smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1c(Br)cc(C[NH2+]CC[NH2+]CCO)cc1Br ZINC000020477682 531583030 /nfs/dbraw/zinc/58/30/30/531583030.db2.gz BPEFCNIDUZUCNS-UHFFFAOYSA-N 2 2 396.123 2.282 50 0 GEAALP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000004746161 204073421 /nfs/dbraw/zinc/07/34/21/204073421.db2.gz JBWHRAYEOHUJDU-INIZCTEOSA-N 2 2 380.330 2.435 50 0 GEAALP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000004746161 204073425 /nfs/dbraw/zinc/07/34/25/204073425.db2.gz JBWHRAYEOHUJDU-INIZCTEOSA-N 2 2 380.330 2.435 50 0 GEAALP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000011753938 204352143 /nfs/dbraw/zinc/35/21/43/204352143.db2.gz LKTKEDWDVDXKIT-INIZCTEOSA-N 2 2 381.952 2.148 50 0 GEAALP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000011753938 204352146 /nfs/dbraw/zinc/35/21/46/204352146.db2.gz LKTKEDWDVDXKIT-INIZCTEOSA-N 2 2 381.952 2.148 50 0 GEAALP COc1cc(C[N@H+](C)CCn2cc[nH+]c2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012317156 204394983 /nfs/dbraw/zinc/39/49/83/204394983.db2.gz GAVBEHUEPLDGHT-LJQANCHMSA-N 3 2 390.528 2.104 50 0 GEAALP COc1cc(C[N@@H+](C)CCn2cc[nH+]c2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012317156 204394987 /nfs/dbraw/zinc/39/49/87/204394987.db2.gz GAVBEHUEPLDGHT-LJQANCHMSA-N 3 2 390.528 2.104 50 0 GEAALP COc1cc(C[NH+](C)CCn2cc[nH+]c2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012317156 204394992 /nfs/dbraw/zinc/39/49/92/204394992.db2.gz GAVBEHUEPLDGHT-LJQANCHMSA-N 3 2 390.528 2.104 50 0 GEAALP COc1cc(C[NH+](C)CCn2cc[nH+]c2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012317156 204394994 /nfs/dbraw/zinc/39/49/94/204394994.db2.gz GAVBEHUEPLDGHT-LJQANCHMSA-N 3 2 390.528 2.104 50 0 GEAALP CCOC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000058441183 205176315 /nfs/dbraw/zinc/17/63/15/205176315.db2.gz WBTFWQUUBCFYDB-YLJYHZDGSA-N 2 2 387.524 2.041 50 0 GEAALP CCOC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000058441183 205176319 /nfs/dbraw/zinc/17/63/19/205176319.db2.gz WBTFWQUUBCFYDB-YLJYHZDGSA-N 2 2 387.524 2.041 50 0 GEAALP CCCNc1cc(N2CCC(CCC(=O)N3CC[NH+](CC)CC3)CC2)nc[nH+]1 ZINC000065274092 205225788 /nfs/dbraw/zinc/22/57/88/205225788.db2.gz DXVVQDSSOGMBBQ-UHFFFAOYSA-N 2 2 388.560 2.459 50 0 GEAALP CCCNc1cc(N2CCC(CCC(=O)N3CC[NH+](CC)CC3)CC2)[nH+]cn1 ZINC000065274092 205225793 /nfs/dbraw/zinc/22/57/93/205225793.db2.gz DXVVQDSSOGMBBQ-UHFFFAOYSA-N 2 2 388.560 2.459 50 0 GEAALP C[NH+](C)CCNC(=O)c1cc2n(n1)CCCN(c1[nH+]ccc3ccccc31)C2 ZINC000065370682 205232288 /nfs/dbraw/zinc/23/22/88/205232288.db2.gz OFPPMWYMLQRMOH-UHFFFAOYSA-N 2 2 378.480 2.133 50 0 GEAALP CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)nc1 ZINC000067642717 205251933 /nfs/dbraw/zinc/25/19/33/205251933.db2.gz TUCMASXXCIWBFE-LJQANCHMSA-N 2 2 388.556 2.083 50 0 GEAALP CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)nc1 ZINC000067642717 205251938 /nfs/dbraw/zinc/25/19/38/205251938.db2.gz TUCMASXXCIWBFE-LJQANCHMSA-N 2 2 388.556 2.083 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC000067982019 205270115 /nfs/dbraw/zinc/27/01/15/205270115.db2.gz RSBOTAUZEOTFHG-LJQANCHMSA-N 2 2 389.540 2.134 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC000067982019 205270120 /nfs/dbraw/zinc/27/01/20/205270120.db2.gz RSBOTAUZEOTFHG-LJQANCHMSA-N 2 2 389.540 2.134 50 0 GEAALP CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)o1 ZINC000067982636 205270313 /nfs/dbraw/zinc/27/03/13/205270313.db2.gz URTWBVGMOMUJOR-KRWDZBQOSA-N 2 2 377.529 2.281 50 0 GEAALP CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)o1 ZINC000067982636 205270317 /nfs/dbraw/zinc/27/03/17/205270317.db2.gz URTWBVGMOMUJOR-KRWDZBQOSA-N 2 2 377.529 2.281 50 0 GEAALP O=C(CC[NH+]1CCCCC1)N1CC[N@H+](Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000072432239 205351540 /nfs/dbraw/zinc/35/15/40/205351540.db2.gz ULCGUGCVYVZAOG-FQEVSTJZSA-N 2 2 377.504 2.097 50 0 GEAALP O=C(CC[NH+]1CCCCC1)N1CC[N@@H+](Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000072432239 205351545 /nfs/dbraw/zinc/35/15/45/205351545.db2.gz ULCGUGCVYVZAOG-FQEVSTJZSA-N 2 2 377.504 2.097 50 0 GEAALP C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000241124162 206125873 /nfs/dbraw/zinc/12/58/73/206125873.db2.gz JGALRWMSKAQAMQ-OPYAIIAOSA-N 2 2 388.531 2.421 50 0 GEAALP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000248027485 206136907 /nfs/dbraw/zinc/13/69/07/206136907.db2.gz MPGQLSBYNACEIY-GOSISDBHSA-N 2 2 383.540 2.338 50 0 GEAALP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000248027485 206136913 /nfs/dbraw/zinc/13/69/13/206136913.db2.gz MPGQLSBYNACEIY-GOSISDBHSA-N 2 2 383.540 2.338 50 0 GEAALP C[NH2+]N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)CC1 ZINC000261492696 206182721 /nfs/dbraw/zinc/18/27/21/206182721.db2.gz MVVGJORCLBEPEF-UHFFFAOYSA-N 2 2 398.555 2.108 50 0 GEAALP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000072308419 136168108 /nfs/dbraw/zinc/16/81/08/136168108.db2.gz AQXKZGVPGWOFCX-SFHVURJKSA-N 2 2 388.556 2.196 50 0 GEAALP O[C@H]1CCCN(c2cc[nH+]c(N3CCC(c4[nH+]ccn4CC4CC4)CC3)n2)C1 ZINC000095525230 136181397 /nfs/dbraw/zinc/18/13/97/136181397.db2.gz LPIDFQXEPFHDDT-SFHVURJKSA-N 2 2 382.512 2.428 50 0 GEAALP CCCc1cnc(C)nc1N1CCC([NH2+]CC[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000095497891 535437371 /nfs/dbraw/zinc/43/73/71/535437371.db2.gz IEUHVWPWPSQOME-SFHVURJKSA-N 2 2 375.561 2.000 50 0 GEAALP CCCc1cnc(C)nc1N1CCC([NH2+]CC[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000095497891 535437375 /nfs/dbraw/zinc/43/73/75/535437375.db2.gz IEUHVWPWPSQOME-SFHVURJKSA-N 2 2 375.561 2.000 50 0 GEAALP Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@@H](O)CN2CC[NH+](C)CC2)[C@H]3CCC1 ZINC000019940198 570232828 /nfs/dbraw/zinc/23/28/28/570232828.db2.gz ZJUNKOUVYZCWIZ-AVRDEDQJSA-N 2 2 382.552 2.251 50 0 GEAALP Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@@H](O)CN2CC[NH+](C)CC2)[C@H]3CCC1 ZINC000019940198 570232830 /nfs/dbraw/zinc/23/28/30/570232830.db2.gz ZJUNKOUVYZCWIZ-AVRDEDQJSA-N 2 2 382.552 2.251 50 0 GEAALP CCOc1ccc(C[N@@H+]2CCc3nc(N4CC[NH+](C)CC4)ncc3C2)cc1OC ZINC000015779362 570243816 /nfs/dbraw/zinc/24/38/16/570243816.db2.gz FHYUCVALEHTURJ-UHFFFAOYSA-N 2 2 397.523 2.194 50 0 GEAALP CCOc1ccc(C[N@H+]2CCc3nc(N4CC[NH+](C)CC4)ncc3C2)cc1OC ZINC000015779362 570243818 /nfs/dbraw/zinc/24/38/18/570243818.db2.gz FHYUCVALEHTURJ-UHFFFAOYSA-N 2 2 397.523 2.194 50 0 GEAALP CC[NH+]1CCN(C(=O)CCC2CC[NH+](Cc3cnc(SC)nc3)CC2)CC1 ZINC000020204206 570247403 /nfs/dbraw/zinc/24/74/03/570247403.db2.gz NQEZELQELBZHDX-UHFFFAOYSA-N 2 2 391.585 2.355 50 0 GEAALP O=C(Cc1c[nH+]c[nH]1)N1CCC2(CC[NH+](CC3CCCCC3)CC2)[C@H](CO)C1 ZINC000097655500 570248483 /nfs/dbraw/zinc/24/84/83/570248483.db2.gz QUHSYRXMYQWBSN-IBGZPJMESA-N 2 2 388.556 2.456 50 0 GEAALP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cc(=O)n4nc[nH]c4n3)CC2)C1 ZINC000102029754 570286766 /nfs/dbraw/zinc/28/67/66/570286766.db2.gz HYJHPOPCJBXVKQ-SFHVURJKSA-N 2 2 392.507 2.119 50 0 GEAALP C[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3cc(=O)n4nc[nH]c4n3)CC2)C1 ZINC000102029754 570286770 /nfs/dbraw/zinc/28/67/70/570286770.db2.gz HYJHPOPCJBXVKQ-SFHVURJKSA-N 2 2 392.507 2.119 50 0 GEAALP COc1cccc(C[NH+]2CCN(c3nc(C[NH+]4CCCCC4)cc(=O)[nH]3)CC2)c1 ZINC000035925351 570479673 /nfs/dbraw/zinc/47/96/73/570479673.db2.gz VDQKIOLRJNMMQM-UHFFFAOYSA-N 2 2 397.523 2.087 50 0 GEAALP CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N(C)C[C@@H]2CCCC[N@@H+]2C)nc1 ZINC000015069519 570876768 /nfs/dbraw/zinc/87/67/68/570876768.db2.gz SLAHACRLPPTJQI-SFHVURJKSA-N 2 2 384.528 2.398 50 0 GEAALP CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N(C)C[C@@H]2CCCC[N@H+]2C)nc1 ZINC000015069519 570876773 /nfs/dbraw/zinc/87/67/73/570876773.db2.gz SLAHACRLPPTJQI-SFHVURJKSA-N 2 2 384.528 2.398 50 0 GEAALP COc1ccccc1N1CC[NH+](Cn2c3ccccc3[nH+]c2NCCO)CC1 ZINC000015982301 570910817 /nfs/dbraw/zinc/91/08/17/570910817.db2.gz MCIKLLYLGSPTNV-UHFFFAOYSA-N 2 2 381.480 2.229 50 0 GEAALP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2n2cc[nH+]c2)cc1 ZINC000079023515 570911491 /nfs/dbraw/zinc/91/14/91/570911491.db2.gz RMLNJGNQLVQMIS-MOPGFXCFSA-N 2 2 399.495 2.062 50 0 GEAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cn(C)nc2-c2cccnc2)nc[nH+]1 ZINC000109069952 570996078 /nfs/dbraw/zinc/99/60/78/570996078.db2.gz JMBLBTKBORCHKJ-KRWDZBQOSA-N 2 2 378.484 2.072 50 0 GEAALP Nc1ncccc1C[NH+]1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091526358 571012481 /nfs/dbraw/zinc/01/24/81/571012481.db2.gz BRJJIFIVFRBVFA-UHFFFAOYSA-N 2 2 382.512 2.155 50 0 GEAALP CCn1nc(CC(C)C)cc1C(=O)N1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000091651008 571023287 /nfs/dbraw/zinc/02/32/87/571023287.db2.gz BTBHJURFWMQOEV-SFHVURJKSA-N 2 2 375.561 2.201 50 0 GEAALP CCn1nc(CC(C)C)cc1C(=O)N1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000091651008 571023290 /nfs/dbraw/zinc/02/32/90/571023290.db2.gz BTBHJURFWMQOEV-SFHVURJKSA-N 2 2 375.561 2.201 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000095387400 571070826 /nfs/dbraw/zinc/07/08/26/571070826.db2.gz KJRPGLNLAOACJQ-HNNXBMFYSA-N 2 2 376.468 2.316 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000095387400 571070828 /nfs/dbraw/zinc/07/08/28/571070828.db2.gz KJRPGLNLAOACJQ-HNNXBMFYSA-N 2 2 376.468 2.316 50 0 GEAALP C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000095390503 571072131 /nfs/dbraw/zinc/07/21/31/571072131.db2.gz COAVDHAXNUFTND-JOCHJYFZSA-N 2 2 379.504 2.266 50 0 GEAALP C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000095390503 571072135 /nfs/dbraw/zinc/07/21/35/571072135.db2.gz COAVDHAXNUFTND-JOCHJYFZSA-N 2 2 379.504 2.266 50 0 GEAALP COc1ccc(C[N@H+](C)CC(C)(C)C)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095499476 571075326 /nfs/dbraw/zinc/07/53/26/571075326.db2.gz JVOIGOKLEWRWBA-IBGZPJMESA-N 2 2 393.572 2.160 50 0 GEAALP COc1ccc(C[N@@H+](C)CC(C)(C)C)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095499476 571075327 /nfs/dbraw/zinc/07/53/27/571075327.db2.gz JVOIGOKLEWRWBA-IBGZPJMESA-N 2 2 393.572 2.160 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1OC ZINC000095505160 571077881 /nfs/dbraw/zinc/07/78/81/571077881.db2.gz SNXVTLCTHPUWEY-SFHVURJKSA-N 2 2 380.529 2.388 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1OC ZINC000095505160 571077882 /nfs/dbraw/zinc/07/78/82/571077882.db2.gz SNXVTLCTHPUWEY-SFHVURJKSA-N 2 2 380.529 2.388 50 0 GEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000095505715 571078510 /nfs/dbraw/zinc/07/85/10/571078510.db2.gz GNTYSGBSOKTMJS-INIZCTEOSA-N 2 2 384.528 2.457 50 0 GEAALP C[NH+](C)CCC[N@H+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000012472163 642372864 /nfs/dbraw/zinc/37/28/64/642372864.db2.gz HMLZTBHXLIWHJE-ZDUSSCGKSA-N 2 2 379.979 2.438 50 0 GEAALP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000012472163 642372866 /nfs/dbraw/zinc/37/28/66/642372866.db2.gz HMLZTBHXLIWHJE-ZDUSSCGKSA-N 2 2 379.979 2.438 50 0 GEAALP OC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000656260062 532611453 /nfs/dbraw/zinc/61/14/53/532611453.db2.gz IJCOJZDBFCVREH-YOEHRIQHSA-N 2 2 387.293 2.465 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OC ZINC000011935227 204362289 /nfs/dbraw/zinc/36/22/89/204362289.db2.gz ZDAOZYQYNBDRKH-IBGZPJMESA-N 3 2 390.528 2.153 50 0 GEAALP c1nc2ncnc(N3CC[NH+](C4CC[NH+](Cc5ccccc5)CC4)CC3)c2[nH]1 ZINC000067850375 205264107 /nfs/dbraw/zinc/26/41/07/205264107.db2.gz HCFLRPQUXWWVAG-UHFFFAOYSA-N 2 2 377.496 2.140 50 0 GEAALP CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)o1 ZINC000067982637 205270071 /nfs/dbraw/zinc/27/00/71/205270071.db2.gz URTWBVGMOMUJOR-QGZVFWFLSA-N 2 2 377.529 2.281 50 0 GEAALP CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)o1 ZINC000067982637 205270077 /nfs/dbraw/zinc/27/00/77/205270077.db2.gz URTWBVGMOMUJOR-QGZVFWFLSA-N 2 2 377.529 2.281 50 0 GEAALP CCC(CC)C(=O)N1CCC2(CC1)CN(Cc1[nH+]ccn1CC)CC[N@@H+]2C ZINC000067447402 205247520 /nfs/dbraw/zinc/24/75/20/205247520.db2.gz IYHFBCLFRKUXHC-UHFFFAOYSA-N 2 2 375.561 2.448 50 0 GEAALP CCC(CC)C(=O)N1CCC2(CC1)CN(Cc1[nH+]ccn1CC)CC[N@H+]2C ZINC000067447402 205247525 /nfs/dbraw/zinc/24/75/25/205247525.db2.gz IYHFBCLFRKUXHC-UHFFFAOYSA-N 2 2 375.561 2.448 50 0 GEAALP COCC(C)(C)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071758784 205293115 /nfs/dbraw/zinc/29/31/15/205293115.db2.gz JJCDLGZRFVMPGM-IBGZPJMESA-N 2 2 388.556 2.299 50 0 GEAALP COCC(C)(C)NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071758784 205293119 /nfs/dbraw/zinc/29/31/19/205293119.db2.gz JJCDLGZRFVMPGM-IBGZPJMESA-N 2 2 388.556 2.299 50 0 GEAALP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000078931625 205377041 /nfs/dbraw/zinc/37/70/41/205377041.db2.gz DUGPMRZUIXMKKT-ZDUSSCGKSA-N 2 2 384.318 2.477 50 0 GEAALP Cc1c[nH]c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)[nH+]1 ZINC000082109594 205387071 /nfs/dbraw/zinc/38/70/71/205387071.db2.gz JQPMBICPRLRGBG-LJQANCHMSA-N 2 2 396.539 2.106 50 0 GEAALP Cc1c[nH]c(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)[nH+]1 ZINC000082109594 205387076 /nfs/dbraw/zinc/38/70/76/205387076.db2.gz JQPMBICPRLRGBG-LJQANCHMSA-N 2 2 396.539 2.106 50 0 GEAALP COc1cc(C[N@@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]2CCO)cc(OC)c1 ZINC000106975554 136196938 /nfs/dbraw/zinc/19/69/38/136196938.db2.gz OKVMCQZGWYCAQJ-MRXNPFEDSA-N 2 2 397.479 2.048 50 0 GEAALP COc1cc(C[N@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]2CCO)cc(OC)c1 ZINC000106975554 136196939 /nfs/dbraw/zinc/19/69/39/136196939.db2.gz OKVMCQZGWYCAQJ-MRXNPFEDSA-N 2 2 397.479 2.048 50 0 GEAALP CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1CCC[N@@H+]1CCNC(=O)C1 ZINC000065397535 222128678 /nfs/dbraw/zinc/12/86/78/222128678.db2.gz MDGCQYPHXVLXTH-UHFFFAOYSA-N 2 2 378.480 2.255 50 0 GEAALP CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1CCC[N@H+]1CCNC(=O)C1 ZINC000065397535 222128683 /nfs/dbraw/zinc/12/86/83/222128683.db2.gz MDGCQYPHXVLXTH-UHFFFAOYSA-N 2 2 378.480 2.255 50 0 GEAALP CCCc1cc(N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)nc(C)[nH+]1 ZINC000095364512 535397649 /nfs/dbraw/zinc/39/76/49/535397649.db2.gz UJFSSBHBVATLSN-MRXNPFEDSA-N 2 2 380.500 2.495 50 0 GEAALP CCCc1cc(N2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)nc(C)[nH+]1 ZINC000095364511 535398345 /nfs/dbraw/zinc/39/83/45/535398345.db2.gz UJFSSBHBVATLSN-INIZCTEOSA-N 2 2 380.500 2.495 50 0 GEAALP CCc1c(C)[nH+]c(C)nc1N1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095380546 536070321 /nfs/dbraw/zinc/07/03/21/536070321.db2.gz HSPFZTVBZRSQME-INIZCTEOSA-N 2 2 380.500 2.413 50 0 GEAALP CCn1cncc1C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000096151242 570215426 /nfs/dbraw/zinc/21/54/26/570215426.db2.gz YZKMDXYWIJFVIT-UHFFFAOYSA-N 2 2 380.500 2.454 50 0 GEAALP Nc1cc(N)[nH+]c(SCc2ccccc2CSc2nc(N)cc(N)[nH+]2)n1 ZINC000020495167 570264155 /nfs/dbraw/zinc/26/41/55/570264155.db2.gz ROOSBJRGSCWXAJ-UHFFFAOYSA-N 2 2 386.510 2.180 50 0 GEAALP Cc1c(C)n(CC[NH+]2CCOCC2)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000020573635 570268812 /nfs/dbraw/zinc/26/88/12/570268812.db2.gz UHQOGZVMFMFWOQ-UHFFFAOYSA-N 3 2 383.500 2.079 50 0 GEAALP COCc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)o1 ZINC000023359117 570356342 /nfs/dbraw/zinc/35/63/42/570356342.db2.gz ZZIQYPDMMUOFIA-IBGZPJMESA-N 2 2 379.545 2.167 50 0 GEAALP COCc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)o1 ZINC000023359117 570356344 /nfs/dbraw/zinc/35/63/44/570356344.db2.gz ZZIQYPDMMUOFIA-IBGZPJMESA-N 2 2 379.545 2.167 50 0 GEAALP CCn1cc[nH+]c1CN(C)C(=O)[C@H]1C[NH2+]C[C@@H](C(=O)Nc2ccc(C)cc2)C1 ZINC000091745671 571029008 /nfs/dbraw/zinc/02/90/08/571029008.db2.gz CCRRFCJQHZNUAQ-DLBZAZTESA-N 2 2 383.496 2.034 50 0 GEAALP COCC[N@@H+]1C[C@H]2CC[C@@H]1C[NH+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000095365484 571058090 /nfs/dbraw/zinc/05/80/90/571058090.db2.gz AZESBBYTKCHQAB-FUHWJXTLSA-N 2 2 379.932 2.389 50 0 GEAALP COCC[N@H+]1C[C@H]2CC[C@@H]1C[NH+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000095365484 571058091 /nfs/dbraw/zinc/05/80/91/571058091.db2.gz AZESBBYTKCHQAB-FUHWJXTLSA-N 2 2 379.932 2.389 50 0 GEAALP COCC[NH+]1C[C@H]2CC[C@@H]1C[N@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000095365484 571058094 /nfs/dbraw/zinc/05/80/94/571058094.db2.gz AZESBBYTKCHQAB-FUHWJXTLSA-N 2 2 379.932 2.389 50 0 GEAALP COCC[NH+]1C[C@H]2CC[C@@H]1C[N@@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000095365484 571058095 /nfs/dbraw/zinc/05/80/95/571058095.db2.gz AZESBBYTKCHQAB-FUHWJXTLSA-N 2 2 379.932 2.389 50 0 GEAALP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2CCCO)CC1 ZINC000095366180 571058392 /nfs/dbraw/zinc/05/83/92/571058392.db2.gz UPRRLIREVATVSR-GGAORHGYSA-N 3 2 397.567 2.083 50 0 GEAALP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2CCCO)CC1 ZINC000095366180 571058393 /nfs/dbraw/zinc/05/83/93/571058393.db2.gz UPRRLIREVATVSR-GGAORHGYSA-N 3 2 397.567 2.083 50 0 GEAALP CN1CCC[N@H+](C)CC12CCN(C(=O)[C@@H](c1cccc(F)c1)[NH+](C)C)CC2 ZINC000095368766 571059998 /nfs/dbraw/zinc/05/99/98/571059998.db2.gz CTGJFCKAINYOEZ-LJQANCHMSA-N 2 2 376.520 2.057 50 0 GEAALP CN1CCC[N@@H+](C)CC12CCN(C(=O)[C@@H](c1cccc(F)c1)[NH+](C)C)CC2 ZINC000095368766 571060001 /nfs/dbraw/zinc/06/00/01/571060001.db2.gz CTGJFCKAINYOEZ-LJQANCHMSA-N 2 2 376.520 2.057 50 0 GEAALP