONHPOPHMCYODB-AVRDEDQJSA-N 2 2 409.574 4.277 20 0 HIADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000482462206 898036921 /nfs/dbraw/zinc/03/69/21/898036921.db2.gz VONHPOPHMCYODB-AVRDEDQJSA-N 2 2 409.574 4.277 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000482578047 898174066 /nfs/dbraw/zinc/17/40/66/898174066.db2.gz HCRWWLQEOWJNJK-GOSISDBHSA-N 2 2 421.520 4.436 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000482578047 898174076 /nfs/dbraw/zinc/17/40/76/898174076.db2.gz HCRWWLQEOWJNJK-GOSISDBHSA-N 2 2 421.520 4.436 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)oc1C ZINC000482883105 898497642 /nfs/dbraw/zinc/49/76/42/898497642.db2.gz CJXZTCDSYLKUJF-NTKDMRAZSA-N 3 2 410.606 4.004 20 0 HIADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)oc1C ZINC000482883105 898497647 /nfs/dbraw/zinc/49/76/47/898497647.db2.gz CJXZTCDSYLKUJF-NTKDMRAZSA-N 3 2 410.606 4.004 20 0 HIADLP Cc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)oc1C ZINC000482883105 898497655 /nfs/dbraw/zinc/49/76/55/898497655.db2.gz CJXZTCDSYLKUJF-NTKDMRAZSA-N 2 2 410.606 4.004 20 0 HIADLP Cc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)oc1C ZINC000482883105 898497666 /nfs/dbraw/zinc/49/76/66/898497666.db2.gz CJXZTCDSYLKUJF-NTKDMRAZSA-N 2 2 410.606 4.004 20 0 HIADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000483137166 898817549 /nfs/dbraw/zinc/81/75/49/898817549.db2.gz TZAHJGXIEBMDLI-DLBZAZTESA-N 2 2 404.551 4.105 20 0 HIADLP C[NH+]1CCC(CNC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)([NH+]2CCCCC2)CC1 ZINC000483798429 899471563 /nfs/dbraw/zinc/47/15/63/899471563.db2.gz ZBKDXUSLWPBIGQ-JOCHJYFZSA-N 2 2 416.585 4.013 20 0 HIADLP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccccc3I)CC2)[nH+]c1 ZINC000484125832 899747082 /nfs/dbraw/zinc/74/70/82/899747082.db2.gz CHGFIUAXEYHWTK-HNNXBMFYSA-N 2 2 421.326 4.314 20 0 HIADLP CCC(CC)(C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000484133597 899754535 /nfs/dbraw/zinc/75/45/35/899754535.db2.gz AILLXRRLWFQFOK-MOPGFXCFSA-N 2 2 417.619 4.155 20 0 HIADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1OC(F)F ZINC000484162502 899782098 /nfs/dbraw/zinc/78/20/98/899782098.db2.gz OSGHTZJIBJSRSR-HLAWJBBLSA-N 2 2 404.501 4.212 20 0 HIADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccccc1OC(F)F ZINC000484162502 899782106 /nfs/dbraw/zinc/78/21/06/899782106.db2.gz OSGHTZJIBJSRSR-HLAWJBBLSA-N 2 2 404.501 4.212 20 0 HIADLP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000485674197 900924923 /nfs/dbraw/zinc/92/49/23/900924923.db2.gz VPYOLQPSZTVXNV-UHFFFAOYSA-N 2 2 404.514 4.197 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1 ZINC000486181554 901367173 /nfs/dbraw/zinc/36/71/73/901367173.db2.gz DIWDOGYBJYUQAS-CQSZACIVSA-N 2 2 422.439 4.190 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486506690 901657542 /nfs/dbraw/zinc/65/75/42/901657542.db2.gz OKAONBCJPHRNPC-FGZHOGPDSA-N 2 2 404.574 4.189 20 0 HIADLP CCc1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000486506690 901657549 /nfs/dbraw/zinc/65/75/49/901657549.db2.gz OKAONBCJPHRNPC-FGZHOGPDSA-N 2 2 404.574 4.189 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000486821212 901874155 /nfs/dbraw/zinc/87/41/55/901874155.db2.gz LUEGHYLKWCTXKK-QZTJIDSGSA-N 2 2 423.026 4.292 20 0 HIADLP CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000486821212 901874158 /nfs/dbraw/zinc/87/41/58/901874158.db2.gz LUEGHYLKWCTXKK-QZTJIDSGSA-N 2 2 423.026 4.292 20 0 HIADLP Cc1ccc2snc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000489146426 903229670 /nfs/dbraw/zinc/22/96/70/903229670.db2.gz GGHYUEPLSXQRPB-PMACEKPBSA-N 2 2 414.619 4.014 20 0 HIADLP Cc1ccc2snc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000489146426 903229688 /nfs/dbraw/zinc/22/96/88/903229688.db2.gz GGHYUEPLSXQRPB-PMACEKPBSA-N 2 2 414.619 4.014 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2cccc(C[NH+](C)[C@@H]3CC[N@@H+](CC)[C@H](C)C3)c2)C[C@@H]1C ZINC000489251738 903288857 /nfs/dbraw/zinc/28/88/57/903288857.db2.gz FXKOIGBOQHTJQZ-MNHALERFSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@H]([NH+](C)Cc2cccc(C[NH+](C)[C@@H]3CC[N@H+](CC)[C@H](C)C3)c2)C[C@@H]1C ZINC000489251738 903288874 /nfs/dbraw/zinc/28/88/74/903288874.db2.gz FXKOIGBOQHTJQZ-MNHALERFSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C[NH+](C)[C@H]3CC[NH+](CC)[C@@H](C)C3)c2)C[C@H]1C ZINC000489251738 903288894 /nfs/dbraw/zinc/28/88/94/903288894.db2.gz FXKOIGBOQHTJQZ-MNHALERFSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C[NH+](C)[C@H]3CC[NH+](CC)[C@@H](C)C3)c2)C[C@H]1C ZINC000489251738 903288910 /nfs/dbraw/zinc/28/89/10/903288910.db2.gz FXKOIGBOQHTJQZ-MNHALERFSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccccc2C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000489254610 903292844 /nfs/dbraw/zinc/29/28/44/903292844.db2.gz KHEOMBFOGBWCCY-QMWXCIFZSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccccc2C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000489254610 903292857 /nfs/dbraw/zinc/29/28/57/903292857.db2.gz KHEOMBFOGBWCCY-QMWXCIFZSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccccc2C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)C[C@H]1C ZINC000489254610 903292873 /nfs/dbraw/zinc/29/28/73/903292873.db2.gz KHEOMBFOGBWCCY-QMWXCIFZSA-N 4 2 414.682 4.296 20 0 HIADLP CC[NH+]1CC[C@@H]([NH+](C)Cc2ccccc2C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)C[C@H]1C ZINC000489254610 903292877 /nfs/dbraw/zinc/29/28/77/903292877.db2.gz KHEOMBFOGBWCCY-QMWXCIFZSA-N 4 2 414.682 4.296 20 0 HIADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000489425046 903376769 /nfs/dbraw/zinc/37/67/69/903376769.db2.gz TYQTYSJEDQOCPU-PXLFARDKSA-N 2 2 424.633 4.093 20 0 HIADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000489425046 903376777 /nfs/dbraw/zinc/37/67/77/903376777.db2.gz TYQTYSJEDQOCPU-PXLFARDKSA-N 2 2 424.633 4.093 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)c(F)c1 ZINC000489490521 903418563 /nfs/dbraw/zinc/41/85/63/903418563.db2.gz XAQXGXDZSDGQPO-RRMPHLOHSA-N 2 2 421.354 4.122 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Br)c(F)c1 ZINC000489490521 903418572 /nfs/dbraw/zinc/41/85/72/903418572.db2.gz XAQXGXDZSDGQPO-RRMPHLOHSA-N 2 2 421.354 4.122 20 0 HIADLP C[C@@H](c1nnc(SCC[NH+]2CCC(C)CC2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000490583781 904116926 /nfs/dbraw/zinc/11/69/26/904116926.db2.gz WKVLZACIRQEBIX-INIZCTEOSA-N 2 2 408.015 4.367 20 0 HIADLP CSc1cccc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2cc(F)ccc2F)c1 ZINC000491036729 904388810 /nfs/dbraw/zinc/38/88/10/904388810.db2.gz ZFZHGITYTADRPI-ZHRRBRCNSA-N 2 2 405.558 4.002 20 0 HIADLP COc1ccccc1-c1ncc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn1 ZINC000491234066 904494243 /nfs/dbraw/zinc/49/42/43/904494243.db2.gz DVETWUHLIIAPSM-IBGZPJMESA-N 2 2 402.542 4.467 20 0 HIADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)CC1 ZINC000493989777 905332805 /nfs/dbraw/zinc/33/28/05/905332805.db2.gz MHTRPPMOPWGWAH-YTFSRNRJSA-N 2 2 416.512 4.345 20 0 HIADLP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)Nc1cccc(F)c1 ZINC000512426887 921153088 /nfs/dbraw/zinc/15/30/88/921153088.db2.gz JIWUZQWYURWIKQ-LJQANCHMSA-N 2 2 407.493 4.045 20 0 HIADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)Nc1cccc(F)c1 ZINC000512426887 921153095 /nfs/dbraw/zinc/15/30/95/921153095.db2.gz JIWUZQWYURWIKQ-LJQANCHMSA-N 2 2 407.493 4.045 20 0 HIADLP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000494880262 906058442 /nfs/dbraw/zinc/05/84/42/906058442.db2.gz RXEBNJIYDKJTPW-SQJMNOBHSA-N 2 2 411.565 4.095 20 0 HIADLP CC(C)c1cnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000494915050 906088988 /nfs/dbraw/zinc/08/89/88/906088988.db2.gz ALJMSJDZYJZLBO-ROUUACIJSA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)c1cnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000494915050 906088997 /nfs/dbraw/zinc/08/89/97/906088997.db2.gz ALJMSJDZYJZLBO-ROUUACIJSA-N 2 2 407.628 4.067 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000495435347 906450517 /nfs/dbraw/zinc/45/05/17/906450517.db2.gz WDDCCMRTGMTLRG-JTAQYXEDSA-N 2 2 403.574 4.445 20 0 HIADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnn1-c1ccc(C)cc1 ZINC000495435347 906450526 /nfs/dbraw/zinc/45/05/26/906450526.db2.gz WDDCCMRTGMTLRG-JTAQYXEDSA-N 2 2 403.574 4.445 20 0 HIADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1SCc1cccs1 ZINC000495833366 906558534 /nfs/dbraw/zinc/55/85/34/906558534.db2.gz VAOZBACBCZEVPA-UHFFFAOYSA-N 2 2 417.644 4.138 20 0 HIADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1SCc1cccs1 ZINC000495833366 906558538 /nfs/dbraw/zinc/55/85/38/906558538.db2.gz VAOZBACBCZEVPA-UHFFFAOYSA-N 2 2 417.644 4.138 20 0 HIADLP O=C(NC1CC1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000497277329 906827049 /nfs/dbraw/zinc/82/70/49/906827049.db2.gz RLAVJLLPUIQUGV-XMMPIXPASA-N 2 2 409.549 4.311 20 0 HIADLP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472342 906953004 /nfs/dbraw/zinc/95/30/04/906953004.db2.gz VENNMHDDWVGDIC-PKTZIBPZSA-N 2 2 415.528 4.370 20 0 HIADLP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472342 906953025 /nfs/dbraw/zinc/95/30/25/906953025.db2.gz VENNMHDDWVGDIC-PKTZIBPZSA-N 2 2 415.528 4.370 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472342 906953039 /nfs/dbraw/zinc/95/30/39/906953039.db2.gz VENNMHDDWVGDIC-PKTZIBPZSA-N 2 2 415.528 4.370 20 0 HIADLP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1)C(C)C ZINC000497472342 906953062 /nfs/dbraw/zinc/95/30/62/906953062.db2.gz VENNMHDDWVGDIC-PKTZIBPZSA-N 2 2 415.528 4.370 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c(C)c1 ZINC000497561382 907048666 /nfs/dbraw/zinc/04/86/66/907048666.db2.gz FMZIJZLJRLXCIX-DEOSSOPVSA-N 2 2 423.605 4.195 20 0 HIADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c(C)c1 ZINC000497561383 907049310 /nfs/dbraw/zinc/04/93/10/907049310.db2.gz FMZIJZLJRLXCIX-XMMPIXPASA-N 2 2 423.605 4.195 20 0 HIADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC000498350427 907852318 /nfs/dbraw/zinc/85/23/18/907852318.db2.gz XHISDJVWXAJZOU-SJORKVTESA-N 2 2 416.610 4.400 20 0 HIADLP CN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000498913897 908320789 /nfs/dbraw/zinc/32/07/89/908320789.db2.gz DYDMTDWEMOXTLE-GOSISDBHSA-N 2 2 407.587 4.093 20 0 HIADLP CN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000498913897 908320803 /nfs/dbraw/zinc/32/08/03/908320803.db2.gz DYDMTDWEMOXTLE-GOSISDBHSA-N 2 2 407.587 4.093 20 0 HIADLP Cc1[nH+]ccn1CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000499052292 908423657 /nfs/dbraw/zinc/42/36/57/908423657.db2.gz DFQUUYONKITVNX-UHFFFAOYSA-N 2 2 402.848 4.213 20 0 HIADLP Cc1[nH+]ccn1CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000499052292 908423666 /nfs/dbraw/zinc/42/36/66/908423666.db2.gz DFQUUYONKITVNX-UHFFFAOYSA-N 2 2 402.848 4.213 20 0 HIADLP CC[N@@H+](Cc1ccc(Oc2ccccc2)nn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000499057188 908427814 /nfs/dbraw/zinc/42/78/14/908427814.db2.gz SLMRFKQISZZYDF-UHFFFAOYSA-N 2 2 403.530 4.402 20 0 HIADLP CC[N@H+](Cc1ccc(Oc2ccccc2)nn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000499057188 908427827 /nfs/dbraw/zinc/42/78/27/908427827.db2.gz SLMRFKQISZZYDF-UHFFFAOYSA-N 2 2 403.530 4.402 20 0 HIADLP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)Nc1nccs1 ZINC000499174092 908525517 /nfs/dbraw/zinc/52/55/17/908525517.db2.gz GXVPUTKDIUZERU-WOZUAGRISA-N 2 2 412.603 4.282 20 0 HIADLP CC(C)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)Nc1nccs1 ZINC000499174092 908525528 /nfs/dbraw/zinc/52/55/28/908525528.db2.gz GXVPUTKDIUZERU-WOZUAGRISA-N 2 2 412.603 4.282 20 0 HIADLP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000499213653 908569720 /nfs/dbraw/zinc/56/97/20/908569720.db2.gz ALLNGSKOJDLZAT-XBYSBRQOSA-N 2 2 409.961 4.231 20 0 HIADLP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1c1ccc(Cl)cc1 ZINC000499213653 908569732 /nfs/dbraw/zinc/56/97/32/908569732.db2.gz ALLNGSKOJDLZAT-XBYSBRQOSA-N 2 2 409.961 4.231 20 0 HIADLP C[C@H]1CCC[C@@H](OCCCCCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000499421119 908788042 /nfs/dbraw/zinc/78/80/42/908788042.db2.gz LNYGFPYPHYFQHB-XZOQPEGZSA-N 2 2 421.670 4.209 20 0 HIADLP CCC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000513059053 921516012 /nfs/dbraw/zinc/51/60/12/921516012.db2.gz RAMVBROTUHSKOF-QFIPXVFZSA-N 2 2 400.611 4.247 20 0 HIADLP Cc1ccc(-c2ccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c(F)c2)cc1C ZINC000500373761 909822442 /nfs/dbraw/zinc/82/24/42/909822442.db2.gz ZITXFAVIMAPKTH-UHFFFAOYSA-N 2 2 423.576 4.398 20 0 HIADLP FC(F)(F)c1cccc(C2(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)CCOCC2)c1 ZINC000513072433 921526052 /nfs/dbraw/zinc/52/60/52/921526052.db2.gz AFTUAVJCFVPHCN-UHFFFAOYSA-N 2 2 419.491 4.407 20 0 HIADLP C[NH+]1CCC(CNC(=O)Cc2csc3ccc(Cl)cc23)([NH+]2CCCCC2)CC1 ZINC000501141810 910320938 /nfs/dbraw/zinc/32/09/38/910320938.db2.gz KZUTZWXSKGWVEO-UHFFFAOYSA-N 2 2 420.022 4.164 20 0 HIADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000501478385 910592148 /nfs/dbraw/zinc/59/21/48/910592148.db2.gz YABFFKVMKSTYPR-BGYRXZFFSA-N 2 2 407.558 4.144 20 0 HIADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000501478385 910592166 /nfs/dbraw/zinc/59/21/66/910592166.db2.gz YABFFKVMKSTYPR-BGYRXZFFSA-N 2 2 407.558 4.144 20 0 HIADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502319177 911292233 /nfs/dbraw/zinc/29/22/33/911292233.db2.gz JQYCRUWKBKZGAK-KRWDZBQOSA-N 2 2 423.513 4.140 20 0 HIADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502319177 911292264 /nfs/dbraw/zinc/29/22/64/911292264.db2.gz JQYCRUWKBKZGAK-KRWDZBQOSA-N 2 2 423.513 4.140 20 0 HIADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000502320819 911295794 /nfs/dbraw/zinc/29/57/94/911295794.db2.gz MNJIDZBVAZVJNM-HSZRJFAPSA-N 3 2 421.633 4.131 20 0 HIADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000502320819 911295827 /nfs/dbraw/zinc/29/58/27/911295827.db2.gz MNJIDZBVAZVJNM-HSZRJFAPSA-N 3 2 421.633 4.131 20 0 HIADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502330241 911309781 /nfs/dbraw/zinc/30/97/81/911309781.db2.gz CYYYXSWRJLPHQJ-HNNXBMFYSA-N 2 2 404.352 4.370 20 0 HIADLP COc1ccc(Br)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502330241 911309798 /nfs/dbraw/zinc/30/97/98/911309798.db2.gz CYYYXSWRJLPHQJ-HNNXBMFYSA-N 2 2 404.352 4.370 20 0 HIADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000502935983 911921741 /nfs/dbraw/zinc/92/17/41/911921741.db2.gz RJJLYYOINLLWSA-LJQANCHMSA-N 2 2 409.578 4.001 20 0 HIADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000503063913 912028389 /nfs/dbraw/zinc/02/83/89/912028389.db2.gz OUYIZLKJDLHLCX-XANCMCCPSA-N 2 2 422.960 4.325 20 0 HIADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000503063913 912028400 /nfs/dbraw/zinc/02/84/00/912028400.db2.gz OUYIZLKJDLHLCX-XANCMCCPSA-N 2 2 422.960 4.325 20 0 HIADLP C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503072949 912041396 /nfs/dbraw/zinc/04/13/96/912041396.db2.gz FDKSEGBSXXWYTH-WSTZPKSXSA-N 2 2 424.545 4.225 20 0 HIADLP C[C@@H](C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503072949 912041414 /nfs/dbraw/zinc/04/14/14/912041414.db2.gz FDKSEGBSXXWYTH-WSTZPKSXSA-N 2 2 424.545 4.225 20 0 HIADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000513423566 921792312 /nfs/dbraw/zinc/79/23/12/921792312.db2.gz LSKCWTZFXBEIPF-FQEVSTJZSA-N 2 2 409.574 4.056 20 0 HIADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000507065049 915849659 /nfs/dbraw/zinc/84/96/59/915849659.db2.gz OJYVEHCIHRAZOA-JOCHJYFZSA-N 2 2 423.605 4.150 20 0 HIADLP C[C@H](CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@H+](C)Cc1ccccc1 ZINC000507586070 916339894 /nfs/dbraw/zinc/33/98/94/916339894.db2.gz OZDPTXIVOWNFOH-IRLDBZIGSA-N 2 2 423.605 4.019 20 0 HIADLP C[C@H](CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000507586070 916339917 /nfs/dbraw/zinc/33/99/17/916339917.db2.gz OZDPTXIVOWNFOH-IRLDBZIGSA-N 2 2 423.605 4.019 20 0 HIADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(Cl)ccc1Cl ZINC000507813351 916606308 /nfs/dbraw/zinc/60/63/08/916606308.db2.gz QYLRZMTYGFCQCZ-OAHLLOKOSA-N 2 2 406.357 4.232 20 0 HIADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)CCC2 ZINC000507967525 916820281 /nfs/dbraw/zinc/82/02/81/916820281.db2.gz POESNWCYCDTOIM-ZDUSSCGKSA-N 2 2 400.267 4.223 20 0 HIADLP CCCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](CC)c1ccccc1 ZINC000508576540 917350283 /nfs/dbraw/zinc/35/02/83/917350283.db2.gz BTESIJDRIVILDX-QHCPKHFHSA-N 2 2 400.611 4.118 20 0 HIADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508888157 917641942 /nfs/dbraw/zinc/64/19/42/917641942.db2.gz CAQSSTHBQQEUMC-ABQRKTDGSA-N 2 2 417.557 4.102 20 0 HIADLP CCC[N@H+](C)[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000509037189 917791731 /nfs/dbraw/zinc/79/17/31/917791731.db2.gz CRVOVJOXVGASNH-PKOBYXMFSA-N 2 2 403.958 4.035 20 0 HIADLP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000509037189 917791737 /nfs/dbraw/zinc/79/17/37/917791737.db2.gz CRVOVJOXVGASNH-PKOBYXMFSA-N 2 2 403.958 4.035 20 0 HIADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509853996 918456399 /nfs/dbraw/zinc/45/63/99/918456399.db2.gz NEZPRRLIQXFNTL-OYRHEFFESA-N 2 2 418.626 4.128 20 0 HIADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000509853996 918456408 /nfs/dbraw/zinc/45/64/08/918456408.db2.gz NEZPRRLIQXFNTL-OYRHEFFESA-N 2 2 418.626 4.128 20 0 HIADLP COc1ccc(C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)c2ccc(OC)cc2)cc1 ZINC000510175328 918727236 /nfs/dbraw/zinc/72/72/36/918727236.db2.gz IQCSPSVCKMMYOA-QFIPXVFZSA-N 2 2 411.571 4.296 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ncc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000510496908 918944793 /nfs/dbraw/zinc/94/47/93/918944793.db2.gz RVYHRSLAQGEWDZ-DOTOQJQBSA-N 2 2 423.388 4.421 20 0 HIADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ncc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000510496908 918944795 /nfs/dbraw/zinc/94/47/95/918944795.db2.gz RVYHRSLAQGEWDZ-DOTOQJQBSA-N 2 2 423.388 4.421 20 0 HIADLP Cn1c2ccc(C[NH2+]Cc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)cc2oc1=O ZINC000510800396 919272996 /nfs/dbraw/zinc/27/29/96/919272996.db2.gz ZELMLHDBMNVZFA-UHFFFAOYSA-N 2 2 424.504 4.333 20 0 HIADLP C[C@H](c1cccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000510853706 919341390 /nfs/dbraw/zinc/34/13/90/919341390.db2.gz RGBPZWAQFYQUEW-QGZVFWFLSA-N 2 2 407.514 4.140 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000510952582 919485458 /nfs/dbraw/zinc/48/54/58/919485458.db2.gz RPULQPVDFOQOCE-HTAPYJJXSA-N 2 2 418.578 4.181 20 0 HIADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000510952582 919485478 /nfs/dbraw/zinc/48/54/78/919485478.db2.gz RPULQPVDFOQOCE-HTAPYJJXSA-N 2 2 418.578 4.181 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000511007352 919567968 /nfs/dbraw/zinc/56/79/68/919567968.db2.gz BCKNETGTEUBLBO-AVRDEDQJSA-N 2 2 400.588 4.041 20 0 HIADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000511007352 919567984 /nfs/dbraw/zinc/56/79/84/919567984.db2.gz BCKNETGTEUBLBO-AVRDEDQJSA-N 2 2 400.588 4.041 20 0 HIADLP CCCC[N@H+](C)CC1CCN(C(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)CC1 ZINC000511300150 919894679 /nfs/dbraw/zinc/89/46/79/919894679.db2.gz HSZQKRASALMHOG-SFHVURJKSA-N 2 2 421.655 4.351 20 0 HIADLP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)CC1 ZINC000511300150 919894686 /nfs/dbraw/zinc/89/46/86/919894686.db2.gz HSZQKRASALMHOG-SFHVURJKSA-N 2 2 421.655 4.351 20 0 HIADLP CCCC[NH+](C)CC1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000511300150 919894690 /nfs/dbraw/zinc/89/46/90/919894690.db2.gz HSZQKRASALMHOG-SFHVURJKSA-N 2 2 421.655 4.351 20 0 HIADLP CCCC[NH+](C)CC1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000511300150 919894691 /nfs/dbraw/zinc/89/46/91/919894691.db2.gz HSZQKRASALMHOG-SFHVURJKSA-N 2 2 421.655 4.351 20 0 HIADLP C[N@@H+]1CCO[C@@H]([C@@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000511376936 919976702 /nfs/dbraw/zinc/97/67/02/919976702.db2.gz ILMGYBWIJXPAPT-PKTZIBPZSA-N 2 2 406.014 4.098 20 0 HIADLP C[N@H+]1CCO[C@@H]([C@@H](NC2CC[NH+](C3CCCCC3)CC2)c2ccc(Cl)cc2)C1 ZINC000511376936 919976709 /nfs/dbraw/zinc/97/67/09/919976709.db2.gz ILMGYBWIJXPAPT-PKTZIBPZSA-N 2 2 406.014 4.098 20 0 HIADLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc(Br)c1OC(F)F ZINC000512364766 921107382 /nfs/dbraw/zinc/10/73/82/921107382.db2.gz LVMAJTJSRLQRPU-UHFFFAOYSA-N 2 2 416.266 4.162 20 0 HIADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000513786739 922112224 /nfs/dbraw/zinc/11/22/24/922112224.db2.gz MLQKDNMBBQQGAG-QFIPXVFZSA-N 2 2 406.574 4.150 20 0 HIADLP CC[N@H+](CCCO[C@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514117766 922450217 /nfs/dbraw/zinc/45/02/17/922450217.db2.gz AUCZHOHHGOHZQJ-QFIPXVFZSA-N 2 2 404.599 4.132 20 0 HIADLP CC[N@@H+](CCCO[C@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000514117766 922450223 /nfs/dbraw/zinc/45/02/23/922450223.db2.gz AUCZHOHHGOHZQJ-QFIPXVFZSA-N 2 2 404.599 4.132 20 0 HIADLP CC(C)c1scnc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000515249868 923016938 /nfs/dbraw/zinc/01/69/38/923016938.db2.gz KWIMIZJWRHTIDF-ROUUACIJSA-N 2 2 407.628 4.067 20 0 HIADLP CC(C)c1scnc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000515249868 923016948 /nfs/dbraw/zinc/01/69/48/923016948.db2.gz KWIMIZJWRHTIDF-ROUUACIJSA-N 2 2 407.628 4.067 20 0 HIADLP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cc2c(C)nn(C)c2s1)c1ccccc1 ZINC000515688698 923271806 /nfs/dbraw/zinc/27/18/06/923271806.db2.gz WIUKTWAESKQEEJ-FXAWDEMLSA-N 2 2 400.592 4.303 20 0 HIADLP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H](C)c1cc2c(C)nn(C)c2s1)c1ccccc1 ZINC000515688698 923271823 /nfs/dbraw/zinc/27/18/23/923271823.db2.gz WIUKTWAESKQEEJ-FXAWDEMLSA-N 2 2 400.592 4.303 20 0 HIADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000516622443 923820638 /nfs/dbraw/zinc/82/06/38/923820638.db2.gz KGNJUQXMXLMZFZ-IRXDYDNUSA-N 2 2 407.628 4.007 20 0 HIADLP CCCC[N@H+](C)CC1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000517129189 924014594 /nfs/dbraw/zinc/01/45/94/924014594.db2.gz IZAQHUKOZXAWEI-HXUWFJFHSA-N 2 2 416.610 4.056 20 0 HIADLP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000517129189 924014606 /nfs/dbraw/zinc/01/46/06/924014606.db2.gz IZAQHUKOZXAWEI-HXUWFJFHSA-N 2 2 416.610 4.056 20 0 HIADLP C[C@@H](c1cccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000517131592 924016718 /nfs/dbraw/zinc/01/67/18/924016718.db2.gz FQAUPBFDXLUWQC-RDPSFJRHSA-N 2 2 422.573 4.038 20 0 HIADLP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C(C)(C)n1cncn1 ZINC000517250815 924061651 /nfs/dbraw/zinc/06/16/51/924061651.db2.gz QUCKNYPFSVDIAP-LJQANCHMSA-N 2 2 400.530 4.103 20 0 HIADLP CC[NH+](CC)[C@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1ccccc1 ZINC000519081125 927756180 /nfs/dbraw/zinc/75/61/80/927756180.db2.gz NITKMJSPWRZFHA-FQEVSTJZSA-N 2 2 400.592 4.397 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668679 928041957 /nfs/dbraw/zinc/04/19/57/928041957.db2.gz JPAQAHTWYYUUBV-IEBWSBKVSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668679 928041972 /nfs/dbraw/zinc/04/19/72/928041972.db2.gz JPAQAHTWYYUUBV-IEBWSBKVSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668679 928041987 /nfs/dbraw/zinc/04/19/87/928041987.db2.gz JPAQAHTWYYUUBV-IEBWSBKVSA-N 2 2 420.022 4.169 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NCc3ccc(Cl)cc3)C2)s1 ZINC000519668679 928042000 /nfs/dbraw/zinc/04/20/00/928042000.db2.gz JPAQAHTWYYUUBV-IEBWSBKVSA-N 2 2 420.022 4.169 20 0 HIADLP c1ccc([C@@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)[NH+]2CCSCC2)cc1 ZINC000521680842 929363219 /nfs/dbraw/zinc/36/32/19/929363219.db2.gz ICOQKDMUKIIPLN-QFIPXVFZSA-N 2 2 420.582 4.471 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000521836594 929488029 /nfs/dbraw/zinc/48/80/29/929488029.db2.gz NSEZZWVPMTWVFR-LGVFNWMJSA-N 2 2 421.585 4.147 20 0 HIADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000521836594 929488043 /nfs/dbraw/zinc/48/80/43/929488043.db2.gz NSEZZWVPMTWVFR-LGVFNWMJSA-N 2 2 421.585 4.147 20 0 HIADLP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000524815587 929840910 /nfs/dbraw/zinc/84/09/10/929840910.db2.gz GFOTZTOAVFXREI-YKSBVNFPSA-N 2 2 402.542 4.057 20 0 HIADLP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000524815587 929840911 /nfs/dbraw/zinc/84/09/11/929840911.db2.gz GFOTZTOAVFXREI-YKSBVNFPSA-N 2 2 402.542 4.057 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000524884191 929871819 /nfs/dbraw/zinc/87/18/19/929871819.db2.gz VYHSQLFRYXYVQD-PGRDOPGGSA-N 2 2 412.480 4.197 