CN1CCC[N@H+](C)C2(CCN(C(=O)[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)C1 ZINC000095368766 571060004 /nfs/dbraw/zinc/06/00/04/571060004.db2.gz CTGJFCKAINYOEZ-LJQANCHMSA-N 2 2 376.520 2.057 50 0 GEAALP CN1CCC[N@@H+](C)C2(CCN(C(=O)[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)C1 ZINC000095368766 571060005 /nfs/dbraw/zinc/06/00/05/571060005.db2.gz CTGJFCKAINYOEZ-LJQANCHMSA-N 2 2 376.520 2.057 50 0 GEAALP COc1cccc(C[N@H+](C)CC(C)(C)C)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095504486 571077994 /nfs/dbraw/zinc/07/79/94/571077994.db2.gz GGHQVGRBZWRSFQ-GOSISDBHSA-N 2 2 380.529 2.245 50 0 GEAALP COc1cccc(C[N@@H+](C)CC(C)(C)C)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095504486 571077999 /nfs/dbraw/zinc/07/79/99/571077999.db2.gz GGHQVGRBZWRSFQ-GOSISDBHSA-N 2 2 380.529 2.245 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1OC ZINC000095505161 571078116 /nfs/dbraw/zinc/07/81/16/571078116.db2.gz SNXVTLCTHPUWEY-GOSISDBHSA-N 2 2 380.529 2.388 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1OC ZINC000095505161 571078120 /nfs/dbraw/zinc/07/81/20/571078120.db2.gz SNXVTLCTHPUWEY-GOSISDBHSA-N 2 2 380.529 2.388 50 0 GEAALP O=C([C@@H](c1cccnc1)[NH+]1CCCC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000095516507 571083738 /nfs/dbraw/zinc/08/37/38/571083738.db2.gz ITRHTBIQTWYFEE-OAQYLSRUSA-N 2 2 380.492 2.269 50 0 GEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000426509892 231232456 /nfs/dbraw/zinc/23/24/56/231232456.db2.gz FJGIFVPZEAFZSJ-MRXNPFEDSA-N 2 2 381.484 2.327 50 0 GEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000426509892 231232459 /nfs/dbraw/zinc/23/24/59/231232459.db2.gz FJGIFVPZEAFZSJ-MRXNPFEDSA-N 2 2 381.484 2.327 50 0 GEAALP CC[N@@H+]1CCC[C@H](CN(C)C(=O)C[NH+]2Cc3ccc(OC)cc3O[C@H](C)C2)C1 ZINC000011788704 204352879 /nfs/dbraw/zinc/35/28/79/204352879.db2.gz HNLLIUUYIYZGPJ-QZTJIDSGSA-N 2 2 389.540 2.468 50 0 GEAALP CC[N@H+]1CCC[C@H](CN(C)C(=O)C[NH+]2Cc3ccc(OC)cc3O[C@H](C)C2)C1 ZINC000011788704 204352881 /nfs/dbraw/zinc/35/28/81/204352881.db2.gz HNLLIUUYIYZGPJ-QZTJIDSGSA-N 2 2 389.540 2.468 50 0 GEAALP CC[NH+]1CCC[C@H](CN(C)C(=O)C[N@H+]2Cc3ccc(OC)cc3O[C@H](C)C2)C1 ZINC000011788704 204352882 /nfs/dbraw/zinc/35/28/82/204352882.db2.gz HNLLIUUYIYZGPJ-QZTJIDSGSA-N 2 2 389.540 2.468 50 0 GEAALP CC[NH+]1CCC[C@H](CN(C)C(=O)C[N@@H+]2Cc3ccc(OC)cc3O[C@H](C)C2)C1 ZINC000011788704 204352885 /nfs/dbraw/zinc/35/28/85/204352885.db2.gz HNLLIUUYIYZGPJ-QZTJIDSGSA-N 2 2 389.540 2.468 50 0 GEAALP Cn1c(CC2CC[NH2+]CC2)nnc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000055183130 205144555 /nfs/dbraw/zinc/14/45/55/205144555.db2.gz JZAIZZNQEQGBBG-JOCHJYFZSA-N 2 2 383.540 2.303 50 0 GEAALP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071765309 205295453 /nfs/dbraw/zinc/29/54/53/205295453.db2.gz ZYJCLYPJTIEXAH-NRFANRHFSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071765309 205295458 /nfs/dbraw/zinc/29/54/58/205295458.db2.gz ZYJCLYPJTIEXAH-NRFANRHFSA-N 2 2 393.535 2.469 50 0 GEAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N(C)Cc2ccc3nonc3c2)c(C)[nH+]1 ZINC000071771423 205297206 /nfs/dbraw/zinc/29/72/06/205297206.db2.gz ZZFYJHIZZYVNAO-GJZGRUSLSA-N 2 2 382.468 2.121 50 0 GEAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N(C)Cc2ccc3nonc3c2)c(C)[nH+]1 ZINC000071771423 205297212 /nfs/dbraw/zinc/29/72/12/205297212.db2.gz ZZFYJHIZZYVNAO-GJZGRUSLSA-N 2 2 382.468 2.121 50 0 GEAALP C[N@H+](CCN1CC2(CC[NH+](Cc3ncc[nH]3)CC2)OC1=O)C1CCCCC1 ZINC000072479765 205354751 /nfs/dbraw/zinc/35/47/51/205354751.db2.gz ZKZCFSQKORLZAT-UHFFFAOYSA-N 2 2 375.517 2.461 50 0 GEAALP C[N@@H+](CCN1CC2(CC[NH+](Cc3ncc[nH]3)CC2)OC1=O)C1CCCCC1 ZINC000072479765 205354755 /nfs/dbraw/zinc/35/47/55/205354755.db2.gz ZKZCFSQKORLZAT-UHFFFAOYSA-N 2 2 375.517 2.461 50 0 GEAALP COc1cccc(C[N@@H+]2CC[C@@]3(CC(=O)NC3=O)C2)c1OCCn1cc[nH+]c1 ZINC000082125796 205388097 /nfs/dbraw/zinc/38/80/97/205388097.db2.gz JAKFIPOVTJKILK-HXUWFJFHSA-N 2 2 384.436 2.050 50 0 GEAALP COc1cccc(C[N@H+]2CC[C@@]3(CC(=O)NC3=O)C2)c1OCCn1cc[nH+]c1 ZINC000082125796 205388101 /nfs/dbraw/zinc/38/81/01/205388101.db2.gz JAKFIPOVTJKILK-HXUWFJFHSA-N 2 2 384.436 2.050 50 0 GEAALP Cc1cc(-c2[nH+]ccn2CC[NH+]2CCN(c3ncccn3)CC2)cc(C)c1O ZINC000067677591 136164800 /nfs/dbraw/zinc/16/48/00/136164800.db2.gz UMOFLUGMGABLCD-UHFFFAOYSA-N 2 2 378.480 2.485 50 0 GEAALP CNc1cc(C)[nH+]c(N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)n1 ZINC000095370478 136178616 /nfs/dbraw/zinc/17/86/16/136178616.db2.gz WAUBZMDVBJKFOU-UHFFFAOYSA-N 2 2 397.527 2.323 50 0 GEAALP Cc1nn(C)cc1C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000096162436 570217008 /nfs/dbraw/zinc/21/70/08/570217008.db2.gz XUPPZUKNNVNMBL-UHFFFAOYSA-N 2 2 380.500 2.279 50 0 GEAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000096165310 570217675 /nfs/dbraw/zinc/21/76/75/570217675.db2.gz KYPVWMJGEMWUAX-UHFFFAOYSA-N 2 2 392.467 2.459 50 0 GEAALP Cc1c[nH]c(CN(C)Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)[nH+]1 ZINC000020109558 570240382 /nfs/dbraw/zinc/24/03/82/570240382.db2.gz NGXPDCBUCNHLHH-GOSISDBHSA-N 2 2 390.553 2.139 50 0 GEAALP CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C[NH+]2Cc3ccc(OC)cc3O[C@@H](C)C2)C1 ZINC000215869679 570292853 /nfs/dbraw/zinc/29/28/53/570292853.db2.gz HNLLIUUYIYZGPJ-ROUUACIJSA-N 2 2 389.540 2.468 50 0 GEAALP CC[N@H+]1CCC[C@@H](CN(C)C(=O)C[NH+]2Cc3ccc(OC)cc3O[C@@H](C)C2)C1 ZINC000215869679 570292855 /nfs/dbraw/zinc/29/28/55/570292855.db2.gz HNLLIUUYIYZGPJ-ROUUACIJSA-N 2 2 389.540 2.468 50 0 GEAALP CC[NH+]1CCC[C@@H](CN(C)C(=O)C[N@H+]2Cc3ccc(OC)cc3O[C@@H](C)C2)C1 ZINC000215869679 570292857 /nfs/dbraw/zinc/29/28/57/570292857.db2.gz HNLLIUUYIYZGPJ-ROUUACIJSA-N 2 2 389.540 2.468 50 0 GEAALP CC[NH+]1CCC[C@@H](CN(C)C(=O)C[N@@H+]2Cc3ccc(OC)cc3O[C@@H](C)C2)C1 ZINC000215869679 570292859 /nfs/dbraw/zinc/29/28/59/570292859.db2.gz HNLLIUUYIYZGPJ-ROUUACIJSA-N 2 2 389.540 2.468 50 0 GEAALP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000218974023 570344523 /nfs/dbraw/zinc/34/45/23/570344523.db2.gz JCGAFRLQTXGZBI-HXUWFJFHSA-N 2 2 380.496 2.274 50 0 GEAALP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000218974023 570344526 /nfs/dbraw/zinc/34/45/26/570344526.db2.gz JCGAFRLQTXGZBI-HXUWFJFHSA-N 2 2 380.496 2.274 50 0 GEAALP CC(C)C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000005563259 570550274 /nfs/dbraw/zinc/55/02/74/570550274.db2.gz RLRCOGBISPHOGC-UHFFFAOYSA-N 2 2 387.524 2.428 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@H+](C)Cc2cc(C)n[nH]2)cc1OC ZINC000012433613 570661304 /nfs/dbraw/zinc/66/13/04/570661304.db2.gz STXGXRMDDJZQIU-LJQANCHMSA-N 2 2 390.528 2.440 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2cc(C)n[nH]2)cc1OC ZINC000012433613 570661305 /nfs/dbraw/zinc/66/13/05/570661305.db2.gz STXGXRMDDJZQIU-LJQANCHMSA-N 2 2 390.528 2.440 50 0 GEAALP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000170601598 570859488 /nfs/dbraw/zinc/85/94/88/570859488.db2.gz SCTCFDKSEMCHLG-KRWDZBQOSA-N 2 2 385.430 2.243 50 0 GEAALP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000170601598 570859489 /nfs/dbraw/zinc/85/94/89/570859489.db2.gz SCTCFDKSEMCHLG-KRWDZBQOSA-N 2 2 385.430 2.243 50 0 GEAALP CCn1cc(C[NH2+]Cc2cccnc2N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000014957436 570866127 /nfs/dbraw/zinc/86/61/27/570866127.db2.gz SOMOQPPXWLWINA-UHFFFAOYSA-N 2 2 377.496 2.309 50 0 GEAALP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000015068344 570876149 /nfs/dbraw/zinc/87/61/49/570876149.db2.gz FMUDIQMVIYLGPH-IBGZPJMESA-N 2 2 393.495 2.132 50 0 GEAALP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000015300729 570888160 /nfs/dbraw/zinc/88/81/60/570888160.db2.gz WHKVJPHORMPFTH-IBGZPJMESA-N 2 2 375.513 2.059 50 0 GEAALP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000015300729 570888162 /nfs/dbraw/zinc/88/81/62/570888162.db2.gz WHKVJPHORMPFTH-IBGZPJMESA-N 2 2 375.513 2.059 50 0 GEAALP C[NH+]1CCC([NH2+]Cc2cc3cccnc3n2S(=O)(=O)c2ccccc2)CC1 ZINC000585138591 570951268 /nfs/dbraw/zinc/95/12/68/570951268.db2.gz JOGYOLDKBBNYLJ-UHFFFAOYSA-N 2 2 384.505 2.457 50 0 GEAALP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000084519384 571020544 /nfs/dbraw/zinc/02/05/44/571020544.db2.gz JYNHXNAJQVOZLA-PMACEKPBSA-N 2 2 389.565 2.146 50 0 GEAALP CCn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)c(C)n1 ZINC000091644989 571021855 /nfs/dbraw/zinc/02/18/55/571021855.db2.gz MHRXQUBEYIPVLQ-OAQYLSRUSA-N 2 2 384.528 2.382 50 0 GEAALP CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)c(C)n1 ZINC000091644989 571021856 /nfs/dbraw/zinc/02/18/56/571021856.db2.gz MHRXQUBEYIPVLQ-OAQYLSRUSA-N 2 2 384.528 2.382 50 0 GEAALP CCn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)c(C)n1 