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000524884191 929871821 /nfs/dbraw/zinc/87/18/21/929871821.db2.gz VYHSQLFRYXYVQD-PGRDOPGGSA-N 2 2 412.480 4.197 20 0 HIADLP CC[N@H+](C)[C@@H](C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)c1ccccc1 ZINC000525098177 930033589 /nfs/dbraw/zinc/03/35/89/930033589.db2.gz QGOVHFLKJGLHFL-XMMPIXPASA-N 2 2 405.542 4.221 20 0 HIADLP CC[N@@H+](C)[C@@H](C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)c1ccccc1 ZINC000525098177 930033594 /nfs/dbraw/zinc/03/35/94/930033594.db2.gz QGOVHFLKJGLHFL-XMMPIXPASA-N 2 2 405.542 4.221 20 0 HIADLP CC[NH+](C)[C@@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000525098177 930033601 /nfs/dbraw/zinc/03/36/01/930033601.db2.gz QGOVHFLKJGLHFL-XMMPIXPASA-N 2 2 405.542 4.221 20 0 HIADLP CC[NH+](C)[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000525098177 930033606 /nfs/dbraw/zinc/03/36/06/930033606.db2.gz QGOVHFLKJGLHFL-XMMPIXPASA-N 2 2 405.542 4.221 20 0 HIADLP CC[N@H+](C[C@@H](O)COc1ccc2ccccc2c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525269238 930120685 /nfs/dbraw/zinc/12/06/85/930120685.db2.gz DREBSQUHOJTHMX-XMMPIXPASA-N 2 2 419.569 4.213 20 0 HIADLP CC[N@@H+](C[C@@H](O)COc1ccc2ccccc2c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525269238 930120699 /nfs/dbraw/zinc/12/06/99/930120699.db2.gz DREBSQUHOJTHMX-XMMPIXPASA-N 2 2 419.569 4.213 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000530372102 930696763 /nfs/dbraw/zinc/69/67/63/930696763.db2.gz HESVJLXHJVKIDL-IFXJQAMLSA-N 2 2 405.420 4.464 20 0 HIADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000531644464 931137319 /nfs/dbraw/zinc/13/73/19/931137319.db2.gz XOWIXWBIWNQSGK-LJQANCHMSA-N 2 2 407.345 4.191 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(I)cc1 ZINC000531941073 931254820 /nfs/dbraw/zinc/25/48/20/931254820.db2.gz JLMUSWSSIXOWBS-HNNXBMFYSA-N 2 2 417.294 4.387 20 0 HIADLP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1I ZINC000531941242 931254910 /nfs/dbraw/zinc/25/49/10/931254910.db2.gz VXTBCZQMPFRSCN-HNNXBMFYSA-N 2 2 417.294 4.387 20 0 HIADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000531950417 931259463 /nfs/dbraw/zinc/25/94/63/931259463.db2.gz KPFPPVYOTWSTIS-INIZCTEOSA-N 2 2 414.912 4.192 20 0 HIADLP COc1cccc(OC)c1Oc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000531955037 931262364 /nfs/dbraw/zinc/26/23/64/931262364.db2.gz UKEYTCTVHFEDHQ-UHFFFAOYSA-N 2 2 420.513 4.045 20 0 HIADLP O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000531994791 931279728 /nfs/dbraw/zinc/27/97/28/931279728.db2.gz PPVFDDCBMXASMO-UHFFFAOYSA-N 2 2 404.489 4.232 20 0 HIADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000532207347 931350682 /nfs/dbraw/zinc/35/06/82/931350682.db2.gz AMKWGSBBWGSPAP-INIZCTEOSA-N 2 2 414.912 4.192 20 0 HIADLP FC(F)CN1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000532485620 931456599 /nfs/dbraw/zinc/45/65/99/931456599.db2.gz DZQKWFGAWYIRLD-UHFFFAOYSA-N 2 2 410.512 4.418 20 0 HIADLP CC[N@H+](Cc1nc(-c2ccccc2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532734370 931617158 /nfs/dbraw/zinc/61/71/58/931617158.db2.gz SGFJYFYJIVSZHG-UHFFFAOYSA-N 2 2 420.561 4.449 20 0 HIADLP CC[N@@H+](Cc1nc(-c2ccccc2)no1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532734370 931617162 /nfs/dbraw/zinc/61/71/62/931617162.db2.gz SGFJYFYJIVSZHG-UHFFFAOYSA-N 2 2 420.561 4.449 20 0 HIADLP Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)sc1Br ZINC000532866973 931673181 /nfs/dbraw/zinc/67/31/81/931673181.db2.gz GOMMVFFLGBCYON-UHFFFAOYSA-N 2 2 409.397 4.357 20 0 HIADLP CCOc1c(Cl)cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1OC ZINC000532866675 931673420 /nfs/dbraw/zinc/67/34/20/931673420.db2.gz ZMIYBWXHXZMKJD-UHFFFAOYSA-N 2 2 418.969 4.285 20 0 HIADLP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000532956649 931711826 /nfs/dbraw/zinc/71/18/26/931711826.db2.gz CMRULIUQOWJIMH-ZACQAIPSSA-N 2 2 406.521 4.314 20 0 HIADLP CC[N@H+](CC[S@](=O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073238 931763776 /nfs/dbraw/zinc/76/37/76/931763776.db2.gz MLEGTUAYFCJVPD-LJAQVGFWSA-N 2 2 414.619 4.007 20 0 HIADLP CC[N@@H+](CC[S@](=O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073238 931763781 /nfs/dbraw/zinc/76/37/81/931763781.db2.gz MLEGTUAYFCJVPD-LJAQVGFWSA-N 2 2 414.619 4.007 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC000533084174 931767612 /nfs/dbraw/zinc/76/76/12/931767612.db2.gz ANAWTSRODCGXTQ-QHCPKHFHSA-N 2 2 411.594 4.003 20 0 HIADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC000533084174 931767621 /nfs/dbraw/zinc/76/76/21/931767621.db2.gz ANAWTSRODCGXTQ-QHCPKHFHSA-N 2 2 411.594 4.003 20 0 HIADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3cccc(NC(=O)c4ccccc4)c3)CC2)c1 ZINC000533286833 931828446 /nfs/dbraw/zinc/82/84/46/931828446.db2.gz KUICZTCCTJZWGC-LJQANCHMSA-N 2 2 416.525 4.226 20 0 HIADLP C[N@H+](C[C@@H](O)COc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000533382818 931853966 /nfs/dbraw/zinc/85/39/66/931853966.db2.gz KFYBQKFEIQEGRU-RUZDIDTESA-N 2 2 404.554 4.176 20 0 HIADLP C[N@@H+](C[C@@H](O)COc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000533382818 931853968 /nfs/dbraw/zinc/85/39/68/931853968.db2.gz KFYBQKFEIQEGRU-RUZDIDTESA-N 2 2 404.554 4.176 20 0 HIADLP CN(C(=O)[C@H]1CCSc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533646841 931943693 /nfs/dbraw/zinc/94/36/93/931943693.db2.gz DOEGDCGDMBVQJI-BDTNDASRSA-N 2 2 415.647 4.062 20 0 HIADLP CN(C(=O)[C@H]1CCSc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533646841 931943699 /nfs/dbraw/zinc/94/36/99/931943699.db2.gz DOEGDCGDMBVQJI-BDTNDASRSA-N 2 2 415.647 4.062 20 0 HIADLP Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)on2)cc1 ZINC000533649052 931944118 /nfs/dbraw/zinc/94/41/18/931944118.db2.gz PBNRWIBHHJLRDQ-PKTZIBPZSA-N 2 2 424.589 4.059 20 0 HIADLP Cc1ccc(-c2cc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)on2)cc1 ZINC000533649052 931944123 /nfs/dbraw/zinc/94/41/23/931944123.db2.gz PBNRWIBHHJLRDQ-PKTZIBPZSA-N 2 2 424.589 4.059 20 0 HIADLP CN(C(=O)c1[nH]c2ccccc2c1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533648431 931944869 /nfs/dbraw/zinc/94/48/69/931944869.db2.gz NVVRJIOTVKZZDD-WOJBJXKFSA-N 2 2 416.997 4.231 20 0 HIADLP CN(C(=O)c1[nH]c2ccccc2c1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533648431 931944875 /nfs/dbraw/zinc/94/48/75/931944875.db2.gz NVVRJIOTVKZZDD-WOJBJXKFSA-N 2 2 416.997 4.231 20 0 HIADLP CSc1ccc(Cl)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533649288 931945502 /nfs/dbraw/zinc/94/55/02/931945502.db2.gz PQKVZHCXROIEJP-SFTDATJTSA-N 2 2 424.054 4.471 20 0 HIADLP CSc1ccc(Cl)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533649288 931945506 /nfs/dbraw/zinc/94/55/06/931945506.db2.gz PQKVZHCXROIEJP-SFTDATJTSA-N 2 2 424.054 4.471 20 0 HIADLP CSc1ccc(Cl)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533649285 931945536 /nfs/dbraw/zinc/94/55/36/931945536.db2.gz PQKVZHCXROIEJP-NHCUHLMSSA-N 2 2 424.054 4.471 20 0 HIADLP CSc1ccc(Cl)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000533649285 931945544 /nfs/dbraw/zinc/94/55/44/931945544.db2.gz PQKVZHCXROIEJP-NHCUHLMSSA-N 2 2 424.054 4.471 20 0 HIADLP CN(C(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000533650302 931945956 /nfs/dbraw/zinc/94/59/56/931945956.db2.gz WBDAIIZBEJKVTK-PMACEKPBSA-N 2 2 411.512 4.115 20 0 HIADLP CN(C(=O)c1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000533650302 931945964 /nfs/dbraw/zinc/94/59/64/931945964.db2.gz WBDAIIZBEJKVTK-PMACEKPBSA-N 2 2 411.512 4.115 20 0 HIADLP CC[NH+](CC)CC1CC[NH+](Cc2csc(N(C(C)=O)c3ccccc3)n2)CC1 ZINC000533777629 932029023 /nfs/dbraw/zinc/02/90/23/932029023.db2.gz PAOKTWGZENYAPG-UHFFFAOYSA-N 2 2 400.592 4.382 20 0 HIADLP CCS[C@H](C)c1noc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534231102 932351072 /nfs/dbraw/zinc/35/10/72/932351072.db2.gz YQMAXZLIKWCNKS-GOSISDBHSA-N 2 2 400.592 4.372 20 0 HIADLP CCS[C@H](C)c1noc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534231102 932351079 /nfs/dbraw/zinc/35/10/79/932351079.db2.gz YQMAXZLIKWCNKS-GOSISDBHSA-N 2 2 400.592 4.372 20 0 HIADLP CN(C(=O)C/C=C\c1ccccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359319 932393186 /nfs/dbraw/zinc/39/31/86/932393186.db2.gz