ZINC000091644989 571021857 /nfs/dbraw/zinc/02/18/57/571021857.db2.gz MHRXQUBEYIPVLQ-OAQYLSRUSA-N 2 2 384.528 2.382 50 0 GEAALP CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)c(C)n1 ZINC000091644989 571021858 /nfs/dbraw/zinc/02/18/58/571021858.db2.gz MHRXQUBEYIPVLQ-OAQYLSRUSA-N 2 2 384.528 2.382 50 0 GEAALP OCCC[C@@H]1C[N@H+](Cc2cccc(Cn3cccn3)c2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091965047 571037930 /nfs/dbraw/zinc/03/79/30/571037930.db2.gz MAIPSNJBPHIMAF-PKTZIBPZSA-N 2 2 398.551 2.227 50 0 GEAALP OCCC[C@@H]1C[N@@H+](Cc2cccc(Cn3cccn3)c2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091965047 571037935 /nfs/dbraw/zinc/03/79/35/571037935.db2.gz MAIPSNJBPHIMAF-PKTZIBPZSA-N 2 2 398.551 2.227 50 0 GEAALP CCn1nc(C)c(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1C ZINC000095379584 571066783 /nfs/dbraw/zinc/06/67/83/571066783.db2.gz BJDBYANUCIIGAG-KRWDZBQOSA-N 2 2 382.516 2.273 50 0 GEAALP CCn1nc(C)c(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1C ZINC000095379584 571066784 /nfs/dbraw/zinc/06/67/84/571066784.db2.gz BJDBYANUCIIGAG-KRWDZBQOSA-N 2 2 382.516 2.273 50 0 GEAALP CC[NH+]1CCN(CC(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)CC1 ZINC000095508946 571080386 /nfs/dbraw/zinc/08/03/86/571080386.db2.gz XFZFXJNWJJEOGX-UHFFFAOYSA-N 2 2 395.551 2.275 50 0 GEAALP COc1cc(C[NH+]2CCC(C)(C)CC2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095525987 571090700 /nfs/dbraw/zinc/09/07/00/571090700.db2.gz MEIXDVXUJLUUMM-IBGZPJMESA-N 2 2 392.540 2.389 50 0 GEAALP C[NH+](C)C1CC[NH+](Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CC1 ZINC000095531645 571093381 /nfs/dbraw/zinc/09/33/81/571093381.db2.gz GNVKRYQCLHSBFV-HXUWFJFHSA-N 3 2 393.597 2.001 50 0 GEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000426486438 231227160 /nfs/dbraw/zinc/22/71/60/231227160.db2.gz QPHQUNGOBAETLJ-LJQANCHMSA-N 2 2 383.540 2.194 50 0 GEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000426486438 231227162 /nfs/dbraw/zinc/22/71/62/231227162.db2.gz QPHQUNGOBAETLJ-LJQANCHMSA-N 2 2 383.540 2.194 50 0 GEAALP CCCOc1c(C[NH2+]CCC[NH2+]CCO)cc(Br)cc1OC ZINC000020968379 531584074 /nfs/dbraw/zinc/58/40/74/531584074.db2.gz SWGFLNKXKYPDNG-UHFFFAOYSA-N 2 2 375.307 2.308 50 0 GEAALP OC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000656260059 532610455 /nfs/dbraw/zinc/61/04/55/532610455.db2.gz IJCOJZDBFCVREH-RHSMWYFYSA-N 2 2 387.293 2.465 50 0 GEAALP CC[N@H+](Cc1ccncc1)Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000011666057 204349055 /nfs/dbraw/zinc/34/90/55/204349055.db2.gz WOTUONDGMZBBAZ-OAQYLSRUSA-N 2 2 385.508 2.176 50 0 GEAALP CC[N@@H+](Cc1ccncc1)Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000011666057 204349058 /nfs/dbraw/zinc/34/90/58/204349058.db2.gz WOTUONDGMZBBAZ-OAQYLSRUSA-N 2 2 385.508 2.176 50 0 GEAALP Cc1cnn(CC[N@@H+](C)Cc2nnc(CC3CC[NH2+]CC3)n2-c2ccccc2)c1 ZINC000055576301 205149080 /nfs/dbraw/zinc/14/90/80/205149080.db2.gz GPZCIXWGVADYDR-UHFFFAOYSA-N 2 2 393.539 2.446 50 0 GEAALP Cc1cnn(CC[N@H+](C)Cc2nnc(CC3CC[NH2+]CC3)n2-c2ccccc2)c1 ZINC000055576301 205149084 /nfs/dbraw/zinc/14/90/84/205149084.db2.gz GPZCIXWGVADYDR-UHFFFAOYSA-N 2 2 393.539 2.446 50 0 GEAALP O=C1C[N@H+](C[C@@H]2CCC[NH+]3CCCC[C@H]23)CCN1Cc1ccc2c(c1)OCO2 ZINC000063884135 205188890 /nfs/dbraw/zinc/18/88/90/205188890.db2.gz AKMKDOJGCIQOOI-RBUKOAKNSA-N 2 2 385.508 2.324 50 0 GEAALP O=C1C[N@@H+](C[C@@H]2CCC[NH+]3CCCC[C@H]23)CCN1Cc1ccc2c(c1)OCO2 ZINC000063884135 205188895 /nfs/dbraw/zinc/18/88/95/205188895.db2.gz AKMKDOJGCIQOOI-RBUKOAKNSA-N 2 2 385.508 2.324 50 0 GEAALP O=C1C[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCN1Cc1ccc2c(c1)OCO2 ZINC000063884135 205188897 /nfs/dbraw/zinc/18/88/97/205188897.db2.gz AKMKDOJGCIQOOI-RBUKOAKNSA-N 2 2 385.508 2.324 50 0 GEAALP O=C1C[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCN1Cc1ccc2c(c1)OCO2 ZINC000063884135 205188902 /nfs/dbraw/zinc/18/89/02/205188902.db2.gz AKMKDOJGCIQOOI-RBUKOAKNSA-N 2 2 385.508 2.324 50 0 GEAALP CCC[NH+]1CCN(C(=O)CCC2CCN(c3cc(NCC)[nH+]cn3)CC2)CC1 ZINC000065274017 205226512 /nfs/dbraw/zinc/22/65/12/205226512.db2.gz YDWOOJFCPSPRDN-UHFFFAOYSA-N 2 2 388.560 2.459 50 0 GEAALP CCC[NH+]1CCN(C(=O)CCC2CCN(c3cc(NCC)nc[nH+]3)CC2)CC1 ZINC000065274017 205226515 /nfs/dbraw/zinc/22/65/15/205226515.db2.gz YDWOOJFCPSPRDN-UHFFFAOYSA-N 2 2 388.560 2.459 50 0 GEAALP Nc1nc(N2CCOCC2)cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)[nH+]1 ZINC000071403966 205283286 /nfs/dbraw/zinc/28/32/86/205283286.db2.gz GYJXOHXZZRIRAC-KRWDZBQOSA-N 2 2 383.496 2.343 50 0 GEAALP NC(=O)c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071639377 205285395 /nfs/dbraw/zinc/28/53/95/205285395.db2.gz YBZFERUQWWPFSW-FQEVSTJZSA-N 2 2 398.551 2.084 50 0 GEAALP NC(=O)c1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071639377 205285398 /nfs/dbraw/zinc/28/53/98/205285398.db2.gz YBZFERUQWWPFSW-FQEVSTJZSA-N 2 2 398.551 2.084 50 0 GEAALP Cc1[nH+]c[nH]c1CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071721251 205287279 /nfs/dbraw/zinc/28/72/79/205287279.db2.gz GZSMAIWHUFZJDR-IBGZPJMESA-N 2 2 396.539 2.106 50 0 GEAALP Cc1[nH+]c[nH]c1CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071721251 205287282 /nfs/dbraw/zinc/28/72/82/205287282.db2.gz GZSMAIWHUFZJDR-IBGZPJMESA-N 2 2 396.539 2.106 50 0 GEAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071750612 205291757 /nfs/dbraw/zinc/29/17/57/205291757.db2.gz XQVUFGVQLLPHOV-HXUWFJFHSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071750612 205291762 /nfs/dbraw/zinc/29/17/62/205291762.db2.gz XQVUFGVQLLPHOV-HXUWFJFHSA-N 2 2 393.535 2.469 50 0 GEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)[nH]n1 ZINC000071752740 205292396 /nfs/dbraw/zinc/29/23/96/205292396.db2.gz CARDCGKVTLIYSQ-LJQANCHMSA-N 2 2 396.539 2.106 50 0 GEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)[nH]n1 ZINC000071752740 205292398 /nfs/dbraw/zinc/29/23/98/205292398.db2.gz CARDCGKVTLIYSQ-LJQANCHMSA-N 2 2 396.539 2.106 50 0 GEAALP COC(C)(C)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071774997 205297672 /nfs/dbraw/zinc/29/76/72/205297672.db2.gz HYYWVQTYYBKPLM-IBGZPJMESA-N 2 2 388.556 2.299 50 0 GEAALP COC(C)(C)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071774997 205297676 /nfs/dbraw/zinc/29/76/76/205297676.db2.gz HYYWVQTYYBKPLM-IBGZPJMESA-N 2 2 388.556 2.299 50 0 GEAALP Cc1c[nH]c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)[nH+]1 ZINC000082120152 205386697 /nfs/dbraw/zinc/38/66/97/205386697.db2.gz SBPVUAXTUJMFIQ-GOSISDBHSA-N 2 2 396.539 2.106 50 0 GEAALP Cc1c[nH]c(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)[nH+]1 ZINC000082120152 205386702 /nfs/dbraw/zinc/38/67/02/205386702.db2.gz SBPVUAXTUJMFIQ-GOSISDBHSA-N 2 2 396.539 2.106 50 0 GEAALP CCC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCN(c2ccccc2C)CC1 ZINC000067770851 136164932 /nfs/dbraw/zinc/16/49/32/136164932.db2.gz MSGWHMCSXUXSKP-IBGZPJMESA-N 2 2 381.524 2.460 50 0 GEAALP CCOc1ccc(C[N@@H+]2CCN(c3nc(NC)cc(C)[nH+]3)C[C@@H]2CCO)cc1 ZINC000072476091 136171389 /nfs/dbraw/zinc/17/13/89/136171389.db2.gz YYPOQUSGQINWJX-SFHVURJKSA-N 2 2 385.512 2.299 50 0 GEAALP CCOc1ccc(C[N@H+]2CCN(c3nc(NC)cc(C)[nH+]3)C[C@@H]2CCO)cc1 ZINC000072476091 136171390 /nfs/dbraw/zinc/17/13/90/136171390.db2.gz YYPOQUSGQINWJX-SFHVURJKSA-N 2 2 385.512 2.299 50 0 GEAALP CC(C)Nc1cc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc(N)[nH+]1 ZINC000095507855 136180423 /nfs/dbraw/zinc/18/04/23/136180423.db2.gz PWXIBBXGKKWNEM-INIZCTEOSA-N 3 2 386.548 2.411 50 0 GEAALP CCCc1cc(N2CCC([NH2+]CCN3CCC[C@@H](CO)C3)CC2)nc(C)[nH+]1 ZINC000095528529 136181595 /nfs/dbraw/zinc/18/15/95/136181595.db2.gz YIXBANLNNXAHFX-GOSISDBHSA-N 2 2 375.561 2.000 50 0 GEAALP CCCc1cc(N2CCC([NH2+]CC[N@@H+]3CCC[C@@H](CO)C3)CC2)nc(C)[nH+]1 ZINC000095528529 136181596 /nfs/dbraw/zinc/18/15/96/136181596.db2.gz YIXBANLNNXAHFX-GOSISDBHSA-N 3 2 375.561 2.000 50 0 GEAALP CCCc1cc(N2CCC([NH2+]CC[N@H+]3CCC[C@@H](CO)C3)CC2)nc(C)[nH+]1 ZINC000095528529 136181597 /nfs/dbraw/zinc/18/15/97/136181597.db2.gz YIXBANLNNXAHFX-GOSISDBHSA-N 3 2 375.561 2.000 50 0 GEAALP CCc1c(C)[nH+]c(C)nc1N1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095380547 536069860 /nfs/dbraw/zinc/06/98/60/536069860.db2.gz HSPFZTVBZRSQME-MRXNPFEDSA-N 2 2 380.500 2.413 50 0 GEAALP CCNc1ncc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)cn1 ZINC000096149427 570215013 /nfs/dbraw/zinc/21/50/13/570215013.db2.gz GWTJNGAFHFPRCC-UHFFFAOYSA-N 2 2 384.532 2.012 50 0 GEAALP OCC[NH+]1CCN(C2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000096836807 570232871 /nfs/dbraw/zinc/23/28/71/570232871.db2.gz RKJIOGYLSHZNBW-UHFFFAOYSA-N 2 2 382.346 2.023 50 0 GEAALP