IANXRGCDIYGYKB-ZGUCWBMNSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)C/C=C\c1ccccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359319 932393190 /nfs/dbraw/zinc/39/31/90/932393190.db2.gz IANXRGCDIYGYKB-ZGUCWBMNSA-N 2 2 401.570 4.025 20 0 HIADLP CN(C(=O)c1cc(Cl)sc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534361141 932395151 /nfs/dbraw/zinc/39/51/51/932395151.db2.gz SYEJEXHGQWVJMT-JKSUJKDBSA-N 2 2 418.434 4.464 20 0 HIADLP CN(C(=O)c1cc(Cl)sc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534361141 932395156 /nfs/dbraw/zinc/39/51/56/932395156.db2.gz SYEJEXHGQWVJMT-JKSUJKDBSA-N 2 2 418.434 4.464 20 0 HIADLP CN(C(=O)N[C@@H](c1ccccc1)C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534375882 932404481 /nfs/dbraw/zinc/40/44/81/932404481.db2.gz OGEPNNNRJKBSTF-SGNDLWITSA-N 2 2 412.622 4.116 20 0 HIADLP CN(C(=O)N[C@@H](c1ccccc1)C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534375882 932404485 /nfs/dbraw/zinc/40/44/85/932404485.db2.gz OGEPNNNRJKBSTF-SGNDLWITSA-N 2 2 412.622 4.116 20 0 HIADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534600233 932585793 /nfs/dbraw/zinc/58/57/93/932585793.db2.gz MQSZREOIAOPGEQ-LJQANCHMSA-N 2 2 407.562 4.378 20 0 HIADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534600233 932585795 /nfs/dbraw/zinc/58/57/95/932585795.db2.gz MQSZREOIAOPGEQ-LJQANCHMSA-N 2 2 407.562 4.378 20 0 HIADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534600232 932586509 /nfs/dbraw/zinc/58/65/09/932586509.db2.gz MQSZREOIAOPGEQ-IBGZPJMESA-N 2 2 407.562 4.378 20 0 HIADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534600232 932586523 /nfs/dbraw/zinc/58/65/23/932586523.db2.gz MQSZREOIAOPGEQ-IBGZPJMESA-N 2 2 407.562 4.378 20 0 HIADLP C[N@@H+]1CCC[C@H]1CCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000534605512 932589495 /nfs/dbraw/zinc/58/94/95/932589495.db2.gz QTMBCACUTONKPA-KRWDZBQOSA-N 2 2 405.999 4.093 20 0 HIADLP C[N@H+]1CCC[C@H]1CCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000534605512 932589505 /nfs/dbraw/zinc/58/95/05/932589505.db2.gz QTMBCACUTONKPA-KRWDZBQOSA-N 2 2 405.999 4.093 20 0 HIADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000534793177 932773586 /nfs/dbraw/zinc/77/35/86/932773586.db2.gz HWVNXTLXXCXCPL-KNXBSLHKSA-N 2 2 405.369 4.453 20 0 HIADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000534793177 932773589 /nfs/dbraw/zinc/77/35/89/932773589.db2.gz HWVNXTLXXCXCPL-KNXBSLHKSA-N 2 2 405.369 4.453 20 0 HIADLP CCSc1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096024 932910999 /nfs/dbraw/zinc/91/09/99/932910999.db2.gz NIYPGFBKSFIRCZ-GOTSBHOMSA-N 2 2 417.663 4.137 20 0 HIADLP CCSc1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535096024 932911008 /nfs/dbraw/zinc/91/10/08/932911008.db2.gz NIYPGFBKSFIRCZ-GOTSBHOMSA-N 2 2 417.663 4.137 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000535327712 933075332 /nfs/dbraw/zinc/07/53/32/933075332.db2.gz QIAPDLMBCFFYMV-XXBNENTESA-N 2 2 417.557 4.082 20 0 HIADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000535327712 933075339 /nfs/dbraw/zinc/07/53/39/933075339.db2.gz QIAPDLMBCFFYMV-XXBNENTESA-N 2 2 417.557 4.082 20 0 HIADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@@H]21 ZINC000535807940 933403012 /nfs/dbraw/zinc/40/30/12/933403012.db2.gz JJIKUPBMUYOOIA-QAPCUYQASA-N 2 2 406.393 4.489 20 0 HIADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@@H]21 ZINC000535807940 933403019 /nfs/dbraw/zinc/40/30/19/933403019.db2.gz JJIKUPBMUYOOIA-QAPCUYQASA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@@H]21 ZINC000535807940 933403024 /nfs/dbraw/zinc/40/30/24/933403024.db2.gz JJIKUPBMUYOOIA-QAPCUYQASA-N 2 2 406.393 4.489 20 0 HIADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4cccc(Br)c4)n3)CC[C@@H]21 ZINC000535807940 933403030 /nfs/dbraw/zinc/40/30/30/933403030.db2.gz JJIKUPBMUYOOIA-QAPCUYQASA-N 2 2 406.393 4.489 20 0 HIADLP CCc1cccc2c(CC(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535849426 933429341 /nfs/dbraw/zinc/42/93/41/933429341.db2.gz AZJMKPBXVAPGAF-RPWUZVMVSA-N 2 2 424.633 4.068 20 0 HIADLP CCc1cccc2c(CC(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c[nH]c21 ZINC000535849426 933429347 /nfs/dbraw/zinc/42/93/47/933429347.db2.gz AZJMKPBXVAPGAF-RPWUZVMVSA-N 2 2 424.633 4.068 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000535849422 933430102 /nfs/dbraw/zinc/43/01/02/933430102.db2.gz AWEOSLHHYSBXDY-VLCRHTCISA-N 2 2 411.590 4.332 20 0 HIADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000535849422 933430110 /nfs/dbraw/zinc/43/01/10/933430110.db2.gz AWEOSLHHYSBXDY-VLCRHTCISA-N 2 2 411.590 4.332 20 0 HIADLP CN(C(=O)c1ccc(C(C)(C)C)s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535850531 933431620 /nfs/dbraw/zinc/43/16/20/933431620.db2.gz DZQYRIYKPQVPOU-MOPGFXCFSA-N 2 2 405.652 4.455 20 0 HIADLP CN(C(=O)c1ccc(C(C)(C)C)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535850531 933431624 /nfs/dbraw/zinc/43/16/24/933431624.db2.gz DZQYRIYKPQVPOU-MOPGFXCFSA-N 2 2 405.652 4.455 20 0 HIADLP CCCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535851623 933434561 /nfs/dbraw/zinc/43/45/61/933434561.db2.gz IWOUGLUZRASAFM-DNQXCXABSA-N 2 2 415.622 4.275 20 0 HIADLP CCCCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000535851623 933434565 /nfs/dbraw/zinc/43/45/65/933434565.db2.gz IWOUGLUZRASAFM-DNQXCXABSA-N 2 2 415.622 4.275 20 0 HIADLP CN(C(=O)CCSc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535851991 933435909 /nfs/dbraw/zinc/43/59/09/933435909.db2.gz ZZVSKNHDRCHJED-LEWJYISDSA-N 2 2 421.626 4.104 20 0 HIADLP CN(C(=O)CCSc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535851991 933435915 /nfs/dbraw/zinc/43/59/15/933435915.db2.gz ZZVSKNHDRCHJED-LEWJYISDSA-N 2 2 421.626 4.104 20 0 HIADLP CCOc1c(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c(C)nn1CC(C)C ZINC000537617685 938334728 /nfs/dbraw/zinc/33/47/28/938334728.db2.gz CKBSMHHEPYHMTC-UHFFFAOYSA-N 2 2 413.610 4.380 20 0 HIADLP CCOc1c(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)c(C)nn1CC(C)C ZINC000537617685 938334730 /nfs/dbraw/zinc/33/47/30/938334730.db2.gz CKBSMHHEPYHMTC-UHFFFAOYSA-N 2 2 413.610 4.380 20 0 HIADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000537630237 938340525 /nfs/dbraw/zinc/34/05/25/938340525.db2.gz OJHLTJHHBYRWMJ-UHFFFAOYSA-N 2 2 414.619 4.063 20 0 HIADLP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000537750197 938369091 /nfs/dbraw/zinc/36/90/91/938369091.db2.gz VTBBSYAQPKSYSP-UHFFFAOYSA-N 3 2 415.025 4.223 20 0 HIADLP COc1ccccc1[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000538101548 938502891 /nfs/dbraw/zinc/50/28/91/938502891.db2.gz VYWCCZIRUDWQKM-AREMUKBSSA-N 2 2 424.585 4.427 20 0 HIADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1 ZINC000538269250 938579863 /nfs/dbraw/zinc/57/98/63/938579863.db2.gz XNSCUAXUJFNLPD-CYBMUJFWSA-N 2 2 405.527 4.231 20 0 HIADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4c3cc(Br)cc4F)[nH+]c2)C1 ZINC000538559169 938649146 /nfs/dbraw/zinc/64/91/46/938649146.db2.gz BEEKFIWATVUWIC-KXBFYZLASA-N 2 2 419.342 4.223 20 0 HIADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4c3cc(Br)cc4F)[nH+]c2)C1 ZINC000538559163 938649153 /nfs/dbraw/zinc/64/91/53/938649153.db2.gz BEEKFIWATVUWIC-BEFAXECRSA-N 2 2 419.342 4.223 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCc4c3cccc4Br)[nH+]c2)CC1 ZINC000538587693 938656085 /nfs/dbraw/zinc/65/60/85/938656085.db2.gz VFYRDGRJCPEEKE-HXUWFJFHSA-N 2 2 415.379 4.474 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000538749624 938700642 /nfs/dbraw/zinc/70/06/42/938700642.db2.gz XXVOVDQRBHKBFS-GOSISDBHSA-N 2 2 417.395 4.107 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000538749624 938700644 /nfs/dbraw/zinc/70/06/44/938700644.db2.gz XXVOVDQRBHKBFS-GOSISDBHSA-N 2 2 417.395 4.107 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000538749624 938700645 /nfs/dbraw/zinc/70/06/45/938700645.db2.gz XXVOVDQRBHKBFS-GOSISDBHSA-N 2 2 417.395 4.107 20 0 HIADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000538749624 938700647 /nfs/dbraw/zinc/70/06/47/938700647.db2.gz XXVOVDQRBHKBFS-GOSISDBHSA-N 2 2 417.395 4.107 20 0 HIADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1OCc1cccs1 ZINC000538752165 938702679 /nfs/dbraw/zinc/70/26/79/938702679.db2.gz