Cc1ccccc1C(=O)N1CCC2(CC[NH+](Cc3c[nH+]c[nH]3)CC2)[C@@H](CO)C1 ZINC000097657304 570248950 /nfs/dbraw/zinc/24/89/50/570248950.db2.gz NCWRAMSTSMIBPZ-GOSISDBHSA-N 2 2 382.508 2.455 50 0 GEAALP O[C@@H](COc1cccc(C[NH2+]CCc2ccccc2F)c1)C[NH+]1CCOCC1 ZINC000020255777 570250231 /nfs/dbraw/zinc/25/02/31/570250231.db2.gz RGMNMEPDXITMBB-HXUWFJFHSA-N 2 2 388.483 2.230 50 0 GEAALP NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000215961806 570294000 /nfs/dbraw/zinc/29/40/00/570294000.db2.gz ARQBFFBUHZOEKJ-OAQYLSRUSA-N 2 2 376.460 2.374 50 0 GEAALP NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000215961806 570294003 /nfs/dbraw/zinc/29/40/03/570294003.db2.gz ARQBFFBUHZOEKJ-OAQYLSRUSA-N 2 2 376.460 2.374 50 0 GEAALP C[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](Cc4ccccc4)CC3)c2)CC1 ZINC000034684109 570301316 /nfs/dbraw/zinc/30/13/16/570301316.db2.gz XJWKAJSWOHWNQX-UHFFFAOYSA-N 2 2 392.547 2.392 50 0 GEAALP Cc1ccc(C[NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCOCC3)c2)s1 ZINC000012704469 570700140 /nfs/dbraw/zinc/70/01/40/570700140.db2.gz KRNITARJGLPHBW-SFHVURJKSA-N 2 2 376.522 2.418 50 0 GEAALP CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1NCCC[NH+]1CCOCC1 ZINC000005960170 570809203 /nfs/dbraw/zinc/80/92/03/570809203.db2.gz JEHXTNAENNDWKB-UHFFFAOYSA-N 2 2 387.480 2.366 50 0 GEAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cn(C)nc2-c2ccncc2)nc[nH+]1 ZINC000109070479 570996125 /nfs/dbraw/zinc/99/61/25/570996125.db2.gz OPJRORMNCSQWSX-KRWDZBQOSA-N 2 2 378.484 2.072 50 0 GEAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cn(C)nc2-c2cccnc2)nc[nH+]1 ZINC000109069949 570996340 /nfs/dbraw/zinc/99/63/40/570996340.db2.gz JMBLBTKBORCHKJ-QGZVFWFLSA-N 2 2 378.484 2.072 50 0 GEAALP CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)C[NH+]1Cc3ccccc3C1)CC2 ZINC000091381197 571005240 /nfs/dbraw/zinc/00/52/40/571005240.db2.gz ZODMBWCSJWQWFC-UHFFFAOYSA-N 2 2 379.508 2.121 50 0 GEAALP CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)C[NH+]1Cc3ccccc3C1)CC2 ZINC000091381197 571005243 /nfs/dbraw/zinc/00/52/43/571005243.db2.gz ZODMBWCSJWQWFC-UHFFFAOYSA-N 2 2 379.508 2.121 50 0 GEAALP Cc1nn(CC(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)c(C)c1C ZINC000095352645 571050595 /nfs/dbraw/zinc/05/05/95/571050595.db2.gz YQTAGXOECKEOOM-UHFFFAOYSA-N 2 2 386.544 2.363 50 0 GEAALP CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095388807 571071632 /nfs/dbraw/zinc/07/16/32/571071632.db2.gz VPZOMFSSRPNHBU-SFHVURJKSA-N 2 2 378.480 2.492 50 0 GEAALP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH+]3CCC(F)(F)CC3)c2)CC1 ZINC000095498309 571074935 /nfs/dbraw/zinc/07/49/35/571074935.db2.gz IUULTOGIGLYYBE-LJQANCHMSA-N 2 2 397.510 2.295 50 0 GEAALP CCC1CC[NH+](Cc2cccc(OC)c2OC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000095518001 571085173 /nfs/dbraw/zinc/08/51/73/571085173.db2.gz QCEZTRZBUFREPE-FQEVSTJZSA-N 2 2 392.540 2.389 50 0 GEAALP COc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095525866 571090489 /nfs/dbraw/zinc/09/04/89/571090489.db2.gz UWYMTAGWVMDGIX-IBGZPJMESA-N 2 2 388.512 2.276 50 0 GEAALP COc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095525866 571090490 /nfs/dbraw/zinc/09/04/90/571090490.db2.gz UWYMTAGWVMDGIX-IBGZPJMESA-N 2 2 388.512 2.276 50 0 GEAALP COc1ccc2c(cc(C(=O)N[C@@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)n2C)c1 ZINC000011665054 204348815 /nfs/dbraw/zinc/34/88/15/204348815.db2.gz JMVVAMBFEUEOIK-QGZVFWFLSA-N 2 2 384.524 2.475 50 0 GEAALP COc1ccc2c(cc(C(=O)N[C@@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)n2C)c1 ZINC000011665054 204348820 /nfs/dbraw/zinc/34/88/20/204348820.db2.gz JMVVAMBFEUEOIK-QGZVFWFLSA-N 2 2 384.524 2.475 50 0 GEAALP C[C@@H](c1ccc2c(c1)OCCO2)[N@H+](C)Cc1nnc(CC2CC[NH2+]CC2)n1C ZINC000055072709 205141016 /nfs/dbraw/zinc/14/10/16/205141016.db2.gz UNMUEZSUGMTLGV-HNNXBMFYSA-N 2 2 385.512 2.321 50 0 GEAALP C[C@@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1nnc(CC2CC[NH2+]CC2)n1C ZINC000055072709 205141022 /nfs/dbraw/zinc/14/10/22/205141022.db2.gz UNMUEZSUGMTLGV-HNNXBMFYSA-N 2 2 385.512 2.321 50 0 GEAALP COc1cc([C@H]2[NH2+][C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]32)cc2c1OCO2 ZINC000065383317 205231752 /nfs/dbraw/zinc/23/17/52/205231752.db2.gz MXAPXZYHFQQEJK-IMLKGASGSA-N 2 2 382.460 2.134 50 0 GEAALP COc1cc([C@H]2[NH2+][C@](CO)(c3ccccc3)[C@H]3C[N@@H+](C)C[C@H]32)cc2c1OCO2 ZINC000065383317 205231756 /nfs/dbraw/zinc/23/17/56/205231756.db2.gz MXAPXZYHFQQEJK-IMLKGASGSA-N 2 2 382.460 2.134 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000067955516 205269065 /nfs/dbraw/zinc/26/90/65/205269065.db2.gz ATWHDCDGXOUBIJ-SFHVURJKSA-N 2 2 377.504 2.265 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000067955516 205269067 /nfs/dbraw/zinc/26/90/67/205269067.db2.gz ATWHDCDGXOUBIJ-SFHVURJKSA-N 2 2 377.504 2.265 50 0 GEAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccs3)CC2)C1)N1CCOCC1 ZINC000067965949 205270171 /nfs/dbraw/zinc/27/01/71/205270171.db2.gz YBXRJANPSRYTEN-QGZVFWFLSA-N 2 2 377.554 2.283 50 0 GEAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccs3)CC2)C1)N1CCOCC1 ZINC000067965949 205270174 /nfs/dbraw/zinc/27/01/74/205270174.db2.gz YBXRJANPSRYTEN-QGZVFWFLSA-N 2 2 377.554 2.283 50 0 GEAALP CN(Cc1ncc[nH]1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071746898 205288653 /nfs/dbraw/zinc/28/86/53/205288653.db2.gz TWYUKSZAZWWPCW-IBGZPJMESA-N 2 2 396.539 2.140 50 0 GEAALP CN(Cc1ncc[nH]1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071746898 205288658 /nfs/dbraw/zinc/28/86/58/205288658.db2.gz TWYUKSZAZWWPCW-IBGZPJMESA-N 2 2 396.539 2.140 50 0 GEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)[nH]n1 ZINC000071779852 205297261 /nfs/dbraw/zinc/29/72/61/205297261.db2.gz VZVHHGIDOHVXKX-LJQANCHMSA-N 2 2 396.539 2.106 50 0 GEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)[nH]n1 ZINC000071779852 205297265 /nfs/dbraw/zinc/29/72/65/205297265.db2.gz VZVHHGIDOHVXKX-LJQANCHMSA-N 2 2 396.539 2.106 50 0 GEAALP CCc1oc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1C[NH+]1CCCC1 ZINC000072147190 205310831 /nfs/dbraw/zinc/31/08/31/205310831.db2.gz GYKJRJOJIROKDK-SFHVURJKSA-N 2 2 375.513 2.375 50 0 GEAALP CCn1ccnc1C[NH+]1CCC2(CN(CC[N@H+](C)CC(C)C)C(=O)O2)CC1 ZINC000072433811 205351825 /nfs/dbraw/zinc/35/18/25/205351825.db2.gz YIOWPBLHLDRARC-UHFFFAOYSA-N 2 2 377.533 2.278 50 0 GEAALP CCn1ccnc1C[NH+]1CCC2(CN(CC[N@@H+](C)CC(C)C)C(=O)O2)CC1 ZINC000072433811 205351829 /nfs/dbraw/zinc/35/18/29/205351829.db2.gz YIOWPBLHLDRARC-UHFFFAOYSA-N 2 2 377.533 2.278 50 0 GEAALP COc1cccc(C[N@@H+]2CC[C@]3(CC(=O)NC3=O)C2)c1OCCn1cc[nH+]c1 ZINC000082125793 205387209 /nfs/dbraw/zinc/38/72/09/205387209.db2.gz JAKFIPOVTJKILK-FQEVSTJZSA-N 2 2 384.436 2.050 50 0 GEAALP COc1cccc(C[N@H+]2CC[C@]3(CC(=O)NC3=O)C2)c1OCCn1cc[nH+]c1 ZINC000082125793 205387213 /nfs/dbraw/zinc/38/72/13/205387213.db2.gz JAKFIPOVTJKILK-FQEVSTJZSA-N 2 2 384.436 2.050 50 0 GEAALP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[N@H+](C)Cc4ccccc43)c[nH+]2)CCO1 ZINC000225645387 206063082 /nfs/dbraw/zinc/06/30/82/206063082.db2.gz FSXXWKHXEMQGTQ-QGZVFWFLSA-N 2 2 395.507 2.468 50 0 GEAALP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[N@@H+](C)Cc4ccccc43)c[nH+]2)CCO1 ZINC000225645387 206063086 /nfs/dbraw/zinc/06/30/86/206063086.db2.gz FSXXWKHXEMQGTQ-QGZVFWFLSA-N 2 2 395.507 2.468 50 0 GEAALP CCCc1nc(N2CCC[C@H]([NH+]3CCN(C(=O)OCC)CC3)C2)cc(C)[nH+]1 ZINC000072164680 136167286 /nfs/dbraw/zinc/16/72/86/136167286.db2.gz DGYOYYLJLGINQI-KRWDZBQOSA-N 2 2 375.517 2.480 50 0 GEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)CCc3ccccc3)CC2)[nH+]cn1 ZINC000072434132 136170442 /nfs/dbraw/zinc/17/04/42/136170442.db2.gz QNUAWMZXTMVBLS-UHFFFAOYSA-N 2 2 376.464 2.252 50 0 GEAALP C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cc4nncn4c(N)[nH+]3)CC2)C1 ZINC000091651425 136176795 /nfs/dbraw/zinc/17/67/95/136176795.db2.gz MDISCRBIOPHCOT-QGZVFWFLSA-N 2 2 377.496 2.412 50 0 GEAALP C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cc4nncn4c(N)[nH+]3)CC2)C1 ZINC000091651425 136176796 /nfs/dbraw/zinc/17/67/96/136176796.db2.gz MDISCRBIOPHCOT-QGZVFWFLSA-N 2 2 377.496 2.412 50 0 GEAALP CCn1ccnc1C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000096166103 570218315 /nfs/dbraw/zinc/21/83/15/570218315.db2.gz PJSUUSVWCUSXJP-UHFFFAOYSA-N 2 2 380.500 2.454 50 0 GEAALP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000048955864 570255493 /nfs/dbraw/zinc/25/54/93/570255493.db2.gz HKSHRNXVNQNNMT-ROUUACIJSA-N 2 2 389.544 2.085 50 0 GEAALP Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@@H](O)CN2CC[NH+](C)CC2)[C@@H]3CCC1 ZINC000226941661 570375601 /nfs/dbraw/zinc/37/56/01/570375601.db2.gz ZJUNKOUVYZCWIZ-PGRDOPGGSA-N 