MVYZRKXUZXVHGF-FQEVSTJZSA-N 2 2 400.588 4.499 20 0 HIADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1OCc1cccs1 ZINC000538752165 938702682 /nfs/dbraw/zinc/70/26/82/938702682.db2.gz MVYZRKXUZXVHGF-FQEVSTJZSA-N 2 2 400.588 4.499 20 0 HIADLP COc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1OCc1cccs1 ZINC000538752165 938702683 /nfs/dbraw/zinc/70/26/83/938702683.db2.gz MVYZRKXUZXVHGF-FQEVSTJZSA-N 2 2 400.588 4.499 20 0 HIADLP COc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1OCc1cccs1 ZINC000538752165 938702686 /nfs/dbraw/zinc/70/26/86/938702686.db2.gz MVYZRKXUZXVHGF-FQEVSTJZSA-N 2 2 400.588 4.499 20 0 HIADLP COC[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc(F)c(F)c1 ZINC000539307814 938838195 /nfs/dbraw/zinc/83/81/95/938838195.db2.gz ALBJNBCGODYWGQ-QQMNAOGKSA-N 2 2 404.501 4.051 20 0 HIADLP Cc1ccc(Cl)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539457844 938863791 /nfs/dbraw/zinc/86/37/91/938863791.db2.gz OANFBBCAUZKXCR-SFTDATJTSA-N 2 2 407.002 4.449 20 0 HIADLP Cc1ccc(Cl)c(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000539457844 938863792 /nfs/dbraw/zinc/86/37/92/938863792.db2.gz OANFBBCAUZKXCR-SFTDATJTSA-N 2 2 407.002 4.449 20 0 HIADLP CN(C(=O)Nc1cc(F)ccc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539460123 938863920 /nfs/dbraw/zinc/86/39/20/938863920.db2.gz JBLYCHGHWSWJHV-PMACEKPBSA-N 2 2 410.965 4.280 20 0 HIADLP CN(C(=O)Nc1cc(F)ccc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539460123 938863923 /nfs/dbraw/zinc/86/39/23/938863923.db2.gz JBLYCHGHWSWJHV-PMACEKPBSA-N 2 2 410.965 4.280 20 0 HIADLP Cc1c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cnn1-c1ccc(F)cc1 ZINC000539658520 938895536 /nfs/dbraw/zinc/89/55/36/938895536.db2.gz AVGKFTBYGSYUKU-KKSFZXQISA-N 2 2 408.525 4.028 20 0 HIADLP CCCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540536146 939294024 /nfs/dbraw/zinc/29/40/24/939294024.db2.gz ALAHENHROLGMHZ-XZOQPEGZSA-N 2 2 416.610 4.276 20 0 HIADLP CCCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000540536146 939294028 /nfs/dbraw/zinc/29/40/28/939294028.db2.gz ALAHENHROLGMHZ-XZOQPEGZSA-N 2 2 416.610 4.276 20 0 HIADLP Cn1cccc1[C@H]1CCCC[N@@H+]1CC1(C[NH+]2CCCC[C@H]2c2cccn2C)COC1 ZINC000541073166 939451010 /nfs/dbraw/zinc/45/10/10/939451010.db2.gz ZRLORXPSSNOMMT-PSWAGMNNSA-N 2 2 410.606 4.134 20 0 HIADLP Cn1cccc1[C@H]1CCCC[N@H+]1CC1(C[NH+]2CCCC[C@H]2c2cccn2C)COC1 ZINC000541073166 939451013 /nfs/dbraw/zinc/45/10/13/939451013.db2.gz ZRLORXPSSNOMMT-PSWAGMNNSA-N 2 2 410.606 4.134 20 0 HIADLP Cn1cccc1[C@H]1CCCC[NH+]1CC1(C[N@@H+]2CCCC[C@H]2c2cccn2C)COC1 ZINC000541073166 939451016 /nfs/dbraw/zinc/45/10/16/939451016.db2.gz ZRLORXPSSNOMMT-PSWAGMNNSA-N 2 2 410.606 4.134 20 0 HIADLP Cn1cccc1[C@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@H]2c2cccn2C)COC1 ZINC000541073166 939451018 /nfs/dbraw/zinc/45/10/18/939451018.db2.gz ZRLORXPSSNOMMT-PSWAGMNNSA-N 2 2 410.606 4.134 20 0 HIADLP Brc1cc2c(cc1C[NH+]1CCC(CCCn3cc[nH+]c3)CC1)OCO2 ZINC000541203826 939485439 /nfs/dbraw/zinc/48/54/39/939485439.db2.gz HJUMTKBFETVVPE-UHFFFAOYSA-N 2 2 406.324 4.067 20 0 HIADLP Brc1cc2c(cc1C[NH+]1CCC(CCCn3cc[nH+]c3)CC1)OCCO2 ZINC000541203730 939485445 /nfs/dbraw/zinc/48/54/45/939485445.db2.gz CGBKBFBSXRRLCJ-UHFFFAOYSA-N 2 2 420.351 4.109 20 0 HIADLP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541252233 939487710 /nfs/dbraw/zinc/48/77/10/939487710.db2.gz ILALBKJYPPSEAG-HSZRJFAPSA-N 2 2 412.553 4.096 20 0 HIADLP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541252233 939487711 /nfs/dbraw/zinc/48/77/11/939487711.db2.gz ILALBKJYPPSEAG-HSZRJFAPSA-N 2 2 412.553 4.096 20 0 HIADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541395235 939504464 /nfs/dbraw/zinc/50/44/64/939504464.db2.gz AJDMVHMIDWEMCD-UEVCKROQSA-N 2 2 420.601 4.445 20 0 HIADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541395235 939504466 /nfs/dbraw/zinc/50/44/66/939504466.db2.gz AJDMVHMIDWEMCD-UEVCKROQSA-N 2 2 420.601 4.445 20 0 HIADLP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)ccc1F ZINC000541424059 939512304 /nfs/dbraw/zinc/51/23/04/939512304.db2.gz XOIJTICQQILIFH-LJQANCHMSA-N 2 2 412.553 4.010 20 0 HIADLP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000541600500 939564782 /nfs/dbraw/zinc/56/47/82/939564782.db2.gz JRDSQDCQQSAJFW-PFYGBQHCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000541600500 939564787 /nfs/dbraw/zinc/56/47/87/939564787.db2.gz JRDSQDCQQSAJFW-PFYGBQHCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600500 939564794 /nfs/dbraw/zinc/56/47/94/939564794.db2.gz JRDSQDCQQSAJFW-PFYGBQHCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600500 939564799 /nfs/dbraw/zinc/56/47/99/939564799.db2.gz JRDSQDCQQSAJFW-PFYGBQHCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](NC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600500 939564804 /nfs/dbraw/zinc/56/48/04/939564804.db2.gz JRDSQDCQQSAJFW-PFYGBQHCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](NC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600500 939564806 /nfs/dbraw/zinc/56/48/06/939564806.db2.gz JRDSQDCQQSAJFW-PFYGBQHCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](NC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600500 939564809 /nfs/dbraw/zinc/56/48/09/939564809.db2.gz JRDSQDCQQSAJFW-PFYGBQHCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@@H](NC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600500 939564816 /nfs/dbraw/zinc/56/48/16/939564816.db2.gz JRDSQDCQQSAJFW-PFYGBQHCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@H](CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600500 939564819 /nfs/dbraw/zinc/56/48/19/939564819.db2.gz JRDSQDCQQSAJFW-PFYGBQHCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@H](CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C[NH2+][C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541600500 939564822 /nfs/dbraw/zinc/56/48/22/939564822.db2.gz JRDSQDCQQSAJFW-PFYGBQHCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@H](CN[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541600500 939564826 /nfs/dbraw/zinc/56/48/26/939564826.db2.gz JRDSQDCQQSAJFW-PFYGBQHCSA-N 3 2 418.714 4.108 20 0 HIADLP C[C@H](CN[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541600500 939564831 /nfs/dbraw/zinc/56/48/31/939564831.db2.gz JRDSQDCQQSAJFW-PFYGBQHCSA-N 3 2 418.714 4.108 20 0 HIADLP CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000542178082 939746121 /nfs/dbraw/zinc/74/61/21/939746121.db2.gz CDWRBHUIQJWDDJ-DHIUTWEWSA-N 2 2 415.622 4.273 20 0 HIADLP CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000542178082 939746125 /nfs/dbraw/zinc/74/61/25/939746125.db2.gz CDWRBHUIQJWDDJ-DHIUTWEWSA-N 2 2 415.622 4.273 20 0 HIADLP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000542328832 939801366 /nfs/dbraw/zinc/80/13/66/939801366.db2.gz MOIAOJZNFFCTEB-UGKGYDQZSA-N 2 2 420.601 4.056 20 0 HIADLP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000542328832 939801368 /nfs/dbraw/zinc/80/13/68/939801368.db2.gz MOIAOJZNFFCTEB-UGKGYDQZSA-N 2 2 420.601 4.056 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(N[C@H](c3ccc(F)cc3)c3ccccn3)[nH+]c2)CC1 ZINC000542497448 939832899 /nfs/dbraw/zinc/83/28/99/939832899.db2.gz BFFYACAGSZTHEC-XMMPIXPASA-N 2 2 405.521 4.348 20 0 HIADLP C[C@H]([NH2+][C@@H](C(=O)NCc1ccccc1)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529072 939837710 /nfs/dbraw/zinc/83/77/10/939837710.db2.gz LUKYSPUMCNIUBJ-QUURXOELSA-N 2 2 405.586 4.287 20 0 HIADLP C[C@H]([NH2+][C@@H](C(=O)NCc1ccccc1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529072 939837712 /nfs/dbraw/zinc/83/77/12/939837712.db2.gz LUKYSPUMCNIUBJ-QUURXOELSA-N 2 2 405.586 4.287 20 0 HIADLP Clc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000542677236 939853491 /nfs/dbraw/zinc/85/34/91/939853491.db2.gz GECBQLYBKYHRCH-QFIPXVFZSA-N 2 2 400.950 4.218 20 0 HIADLP Fc1ccc(-n2nc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)c3c2CCC3)cc1 ZINC000543059985 939913531 /nfs/dbraw/zinc/91/35/31/939913531.db2.gz PHVLWDKZIWKKGZ-UHFFFAOYSA-N 2 2 407.537 4.389 20 0 HIADLP CCN(C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000543060848 939914782 /nfs/dbraw/zinc/91/47/82/939914782.db2.gz NIOUSMVAHLWBPD-IBGZPJMESA-N 2 2 400.542 4.124 20 0 HIADLP CC(C)(COc1ncccc1Br)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543241326 940005835 /nfs/dbraw/zinc/00/58/35/940005835.db2.gz AIQPOZPLFPJYTN-UHFFFAOYSA-N 2 2 407.337 4.039 20 0 HIADLP CN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000543332396 940033660 /nfs/dbraw/zinc/03/36/60/940033660.db2.gz HJGGJBDOZNISLX-GOTSBHOMSA-N 2 2 420.601 4.226 20 0 HIADLP CN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543332396 940033665 /nfs/dbraw/zinc/03/36/65/940033665.db2.gz HJGGJBDOZNISLX-GOTSBHOMSA-N 2 2 420.601 4.226 20 0 HIADLP CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393366 940050194 /nfs/dbraw/zinc/05/01/94/940050194.db2.gz BXQUABDTTSRGDJ-CLOONOSVSA-N 2 2 418.589 4.012 20 0 HIADLP CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393366 940050201 /nfs/dbraw/zinc/05/02/01/940050201.db2.gz BXQUABDTTSRGDJ-CLOONOSVSA-N 2 2 418.589 4.012 20 0 HIADLP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393366 940050204 /nfs/dbraw/zinc/05/02/04/940050204.db2.gz BXQUABDTTSRGDJ-CLOONOSVSA-N 2 2 418.589 4.012 20 0 HIADLP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000543393366 940050209 /nfs/dbraw/zinc/05/02/09/940050209.db2.gz BXQUABDTTSRGDJ-CLOONOSVSA-N 2 2 418.589 4.012 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460208 940070181 /nfs/dbraw/zinc/07/01/81/940070181.db2.gz JFWCYPXOSKLXJJ-CABCVRRESA-N 2 2 404.605 4.053 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460208 940070184 /nfs/dbraw/zinc/07/01/84/940070184.db2.gz JFWCYPXOSKLXJJ-CABCVRRESA-N 2 2 404.605 4.053 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460214 940070291 /nfs/dbraw/zinc/07/02/91/940070291.db2.gz JFWCYPXOSKLXJJ-HUUCEWRRSA-N 2 2 404.605 4.053 20 0 HIADLP C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccs2)cs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460214 940070293 /nfs/dbraw/zinc/07/02/93/940070293.db2.gz JFWCYPXOSKLXJJ-HUUCEWRRSA-N 2 2 404.605 4.053 20 0 HIADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)c1ccccc1 ZINC000543500828 940086479 /nfs/dbraw/zinc/08/64/79/940086479.db2.gz QGIWJPUGZKZKFS-QHCPKHFHSA-N 2 2 417.557 4.210 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)c2)cc[nH+]1 ZINC000543588031 940121401 /nfs/dbraw/zinc/12/14/01/940121401.db2.gz ONMWVKKREGKQQN-DENIHFKCSA-N 2 2 421.589 4.124 20 0 HIADLP Cc1nc(NCc2cccc(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)c2)cc[nH+]1 ZINC000543588031 940121410 /nfs/dbraw/zinc/12/14/10/940121410.db2.gz ONMWVKKREGKQQN-DENIHFKCSA-N 2 2 421.589 4.124 20 0 HIADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(-c2ccccc2)s1 ZINC000543600877 940127072 /nfs/dbraw/zinc/12/70/72/940127072.db2.gz RWHVOFRCPZKWDY-IBGZPJMESA-N 2 2 420.582 4.200 20 0 HIADLP COc1cc(-c2ccccc2)ccc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000543761529 940178133 /nfs/dbraw/zinc/17/81/33/940178133.db2.gz YWLGILQJNJNHMH-AREMUKBSSA-N 2 2 415.581 4.441 20 0 HIADLP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543987776 940284222 /nfs/dbraw/zinc/28/42/22/940284222.db2.gz INFUPFXDJIZPDD-ICSRJNTNSA-N 2 2 400.592 4.189 20 0 HIADLP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000544261621 940371295 /nfs/dbraw/zinc/37/12/95/940371295.db2.gz AAXBFPOYXFNMSG-UHFFFAOYSA-N 2 2 420.384 4.449 20 0 HIADLP C[C@@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000544278094 940377367 /nfs/dbraw/zinc/37/73/67/940377367.db2.gz LZJXKSJCWWLBGJ-HYBUGGRVSA-N 2 2 402.542 4.238 20 0 HIADLP C[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000544278094 940377371 /nfs/dbraw/zinc/37/73/71/940377371.db2.gz LZJXKSJCWWLBGJ-HYBUGGRVSA-N 2 2 402.542 4.238 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)CC1 ZINC000545209224 940556002 /nfs/dbraw/zinc/55/60/02/940556002.db2.gz OYRGSVFHRSBFFO-UYAOXDASSA-N 2 2 412.496 4.349 20 0 HIADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)nc[nH+]1 ZINC000545458061 940570813 /nfs/dbraw/zinc/57/08/13/940570813.db2.gz RRMLSVDLVOTCBN-RTWAWAEBSA-N 2 2 422.964 4.109 20 0 HIADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Br)c1O ZINC000545465913 940571099 /nfs/dbraw/zinc/57/10/99/940571099.db2.gz XKPRTQIPHTYDDS-YJBOKZPZSA-N 2 2 419.363 4.164 20 0 HIADLP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Br)c1O ZINC000545465913 940571100 /nfs/dbraw/zinc/57/11/00/940571100.db2.gz XKPRTQIPHTYDDS-YJBOKZPZSA-N 2 2 419.363 4.164 20 0 HIADLP CC[NH+](CC)CCOc1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cc1 ZINC000545685944 940580662 /nfs/dbraw/zinc/58/06/62/940580662.db2.gz RDAWLKABKWDTEC-UHFFFAOYSA-N 2 2 405.502 4.004 20 0 HIADLP CC(C)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000563969998 945333137 /nfs/dbraw/zinc/33/31/37/945333137.db2.gz CTZRABKVLHSSHW-HSZRJFAPSA-N 2 2 404.501 4.163 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000545916853 940657817 /nfs/dbraw/zinc/65/78/17/940657817.db2.gz TYKCRIKHLYLSLH-JKSUJKDBSA-N 2 2 400.485 4.205 20 0 HIADLP Fc1cccc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)C2)c1 ZINC000546403637 940812031 /nfs/dbraw/zinc/81/20/31/940812031.db2.gz PNFHJZIYRWUILB-IBGZPJMESA-N 2 2 403.461 4.441 20 0 HIADLP Fc1cccc(C[N@H+]2CCC[C@H](c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)C2)c1 ZINC000546403637 940812033 /nfs/dbraw/zinc/81/20/33/940812033.db2.gz PNFHJZIYRWUILB-IBGZPJMESA-N 2 2 403.461 4.441 20 0 HIADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000548931862 941130550 /nfs/dbraw/zinc/13/05/50/941130550.db2.gz FEFCJXQQCKUTMW-JOCHJYFZSA-N 2 2 409.599 4.016 20 0 HIADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCSc2ccccc21 ZINC000548931862 941130551 /nfs/dbraw/zinc/13/05/51/941130551.db2.gz FEFCJXQQCKUTMW-JOCHJYFZSA-N 2 2 409.599 4.016 20 0 HIADLP CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000549007645 941142260 /nfs/dbraw/zinc/14/22/60/941142260.db2.gz UDSMBSBNQBNIOZ-ZYQDXHPFSA-N 2 2 411.634 4.148 20 0 HIADLP CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000549007645 941142264 /nfs/dbraw/zinc/14/22/64/941142264.db2.gz UDSMBSBNQBNIOZ-ZYQDXHPFSA-N 2 2 411.634 4.148 20 0 HIADLP C[NH+](C)C1CCN(c2ccc(NCc3c(F)cccc3OC(F)(F)F)[nH+]c2)CC1 ZINC000551073333 941404904 /nfs/dbraw/zinc/40/49/04/941404904.db2.gz LEMYAUFRGCKBQY-UHFFFAOYSA-N 2 2 412.431 4.262 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@@H]1c1ccccc1 ZINC000551085983 941406691 /nfs/dbraw/zinc/40/66/91/941406691.db2.gz KIUCIIQFJRUJHD-QKNQBKEWSA-N 2 2 417.475 4.236 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)C[C@@H]1c1ccccc1 ZINC000551085983 941406696 /nfs/dbraw/zinc/40/66/96/941406696.db2.gz KIUCIIQFJRUJHD-QKNQBKEWSA-N 2 2 417.475 4.236 20 0 HIADLP Fc1cc([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000551440372 941479685 /nfs/dbraw/zinc/47/96/85/941479685.db2.gz BLRUZUZNJRFPTD-PTUXOGIPSA-N 2 2 418.940 4.190 20 0 HIADLP Fc1cc([C@@H]2OCC[C@H]2[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000551440372 941479690 /nfs/dbraw/zinc/47/96/90/941479690.db2.gz BLRUZUZNJRFPTD-PTUXOGIPSA-N 2 2 418.940 4.190 20 0 HIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc2c(ccc3ccccc23)o1 ZINC000552099526 941584845 /nfs/dbraw/zinc/58/48/45/941584845.db2.gz LNLYMFDQXZSRAE-OHSMVPPVSA-N 2 2 405.542 4.320 20 0 HIADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc2c(ccc3ccccc23)o1 ZINC000552099526 941584847 /nfs/dbraw/zinc/58/48/47/941584847.db2.gz LNLYMFDQXZSRAE-OHSMVPPVSA-N 2 2 405.542 4.320 20 0 HIADLP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000552931507 941805386 /nfs/dbraw/zinc/80/53/86/941805386.db2.gz PKIPXQWQRWCZMD-WMZOPIPTSA-N 2 2 403.448 4.393 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(Cl)cc1 ZINC000553027004 941819597 /nfs/dbraw/zinc/81/95/97/941819597.db2.gz LEYGOZOGBCFQSB-UTKZUKDTSA-N 2 2 416.997 4.491 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)c1ccc(Cl)cc1 ZINC000553027004 941819601 /nfs/dbraw/zinc/81/96/01/941819601.db2.gz LEYGOZOGBCFQSB-UTKZUKDTSA-N 2 2 416.997 4.491 20 0 HIADLP CCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(Cl)cc1 ZINC000553027004 941819602 /nfs/dbraw/zinc/81/96/02/941819602.db2.gz LEYGOZOGBCFQSB-UTKZUKDTSA-N 2 2 416.997 4.491 20 0 HIADLP CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)c1ccc(Cl)cc1 ZINC000553027004 941819605 /nfs/dbraw/zinc/81/96/05/941819605.db2.gz LEYGOZOGBCFQSB-UTKZUKDTSA-N 2 2 416.997 4.491 