2 2 382.552 2.251 50 0 GEAALP Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@@H](O)CN2CC[NH+](C)CC2)[C@@H]3CCC1 ZINC000226941661 570375605 /nfs/dbraw/zinc/37/56/05/570375605.db2.gz ZJUNKOUVYZCWIZ-PGRDOPGGSA-N 2 2 382.552 2.251 50 0 GEAALP O=C(C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000023989990 570376391 /nfs/dbraw/zinc/37/63/91/570376391.db2.gz DWQDQGPFEAGKOB-UHFFFAOYSA-N 2 2 379.508 2.438 50 0 GEAALP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC[NH+]3CCCOCC3)c2C1 ZINC000189453361 570753466 /nfs/dbraw/zinc/75/34/66/570753466.db2.gz DLZOYNWZUUMRHS-UHFFFAOYSA-N 2 2 382.508 2.065 50 0 GEAALP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC[NH+]3CCCOCC3)c2C1 ZINC000189453361 570753474 /nfs/dbraw/zinc/75/34/74/570753474.db2.gz DLZOYNWZUUMRHS-UHFFFAOYSA-N 2 2 382.508 2.065 50 0 GEAALP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCC[N@@H+]3CCCOCC3)c2C1 ZINC000189453361 570753478 /nfs/dbraw/zinc/75/34/78/570753478.db2.gz DLZOYNWZUUMRHS-UHFFFAOYSA-N 2 2 382.508 2.065 50 0 GEAALP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCC[N@H+]3CCCOCC3)c2C1 ZINC000189453361 570753481 /nfs/dbraw/zinc/75/34/81/570753481.db2.gz DLZOYNWZUUMRHS-UHFFFAOYSA-N 2 2 382.508 2.065 50 0 GEAALP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000014239966 570835565 /nfs/dbraw/zinc/83/55/65/570835565.db2.gz JEZQZLQKPBTZNU-INIZCTEOSA-N 2 2 397.475 2.364 50 0 GEAALP Cc1[nH+]ccn1CCN(C)C(=O)C1([N@H+]2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000015068785 570876086 /nfs/dbraw/zinc/87/60/86/570876086.db2.gz LGEOUHOSFFNBGK-HDICACEKSA-N 2 2 396.535 2.297 50 0 GEAALP Cc1[nH+]ccn1CCN(C)C(=O)C1([N@@H+]2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000015068785 570876089 /nfs/dbraw/zinc/87/60/89/570876089.db2.gz LGEOUHOSFFNBGK-HDICACEKSA-N 2 2 396.535 2.297 50 0 GEAALP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000091254644 571001140 /nfs/dbraw/zinc/00/11/40/571001140.db2.gz CDAVTQYUKBQZHF-UHFFFAOYSA-N 2 2 380.448 2.361 50 0 GEAALP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091289619 571002209 /nfs/dbraw/zinc/00/22/09/571002209.db2.gz NETFNUXNSGXFHP-RTBURBONSA-N 2 2 384.524 2.288 50 0 GEAALP CN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1cc3ccccc3n(C)c1=O)CC2 ZINC000091574441 571014941 /nfs/dbraw/zinc/01/49/41/571014941.db2.gz KPQIAKGYLXRNJY-UHFFFAOYSA-N 2 2 377.492 2.241 50 0 GEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC000095375475 571064108 /nfs/dbraw/zinc/06/41/08/571064108.db2.gz SBHXGDHXAYUTAW-UHFFFAOYSA-N 2 2 380.443 2.446 50 0 GEAALP COc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095509405 571080690 /nfs/dbraw/zinc/08/06/90/571080690.db2.gz RURUUTFORVUJAJ-GOSISDBHSA-N 2 2 380.529 2.386 50 0 GEAALP COc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095509405 571080691 /nfs/dbraw/zinc/08/06/91/571080691.db2.gz RURUUTFORVUJAJ-GOSISDBHSA-N 2 2 380.529 2.386 50 0 GEAALP COc1cc(C[NH+]2CCOC(C)(C)C2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095509405 571080692 /nfs/dbraw/zinc/08/06/92/571080692.db2.gz RURUUTFORVUJAJ-GOSISDBHSA-N 2 2 380.529 2.386 50 0 GEAALP COc1cc(C[NH+]2CCOC(C)(C)C2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095509405 571080693 /nfs/dbraw/zinc/08/06/93/571080693.db2.gz RURUUTFORVUJAJ-GOSISDBHSA-N 2 2 380.529 2.386 50 0 GEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000095521898 571087721 /nfs/dbraw/zinc/08/77/21/571087721.db2.gz XHNUIFVUGCESPU-INIZCTEOSA-N 2 2 381.484 2.126 50 0 GEAALP CN1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000095522879 571088299 /nfs/dbraw/zinc/08/82/99/571088299.db2.gz KTWQQMSWXBOXQP-QHCPKHFHSA-N 2 2 395.547 2.232 50 0 GEAALP CN1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000095522879 571088301 /nfs/dbraw/zinc/08/83/01/571088301.db2.gz KTWQQMSWXBOXQP-QHCPKHFHSA-N 2 2 395.547 2.232 50 0 GEAALP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095531135 571093308 /nfs/dbraw/zinc/09/33/08/571093308.db2.gz VTAHLGLXYSGDGY-GOSISDBHSA-N 2 2 378.513 2.142 50 0 GEAALP COc1cc(C[N@H+]2CCCC2(C)C)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095531135 571093310 /nfs/dbraw/zinc/09/33/10/571093310.db2.gz VTAHLGLXYSGDGY-GOSISDBHSA-N 2 2 378.513 2.142 50 0 GEAALP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000012472158 642372737 /nfs/dbraw/zinc/37/27/37/642372737.db2.gz HMLZTBHXLIWHJE-CYBMUJFWSA-N 2 2 379.979 2.438 50 0 GEAALP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000012472158 642372744 /nfs/dbraw/zinc/37/27/44/642372744.db2.gz HMLZTBHXLIWHJE-CYBMUJFWSA-N 2 2 379.979 2.438 50 0 GEAALP COc1ccc(C[N@H+](CC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000007662348 204245616 /nfs/dbraw/zinc/24/56/16/204245616.db2.gz YJKGEAFPKNTYRE-UHFFFAOYSA-N 2 2 380.492 2.403 50 0 GEAALP COc1ccc(C[N@@H+](CC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000007662348 204245620 /nfs/dbraw/zinc/24/56/20/204245620.db2.gz YJKGEAFPKNTYRE-UHFFFAOYSA-N 2 2 380.492 2.403 50 0 GEAALP CCC[NH+]1CCC(N2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)CC1 ZINC000039455313 205043201 /nfs/dbraw/zinc/04/32/01/205043201.db2.gz SPYAWIZXTAWUHJ-JOCHJYFZSA-N 3 2 380.621 2.102 50 0 GEAALP CCC[NH+]1CCC(N2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)CC1 ZINC000039455313 205043205 /nfs/dbraw/zinc/04/32/05/205043205.db2.gz SPYAWIZXTAWUHJ-JOCHJYFZSA-N 3 2 380.621 2.102 50 0 GEAALP CCC[NH+]1CCC([N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)CC1 ZINC000039455313 205043207 /nfs/dbraw/zinc/04/32/07/205043207.db2.gz SPYAWIZXTAWUHJ-JOCHJYFZSA-N 3 2 380.621 2.102 50 0 GEAALP CCC[NH+]1CCC([N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)CC1 ZINC000039455313 205043211 /nfs/dbraw/zinc/04/32/11/205043211.db2.gz SPYAWIZXTAWUHJ-JOCHJYFZSA-N 3 2 380.621 2.102 50 0 GEAALP O=C(NC1CC1)C1CC[NH+](C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000055197020 205146091 /nfs/dbraw/zinc/14/60/91/205146091.db2.gz LNITVMAGSWPIHF-UHFFFAOYSA-N 2 2 399.535 2.413 50 0 GEAALP CCOC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000058441187 205176485 /nfs/dbraw/zinc/17/64/85/205176485.db2.gz WBTFWQUUBCFYDB-XLIONFOSSA-N 2 2 387.524 2.041 50 0 GEAALP CCOC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000058441187 205176490 /nfs/dbraw/zinc/17/64/90/205176490.db2.gz WBTFWQUUBCFYDB-XLIONFOSSA-N 2 2 387.524 2.041 50 0 GEAALP COc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000067712968 205256934 /nfs/dbraw/zinc/25/69/34/205256934.db2.gz AKONDPZONLJGFZ-HXUWFJFHSA-N 2 2 397.523 2.016 50 0 GEAALP C[C@H](Cn1cccn1)[NH2+]Cc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067754382 205257835 /nfs/dbraw/zinc/25/78/35/205257835.db2.gz NTDPXMZXKLRKMB-GOSISDBHSA-N 2 2 377.496 2.178 50 0 GEAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067920977 205267955 /nfs/dbraw/zinc/26/79/55/205267955.db2.gz OTFOURPOJXJXGV-SFHVURJKSA-N 2 2 382.443 2.215 50 0 GEAALP COC(C)(C)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071479592 205286179 /nfs/dbraw/zinc/28/61/79/205286179.db2.gz DJEGMQALYFGNHY-IBGZPJMESA-N 2 2 388.556 2.299 50 0 GEAALP COC(C)(C)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071479592 205286184 /nfs/dbraw/zinc/28/61/84/205286184.db2.gz DJEGMQALYFGNHY-IBGZPJMESA-N 2 2 388.556 2.299 50 0 GEAALP Cn1ncc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1C1CC1 ZINC000071738501 205287343 /nfs/dbraw/zinc/28/73/43/205287343.db2.gz QAWLPEWCCZDGAX-QGZVFWFLSA-N 2 2 385.556 2.253 50 0 GEAALP Cn1ncc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1C1CC1 ZINC000071738501 205287346 /nfs/dbraw/zinc/28/73/46/205287346.db2.gz QAWLPEWCCZDGAX-QGZVFWFLSA-N 2 2 385.556 2.253 50 0 GEAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071754776 205291462 /nfs/dbraw/zinc/29/14/62/205291462.db2.gz JKZPVUOEIOVYPA-IBGZPJMESA-N 2 2 396.539 2.140 50 0 GEAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071754776 205291466 /nfs/dbraw/zinc/29/14/66/205291466.db2.gz JKZPVUOEIOVYPA-IBGZPJMESA-N 2 2 396.539 2.140 50 0 GEAALP O=C(NC1CCOCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071756874 205293658 /nfs/dbraw/zinc/29/36/58/205293658.db2.gz AVUYPBCIJPHTCB-IBGZPJMESA-N 2 2 386.540 2.053 50 0 GEAALP O=C(NC1CCOCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071756874 205293660 /nfs/dbraw/zinc/29/36/60/205293660.db2.gz AVUYPBCIJPHTCB-IBGZPJMESA-N 2 2 386.540 2.053 50 0 GEAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N(C)Cc2noc3c2CCCC3)c(C)[nH+]1 ZINC000072158384 205312198 /nfs/dbraw/zinc/31/21/98/205312198.db2.gz OOXDDVJPIAQUQC-HOTGVXAUSA-N 2 2 385.512 2.451 50 0 GEAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N(C)Cc2noc3c2CCCC3)c(C)[nH+]1 ZINC000072158384 205312202 /nfs/dbraw/zinc/31/22/02/205312202.db2.gz