20 0 HIADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000553359119 941872608 /nfs/dbraw/zinc/87/26/08/941872608.db2.gz UXDPFMRLPMDGOF-YLJYHZDGSA-N 2 2 421.614 4.483 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000554961100 942334699 /nfs/dbraw/zinc/33/46/99/942334699.db2.gz SHLQOFJWVPDPFP-JMJGKCIBSA-N 2 2 423.626 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000554961100 942334706 /nfs/dbraw/zinc/33/47/06/942334706.db2.gz SHLQOFJWVPDPFP-JMJGKCIBSA-N 2 2 423.626 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000554961100 942334710 /nfs/dbraw/zinc/33/47/10/942334710.db2.gz SHLQOFJWVPDPFP-JMJGKCIBSA-N 2 2 423.626 4.254 20 0 HIADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000554961100 942334718 /nfs/dbraw/zinc/33/47/18/942334718.db2.gz SHLQOFJWVPDPFP-JMJGKCIBSA-N 2 2 423.626 4.254 20 0 HIADLP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000555510700 942614642 /nfs/dbraw/zinc/61/46/42/942614642.db2.gz WHAJEPGWKWIORR-JVSAHFFESA-N 2 2 418.025 4.239 20 0 HIADLP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000555510700 942614652 /nfs/dbraw/zinc/61/46/52/942614652.db2.gz WHAJEPGWKWIORR-JVSAHFFESA-N 2 2 418.025 4.239 20 0 HIADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000555713529 942710415 /nfs/dbraw/zinc/71/04/15/942710415.db2.gz WUFIVMXXRWGJNZ-IPJJNNNSSA-N 2 2 400.588 4.184 20 0 HIADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000555713529 942710420 /nfs/dbraw/zinc/71/04/20/942710420.db2.gz WUFIVMXXRWGJNZ-IPJJNNNSSA-N 2 2 400.588 4.184 20 0 HIADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)COc1ccc(-c2ccccc2)cc1 ZINC000557221690 943055658 /nfs/dbraw/zinc/05/56/58/943055658.db2.gz UACHIKLUIVNSHS-QFIPXVFZSA-N 2 2 417.484 4.208 20 0 HIADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](COC)c2cccc(Cl)c2F)CC1 ZINC000558225899 943445577 /nfs/dbraw/zinc/44/55/77/943445577.db2.gz KYJJSYXEKFVQQP-QFIPXVFZSA-N 2 2 419.972 4.094 20 0 HIADLP Cc1ccc(CCC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000558422180 943555917 /nfs/dbraw/zinc/55/59/17/943555917.db2.gz OWSOEMKTAGTJAH-UHFFFAOYSA-N 2 2 403.324 4.077 20 0 HIADLP Cc1ccc(CCC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000558422180 943555920 /nfs/dbraw/zinc/55/59/20/943555920.db2.gz OWSOEMKTAGTJAH-UHFFFAOYSA-N 2 2 403.324 4.077 20 0 HIADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000559617950 944018183 /nfs/dbraw/zinc/01/81/83/944018183.db2.gz COPHAEFEEMOEGV-UXHICEINSA-N 2 2 400.885 4.081 20 0 HIADLP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000559617950 944018194 /nfs/dbraw/zinc/01/81/94/944018194.db2.gz COPHAEFEEMOEGV-UXHICEINSA-N 2 2 400.885 4.081 20 0 HIADLP c1csc([C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)c2nnc[nH]2)c1 ZINC000559766574 944046840 /nfs/dbraw/zinc/04/68/40/944046840.db2.gz GDIJIXOJJJUZCY-QFIPXVFZSA-N 2 2 409.603 4.280 20 0 HIADLP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccccc2Br)C[C@H]1c1ccccc1 ZINC000559829976 944063413 /nfs/dbraw/zinc/06/34/13/944063413.db2.gz AFHPUPCXMQRHSI-WMQCIHAUSA-N 2 2 403.364 4.298 20 0 HIADLP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)c2ccccc2Br)C[C@H]1c1ccccc1 ZINC000559829976 944063421 /nfs/dbraw/zinc/06/34/21/944063421.db2.gz AFHPUPCXMQRHSI-WMQCIHAUSA-N 2 2 403.364 4.298 20 0 HIADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561155226 944484720 /nfs/dbraw/zinc/48/47/20/944484720.db2.gz GUQODTSWVOJLDT-HYBUGGRVSA-N 2 2 416.569 4.480 20 0 HIADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000561155226 944484724 /nfs/dbraw/zinc/48/47/24/944484724.db2.gz GUQODTSWVOJLDT-HYBUGGRVSA-N 2 2 416.569 4.480 20 0 HIADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCOc3c(-c4ccccc4)cccc32)CC1 ZINC000561263510 944532779 /nfs/dbraw/zinc/53/27/79/944532779.db2.gz XDLPVJBXOSZEET-QHCPKHFHSA-N 2 2 408.542 4.184 20 0 HIADLP CCc1ccc([C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[NH+](CC)CC)cc1 ZINC000562181965 945006266 /nfs/dbraw/zinc/00/62/66/945006266.db2.gz WGUMGFIFBLYMOW-XMMPIXPASA-N 2 2 404.558 4.307 20 0 HIADLP c1cc(-c2ncc(C[NH+]3CCN([C@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)s2)cs1 ZINC000564498193 945627875 /nfs/dbraw/zinc/62/78/75/945627875.db2.gz SKXDZRALVLNNSR-NRFANRHFSA-N 2 2 424.639 4.264 20 0 HIADLP c1cc(-c2ncc(C[NH+]3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)s2)cs1 ZINC000564498193 945627897 /nfs/dbraw/zinc/62/78/97/945627897.db2.gz SKXDZRALVLNNSR-NRFANRHFSA-N 2 2 424.639 4.264 20 0 HIADLP C[NH+](C)C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ccc(F)cc1 ZINC000566523312 946029857 /nfs/dbraw/zinc/02/98/57/946029857.db2.gz NJSDCAXDNIDFBC-UGKGYDQZSA-N 2 2 412.553 4.051 20 0 HIADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000567130887 946246415 /nfs/dbraw/zinc/24/64/15/946246415.db2.gz AGWLYCZBFOXCHQ-NXEWRWPSSA-N 2 2 411.512 4.220 20 0 HIADLP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(C(F)(F)F)c1 ZINC000567130887 946246426 /nfs/dbraw/zinc/24/64/26/946246426.db2.gz AGWLYCZBFOXCHQ-NXEWRWPSSA-N 2 2 411.512 4.220 20 0 HIADLP CC(C)Cc1ccc([C@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)[NH+](C)C)cc1 ZINC000567656920 946395742 /nfs/dbraw/zinc/39/57/42/946395742.db2.gz VYDWDRIQLJNEBV-VWLOTQADSA-N 2 2 418.585 4.092 20 0 HIADLP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(Oc5ccccc5)nn4)C[C@H]3C2)cc1 ZINC000568970745 946786057 /nfs/dbraw/zinc/78/60/57/946786057.db2.gz DVKLMEDENNQERC-FGZHOGPDSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(Oc5ccccc5)nn4)C[C@H]3C2)cc1 ZINC000568970745 946786084 /nfs/dbraw/zinc/78/60/84/946786084.db2.gz DVKLMEDENNQERC-FGZHOGPDSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(Oc5ccccc5)nn4)C[C@H]3C2)cc1 ZINC000568970745 946786094 /nfs/dbraw/zinc/78/60/94/946786094.db2.gz DVKLMEDENNQERC-FGZHOGPDSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(Oc5ccccc5)nn4)C[C@H]3C2)cc1 ZINC000568970745 946786123 /nfs/dbraw/zinc/78/61/23/946786123.db2.gz DVKLMEDENNQERC-FGZHOGPDSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(Oc5ccccc5)nn4)C[C@@H]3C2)cc1 ZINC000568970747 946787150 /nfs/dbraw/zinc/78/71/50/946787150.db2.gz DVKLMEDENNQERC-YADHBBJMSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(Oc5ccccc5)nn4)C[C@@H]3C2)cc1 ZINC000568970747 946787157 /nfs/dbraw/zinc/78/71/57/946787157.db2.gz DVKLMEDENNQERC-YADHBBJMSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(Oc5ccccc5)nn4)C[C@@H]3C2)cc1 ZINC000568970747 946787176 /nfs/dbraw/zinc/78/71/76/946787176.db2.gz DVKLMEDENNQERC-YADHBBJMSA-N 2 2 400.526 4.223 20 0 HIADLP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(Oc5ccccc5)nn4)C[C@@H]3C2)cc1 ZINC000568970747 946787189 /nfs/dbraw/zinc/78/71/89/946787189.db2.gz DVKLMEDENNQERC-YADHBBJMSA-N 2 2 400.526 4.223 20 0 HIADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000571434363 947646287 /nfs/dbraw/zinc/64/62/87/947646287.db2.gz RVNPFOSDFVZTKU-UHFFFAOYSA-N 2 2 412.496 4.276 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323309 947884276 /nfs/dbraw/zinc/88/42/76/947884276.db2.gz BCWUKGFAIKJNJV-WOJBJXKFSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323309 947884277 /nfs/dbraw/zinc/88/42/77/947884277.db2.gz BCWUKGFAIKJNJV-WOJBJXKFSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323309 947884280 /nfs/dbraw/zinc/88/42/80/947884280.db2.gz BCWUKGFAIKJNJV-WOJBJXKFSA-N 2 2 411.615 4.178 20 0 HIADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N3CCCc4ccccc43)C2)s1 ZINC000572323309 947884284 /nfs/dbraw/zinc/88/42/84/947884284.db2.gz BCWUKGFAIKJNJV-WOJBJXKFSA-N 2 2 411.615 4.178 20 0 HIADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc3ccc(C)cn23)cc1 ZINC000573407139 948191796 /nfs/dbraw/zinc/19/17/96/948191796.db2.gz FRZYCXIGONPGEL-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc3ccc(C)cn23)cc1 ZINC000573407139 948191813 /nfs/dbraw/zinc/19/18/13/948191813.db2.gz FRZYCXIGONPGEL-UHFFFAOYSA-N 2 2 403.530 4.330 20 0 HIADLP C[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574123070 948372766 /nfs/dbraw/zinc/37/27/66/948372766.db2.gz ITTFKSATFWYYFW-WMZOPIPTSA-N 2 2 413.363 4.097 20 0 HIADLP C[C@H]([NH2+]Cc1cn2ccc(Br)cc2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574123070 948372776 /nfs/dbraw/zinc/37/27/76/948372776.db2.gz ITTFKSATFWYYFW-WMZOPIPTSA-N 2 2 413.363 4.097 20 0 HIADLP