OOXDDVJPIAQUQC-HOTGVXAUSA-N 2 2 385.512 2.451 50 0 GEAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000077343610 205359787 /nfs/dbraw/zinc/35/97/87/205359787.db2.gz OKSHQMSKBRTNPL-UHFFFAOYSA-N 2 2 379.512 2.442 50 0 GEAALP Cc1cccc(N2CC[NH+](CCC(=O)NCc3c[nH+]c4ccccn34)CC2)c1 ZINC000252509092 206142520 /nfs/dbraw/zinc/14/25/20/206142520.db2.gz YCHVBPADQQOFPM-UHFFFAOYSA-N 2 2 377.492 2.471 50 0 GEAALP Cc1ccc(Cn2nc(C[NH2+]CCC[NH2+]CCO)c(-c3ccccc3)n2)cc1 ZINC000261492509 206182963 /nfs/dbraw/zinc/18/29/63/206182963.db2.gz YPHBNKAPNJSJMN-UHFFFAOYSA-N 2 2 379.508 2.363 50 0 GEAALP COc1ccc(C[N@@H+]2CCN(c3cc(N(C)C)[nH+]cn3)C[C@@H]2CCO)c(C)c1C ZINC000072409617 136169661 /nfs/dbraw/zinc/16/96/61/136169661.db2.gz OSYUVYVRHYRGBK-IBGZPJMESA-N 2 2 399.539 2.241 50 0 GEAALP COc1ccc(C[N@H+]2CCN(c3cc(N(C)C)[nH+]cn3)C[C@@H]2CCO)c(C)c1C ZINC000072409617 136169662 /nfs/dbraw/zinc/16/96/62/136169662.db2.gz OSYUVYVRHYRGBK-IBGZPJMESA-N 2 2 399.539 2.241 50 0 GEAALP Cc1nnc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)o1 ZINC000095501400 136179841 /nfs/dbraw/zinc/17/98/41/136179841.db2.gz UKPCEYKHIXSNMU-SFHVURJKSA-N 2 2 398.511 2.114 50 0 GEAALP Cc1nnc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)o1 ZINC000095501400 136179842 /nfs/dbraw/zinc/17/98/42/136179842.db2.gz UKPCEYKHIXSNMU-SFHVURJKSA-N 2 2 398.511 2.114 50 0 GEAALP CC(=O)NCc1ccc(N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)[nH+]c1 ZINC000095519250 136180925 /nfs/dbraw/zinc/18/09/25/136180925.db2.gz OTORVWATQTVITB-UHFFFAOYSA-N 3 2 384.528 2.250 50 0 GEAALP Cc1nnc(C[NH2+]C2CCN(c3nccc(-c4ccc(C)[nH+]c4C)n3)CC2)[nH]1 ZINC000095524249 136181503 /nfs/dbraw/zinc/18/15/03/136181503.db2.gz QPLVSSRXEBOQSY-UHFFFAOYSA-N 2 2 378.484 2.341 50 0 GEAALP CCCc1nc(N2CCC([NH+]3CCN(c4cnccn4)CC3)CC2)cc(C)[nH+]1 ZINC000095527497 136181589 /nfs/dbraw/zinc/18/15/89/136181589.db2.gz NXOYSRUFGRLDBC-UHFFFAOYSA-N 2 2 381.528 2.319 50 0 GEAALP Cc1cc(N2CCC([NH2+]Cc3cc(=O)[nH]cn3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096150191 136184500 /nfs/dbraw/zinc/18/45/00/136184500.db2.gz RQVKBYZXOJWJLW-UHFFFAOYSA-N 2 2 376.464 2.294 50 0 GEAALP COc1ccc(C[N@@H+]2CCN(c3cc(N(C)C)[nH+]cn3)C[C@H]2CCO)c(C)c1C ZINC000106951515 136201752 /nfs/dbraw/zinc/20/17/52/136201752.db2.gz OSYUVYVRHYRGBK-LJQANCHMSA-N 2 2 399.539 2.241 50 0 GEAALP COc1ccc(C[N@H+]2CCN(c3cc(N(C)C)[nH+]cn3)C[C@H]2CCO)c(C)c1C ZINC000106951515 136201753 /nfs/dbraw/zinc/20/17/53/136201753.db2.gz OSYUVYVRHYRGBK-LJQANCHMSA-N 2 2 399.539 2.241 50 0 GEAALP Nc1ncccc1C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1 ZINC000096140724 570213164 /nfs/dbraw/zinc/21/31/64/570213164.db2.gz OWIUKRIHUJOPFH-UHFFFAOYSA-N 2 2 378.484 2.215 50 0 GEAALP Cc1noc(C)c1C[N@H+]1CCC2(CC[NH+](Cc3c[nH+]cn3C)CC2)[C@H](CO)C1 ZINC000097334308 570241760 /nfs/dbraw/zinc/24/17/60/570241760.db2.gz FQRHPWAOHRJTHP-SFHVURJKSA-N 3 2 387.528 2.122 50 0 GEAALP Cc1noc(C)c1C[N@@H+]1CCC2(CC[NH+](Cc3c[nH+]cn3C)CC2)[C@H](CO)C1 ZINC000097334308 570241766 /nfs/dbraw/zinc/24/17/66/570241766.db2.gz FQRHPWAOHRJTHP-SFHVURJKSA-N 3 2 387.528 2.122 50 0 GEAALP O=C(Cc1c[nH+]c[nH]1)N1CCC2(CC[NH+](CC3CCCCC3)CC2)[C@@H](CO)C1 ZINC000097655501 570248992 /nfs/dbraw/zinc/24/89/92/570248992.db2.gz QUHSYRXMYQWBSN-LJQANCHMSA-N 2 2 388.556 2.456 50 0 GEAALP COCc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)o1 ZINC000104470719 570259401 /nfs/dbraw/zinc/25/94/01/570259401.db2.gz ZZIQYPDMMUOFIA-LJQANCHMSA-N 2 2 379.545 2.167 50 0 GEAALP COCc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)o1 ZINC000104470719 570259403 /nfs/dbraw/zinc/25/94/03/570259403.db2.gz ZZIQYPDMMUOFIA-LJQANCHMSA-N 2 2 379.545 2.167 50 0 GEAALP CNC(=O)c1nn(C)c2c1C[C@H]([NH2+]CC[NH+]1CCC(c3ccccc3)CC1)CC2 ZINC000022893439 570333294 /nfs/dbraw/zinc/33/32/94/570333294.db2.gz YBFQBEHKVVUIMM-LJQANCHMSA-N 2 2 395.551 2.106 50 0 GEAALP CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(c3cc(N(C)C)[nH+]cn3)CC2)[C@H]1O ZINC000023367615 570357454 /nfs/dbraw/zinc/35/74/54/570357454.db2.gz APOHXRPCJLOVOM-RTWAWAEBSA-N 2 2 381.524 2.448 50 0 GEAALP CC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(c3cc(N(C)C)[nH+]cn3)CC2)[C@H]1O ZINC000023367615 570357458 /nfs/dbraw/zinc/35/74/58/570357458.db2.gz APOHXRPCJLOVOM-RTWAWAEBSA-N 2 2 381.524 2.448 50 0 GEAALP CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(c3cc(N(C)C)nc[nH+]3)CC2)[C@H]1O ZINC000023367615 570357461 /nfs/dbraw/zinc/35/74/61/570357461.db2.gz APOHXRPCJLOVOM-RTWAWAEBSA-N 2 2 381.524 2.448 50 0 GEAALP CC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(c3cc(N(C)C)nc[nH+]3)CC2)[C@H]1O ZINC000023367615 570357464 /nfs/dbraw/zinc/35/74/64/570357464.db2.gz APOHXRPCJLOVOM-RTWAWAEBSA-N 2 2 381.524 2.448 50 0 GEAALP OCc1cc(N2CCC3(CC2)c2ccccc2[C@@H](n2cc[nH+]c2)[C@@H]3O)cc[nH+]1 ZINC000023541853 570364883 /nfs/dbraw/zinc/36/48/83/570364883.db2.gz RGJWLZIGCYQNBF-RTWAWAEBSA-N 2 2 376.460 2.273 50 0 GEAALP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)N[C@]2(C[NH+]3CCC2CC3)C1=O ZINC000032916197 570927260 /nfs/dbraw/zinc/92/72/60/570927260.db2.gz YRQJWXWLIPAQKG-SFHVURJKSA-N 2 2 396.413 2.111 50 0 GEAALP C[N@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)N[C@]2(C[NH+]3CCC2CC3)C1=O ZINC000032916197 570927263 /nfs/dbraw/zinc/92/72/63/570927263.db2.gz YRQJWXWLIPAQKG-SFHVURJKSA-N 2 2 396.413 2.111 50 0 GEAALP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000107145926 570971163 /nfs/dbraw/zinc/97/11/63/570971163.db2.gz WSRPCHFPXLMXTP-SJLPKXTDSA-N 2 2 375.513 2.142 50 0 GEAALP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000107145926 570971169 /nfs/dbraw/zinc/97/11/69/570971169.db2.gz WSRPCHFPXLMXTP-SJLPKXTDSA-N 2 2 375.513 2.142 50 0 GEAALP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000252511646 570982034 /nfs/dbraw/zinc/98/20/34/570982034.db2.gz IZUIPSQIWPNMNJ-FCEUIQTBSA-N 2 2 398.595 2.181 50 0 GEAALP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000252511646 570982037 /nfs/dbraw/zinc/98/20/37/570982037.db2.gz IZUIPSQIWPNMNJ-FCEUIQTBSA-N 2 2 398.595 2.181 50 0 GEAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCSCC1 ZINC000092001447 571040393 /nfs/dbraw/zinc/04/03/93/571040393.db2.gz UTGQIHVPSNKAJQ-LJQANCHMSA-N 2 2 388.581 2.333 50 0 GEAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCSCC1 ZINC000092001447 571040398 /nfs/dbraw/zinc/04/03/98/571040398.db2.gz UTGQIHVPSNKAJQ-LJQANCHMSA-N 2 2 388.581 2.333 50 0 GEAALP CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095388808 571071538 /nfs/dbraw/zinc/07/15/38/571071538.db2.gz VPZOMFSSRPNHBU-GOSISDBHSA-N 2 2 378.480 2.492 50 0 GEAALP COc1cccc(C[N@H+](C)CC2CCCC2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095506722 571079038 /nfs/dbraw/zinc/07/90/38/571079038.db2.gz MJLCPQPKIBVIKY-FQEVSTJZSA-N 2 2 392.540 2.389 50 0 GEAALP COc1cccc(C[N@@H+](C)CC2CCCC2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095506722 571079040 /nfs/dbraw/zinc/07/90/40/571079040.db2.gz MJLCPQPKIBVIKY-FQEVSTJZSA-N 2 2 392.540 2.389 50 0 GEAALP OCC[NH+]1CCN(C2CC[NH+](Cc3ccccc3Br)CC2)CC1 ZINC000095532326 571093643 /nfs/dbraw/zinc/09/36/43/571093643.db2.gz MHFMHHVFODEDBB-UHFFFAOYSA-N 2 2 382.346 2.023 50 0 GEAALP Cc1c2[nH+]c[nH]c2cc(NC(=O)NCC[C@H]2CCC(=O)N2CC[NH+](C)C)c1C ZINC000426697581 231253561 /nfs/dbraw/zinc/25/35/61/231253561.db2.gz SOPRHYSULJEVGB-OAHLLOKOSA-N 2 2 386.500 2.244 50 0 GEAALP Cc1c2[nH]c[nH+]c2cc(NC(=O)NCC[C@H]2CCC(=O)N2CC[NH+](C)C)c1C ZINC000426697581 231253563 /nfs/dbraw/zinc/25/35/63/231253563.db2.gz SOPRHYSULJEVGB-OAHLLOKOSA-N 2 2 386.500 2.244 50 0 GEAALP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000006976969 204227625 /nfs/dbraw/zinc/22/76/25/204227625.db2.gz YAEGHXSUDLKRKV-UHFFFAOYSA-N 2 2 385.483 2.406 50 0 GEAALP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000006976969 204227628 /nfs/dbraw/zinc/22/76/28/204227628.db2.gz YAEGHXSUDLKRKV-UHFFFAOYSA-N 2 2 385.483 2.406 50 0 GEAALP Cc1cc(C)cc(N2CCC([N@@H+]3CC[C@@H]([NH+]4CCC(O)CC4)[C@H](O)C3)CC2)c1 ZINC000011821898 204355110 /nfs/dbraw/zinc/35/51/10/204355110.db2.gz FYULLVHMLWVHCB-DHIUTWEWSA-N 2 2 387.568 2.164 50 0 GEAALP Cc1cc(C)cc(N2CCC([N@H+]3CC[C@@H]([NH+]4CCC(O)CC4)[C@H](O)C3)CC2)c1 ZINC000011821898 204355114 /nfs/dbraw/zinc/35/51/14/204355114.db2.gz FYULLVHMLWVHCB-DHIUTWEWSA-N 2 2 387.568 2.164 50 0 GEAALP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000012306919 204393302 /nfs/dbraw/zinc/39/33/02/204393302.db2.gz IGOYLCXOPGDTON-FGZHOGPDSA-N 2 2 382.508 2.150 50 0 GEAALP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000012306919 204393306 /nfs/dbraw/zinc/39/33/06/204393306.db2.gz IGOYLCXOPGDTON-FGZHOGPDSA-N 2 2 382.508 2.150 50 0 GEAALP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000012306919 204393309 /nfs/dbraw/zinc/39/33/09/204393309.db2.gz IGOYLCXOPGDTON-FGZHOGPDSA-N 2 2 382.508 2.150 50 0 GEAALP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000012306919 204393312 /nfs/dbraw/zinc/39/33/12/204393312.db2.gz IGOYLCXOPGDTON-FGZHOGPDSA-N 2 2 382.508 2.150 50 0 GEAALP COCc1cc(C[N@@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)ccc1OC ZINC000012305578 204394178 /nfs/dbraw/zinc/39/41/78/204394178.db2.gz LEJMZTTWWDKFSC-FGZHOGPDSA-N 2 2 399.535 2.346 50 0 GEAALP COCc1cc(C[N@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)ccc1OC ZINC000012305578 204394183 /nfs/dbraw/zinc/39/41/83/204394183.db2.gz LEJMZTTWWDKFSC-FGZHOGPDSA-N 2 2 399.535 2.346 50 0 GEAALP COCc1cc(C[NH+]2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)ccc1OC ZINC000012305578 204394188 /nfs/dbraw/zinc/39/41/88/204394188.db2.gz LEJMZTTWWDKFSC-FGZHOGPDSA-N 2 2 399.535 2.346 50 0 GEAALP COCc1cc(C[NH+]2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)ccc1OC ZINC000012305578 204394192 /nfs/dbraw/zinc/39/41/92/204394192.db2.gz LEJMZTTWWDKFSC-FGZHOGPDSA-N 2 2 399.535 2.346 50 0 GEAALP C[C@H](c1ccc2c(c1)OCCO2)[N@H+](C)Cc1nnc(CC2CC[NH2+]CC2)n1C ZINC000055072711 205140931 /nfs/dbraw/zinc/14/09/31/205140931.db2.gz UNMUEZSUGMTLGV-OAHLLOKOSA-N 2 2 385.512 2.321 50 0 GEAALP C[C@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1nnc(CC2CC[NH2+]CC2)n1C ZINC000055072711 205140934 /nfs/dbraw/zinc/14/09/34/205140934.db2.gz UNMUEZSUGMTLGV-OAHLLOKOSA-N 2 2 385.512 2.321 50 0 GEAALP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071750613 205290533 /nfs/dbraw/zinc/29/05/33/205290533.db2.gz XQVUFGVQLLPHOV-FQEVSTJZSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071750613 205290536 /nfs/dbraw/zinc/29/05/36/205290536.db2.gz XQVUFGVQLLPHOV-FQEVSTJZSA-N 2 2 393.535 2.469 50 0 GEAALP CCCN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC2(C[N@@H+]1CCC)CC[NH+](C)CC2 ZINC000072422255 205349436 /nfs/dbraw/zinc/34/94/36/205349436.db2.gz VOCPMQCDEPDMHY-GOSISDBHSA-N 3 2 375.561 2.355 50 0 GEAALP CCCN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC2(C[N@H+]1CCC)CC[NH+](C)CC2 ZINC000072422255 205349445 /nfs/dbraw/zinc/34/94/45/205349445.db2.gz VOCPMQCDEPDMHY-GOSISDBHSA-N 3 2 375.561 2.355 50 0 GEAALP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000078950473 205377738 /nfs/dbraw/zinc/37/77/38/205377738.db2.gz WSRPCHFPXLMXTP-FUHWJXTLSA-N 2 2 375.513 2.142 50 0 GEAALP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000078950473 205377739 /nfs/dbraw/zinc/37/77/39/205377739.db2.gz WSRPCHFPXLMXTP-FUHWJXTLSA-N 2 2 375.513 2.142 50 0 GEAALP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3([NH+](C)C)CCOCC3)c2C1 ZINC000172224058 205863227 /nfs/dbraw/zinc/86/32/27/205863227.db2.gz XHCIVFQRVONKBL-UHFFFAOYSA-N 2 2 396.535 2.453 50 0 GEAALP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3([NH+](C)C)CCOCC3)c2C1 ZINC000172224058 205863232 /nfs/dbraw/zinc/86/32/32/205863232.db2.gz XHCIVFQRVONKBL-UHFFFAOYSA-N 2 2 396.535 2.453 50 0 GEAALP O=C(C[N@@H+]1CCOc2ccccc2C1)N1CCC[NH+](Cc2ccncc2)CC1 ZINC000299800025 206193654 /nfs/dbraw/zinc/19/36/54/206193654.db2.gz YXTAJUXHIGVUEY-UHFFFAOYSA-N 2 2 380.492 2.011 50 0 GEAALP O=C(C[N@H+]1CCOc2ccccc2C1)N1CCC[NH+](Cc2ccncc2)CC1 ZINC000299800025 206193657 /nfs/dbraw/zinc/19/36/57/206193657.db2.gz YXTAJUXHIGVUEY-UHFFFAOYSA-N 2 2 380.492 2.011 50 0 GEAALP O=C(C[NH+]1CCOc2ccccc2C1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299800025 206193662 /nfs/dbraw/zinc/19/36/62/206193662.db2.gz YXTAJUXHIGVUEY-UHFFFAOYSA-N 2 2 380.492 2.011 50 0 GEAALP O=C(C[NH+]1CCOc2ccccc2C1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299800025 206193665 /nfs/dbraw/zinc/19/36/65/206193665.db2.gz YXTAJUXHIGVUEY-UHFFFAOYSA-N 2 2 380.492 2.011 50 0 GEAALP Cc1nc(N2CCC([NH+]3CCN(c4cnccn4)CC3)CC2)cc(C(C)C)[nH+]1 ZINC000095531103 136181912 /nfs/dbraw/zinc/18/19/12/136181912.db2.gz UDQXXHOYFIPWDL-UHFFFAOYSA-N 2 2 381.528 2.489 50 0 GEAALP C[NH+]1CCN(c2nc(=O)c3c4c(sc3[nH]2)C[N@@H+](Cc2ccccc2)CC4)CC1 ZINC000000634206 570212427 /nfs/dbraw/zinc/21/24/27/570212427.db2.gz IKIXLYCSYBBGMI-UHFFFAOYSA-N 2 2 395.532 2.295 50 0 GEAALP C[NH+]1CCN(c2nc(=O)c3c4c(sc3[nH]2)C[N@H+](Cc2ccccc2)CC4)CC1 ZINC000000634206 570212430 /nfs/dbraw/zinc/21/24/30/570212430.db2.gz IKIXLYCSYBBGMI-UHFFFAOYSA-N 2 2 395.532 2.295 50 0 GEAALP CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)C[NH+]2CCCCCCC2)CC1 ZINC000096148951 570214545 /nfs/dbraw/zinc/21/45/45/570214545.db2.gz KXZPPJVKFWQFHX-UHFFFAOYSA-N 2 2 390.576 2.332 50 0 GEAALP Cc1ccc(C[NH+]2CCC(n3cc(C[NH+]4CCC(O)CC4)nn3)CC2)s1 ZINC000020232101 570249077 /nfs/dbraw/zinc/24/90/77/570249077.db2.gz QQOHITJJIJYBHC-UHFFFAOYSA-N 2 2 375.542 2.442 50 0 GEAALP CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CC[NH+]1CCCCC1)C2 ZINC000020706614 570275180 /nfs/dbraw/zinc/27/51/80/570275180.db2.gz YXAJOLUYKJTLLM-SFHVURJKSA-N 2 2 387.572 2.462 50 0 GEAALP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cc(=O)n4nc[nH]c4n3)CC2)C1 ZINC000102029748 570286794 /nfs/dbraw/zinc/28/67/94/570286794.db2.gz HYJHPOPCJBXVKQ-GOSISDBHSA-N 2 2 392.507 2.119 50 0 GEAALP C[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3cc(=O)n4nc[nH]c4n3)CC2)C1 ZINC000102029748 570286796 /nfs/dbraw/zinc/28/67/96/570286796.db2.gz HYJHPOPCJBXVKQ-GOSISDBHSA-N 2 2 392.507 2.119 50 0 GEAALP CC(C)(CO)C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020998712 570286955 /nfs/dbraw/zinc/28/69/55/570286955.db2.gz PYPDEAUQYQLJLO-LJQANCHMSA-N 2 2 389.540 2.016 50 0 GEAALP CC(C)(CO)C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020998712 570286958 /nfs/dbraw/zinc/28/69/58/570286958.db2.gz PYPDEAUQYQLJLO-LJQANCHMSA-N 2 2 389.540 2.016 50 0 GEAALP CC[N@@H+]1CCC[C@H](CN(C)C(=O)C[NH+]2Cc3ccc(OC)cc3O[C@@H](C)C2)C1 ZINC000215869720 570292868 /nfs/dbraw/zinc/29/28/68/570292868.db2.gz HNLLIUUYIYZGPJ-ZWKOTPCHSA-N 2 2 389.540 2.468 50 0 GEAALP CC[N@H+]1CCC[C@H](CN(C)C(=O)C[NH+]2Cc3ccc(OC)cc3O[C@@H](C)C2)C1 ZINC000215869720 570292871 /nfs/dbraw/zinc/29/28/71/570292871.db2.gz HNLLIUUYIYZGPJ-ZWKOTPCHSA-N 2 2 389.540 2.468 50 0 GEAALP CC[NH+]1CCC[C@H](CN(C)C(=O)C[N@H+]2Cc3ccc(OC)cc3O[C@@H](C)C2)C1 ZINC000215869720 570292873 /nfs/dbraw/zinc/29/28/73/570292873.db2.gz HNLLIUUYIYZGPJ-ZWKOTPCHSA-N 2 2 389.540 2.468 50 0 GEAALP CC[NH+]1CCC[C@H](CN(C)C(=O)C[N@@H+]2Cc3ccc(OC)cc3O[C@@H](C)C2)C1 ZINC000215869720 570292875 /nfs/dbraw/zinc/29/28/75/570292875.db2.gz HNLLIUUYIYZGPJ-ZWKOTPCHSA-N 2 2 389.540 2.468 50 0 GEAALP C[NH+](C)CCNC(=O)c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000034668418 570292929 /nfs/dbraw/zinc/29/29/29/570292929.db2.gz BONNVGDUHZNLMZ-UHFFFAOYSA-N 2 2 384.499 2.439 50 0 GEAALP C[C@@H](C(=O)NCC[NH+]1CCCCC1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684663 570301897 /nfs/dbraw/zinc/30/18/97/570301897.db2.gz AAVCRWMJOYELBK-KRWDZBQOSA-N 2 2 378.948 2.453 50 0 GEAALP COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1O ZINC000023375346 570358751 /nfs/dbraw/zinc/35/87/51/570358751.db2.gz KQSFGFHPTKSMAN-FQEVSTJZSA-N 2 2 391.556 2.142 50 0 GEAALP COc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1O ZINC000023375346 570358753 /nfs/dbraw/zinc/35/87/53/570358753.db2.gz KQSFGFHPTKSMAN-FQEVSTJZSA-N 2 2 391.556 2.142 50 0 GEAALP COc1ccc(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1O ZINC000023375346 570358757 /nfs/dbraw/zinc/35/87/57/570358757.db2.gz KQSFGFHPTKSMAN-FQEVSTJZSA-N 2 2 391.556 2.142 50 0 GEAALP COc1ccc(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1O ZINC000023375346 570358761 /nfs/dbraw/zinc/35/87/61/570358761.db2.gz KQSFGFHPTKSMAN-FQEVSTJZSA-N 2 2 391.556 2.142 50 0 GEAALP COCCCNC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000015066506 570876100 /nfs/dbraw/zinc/87/61/00/570876100.db2.gz BHLNGFDXUBYDJU-UHFFFAOYSA-N 2 2 388.556 2.219 50 0 GEAALP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000097164293 570900993 /nfs/dbraw/zinc/90/09/93/570900993.db2.gz FYNNLBONHPHUEV-SFHVURJKSA-N 2 2 386.540 2.379 50 0 GEAALP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000097164293 570900997 /nfs/dbraw/zinc/90/09/97/570900997.db2.gz FYNNLBONHPHUEV-SFHVURJKSA-N 2 2 386.540 2.379 50 0 GEAALP CCCC[N@@H+]1CCn2nc(CNC(=O)N[C@@H](c3[nH+]ccn3C)C(C)C)cc2C1 ZINC000534634339 570911426 /nfs/dbraw/zinc/91/14/26/570911426.db2.gz VQKRGZAXKIGRKS-GOSISDBHSA-N 2 2 387.532 2.429 50 0 GEAALP CCCC[N@H+]1CCn2nc(CNC(=O)N[C@@H](c3[nH+]ccn3C)C(C)C)cc2C1 ZINC000534634339 570911428 /nfs/dbraw/zinc/91/14/28/570911428.db2.gz VQKRGZAXKIGRKS-GOSISDBHSA-N 2 2 387.532 2.429 50 0 GEAALP OCCC[C@@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)s2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091320790 571003558 /nfs/dbraw/zinc/00/35/58/571003558.db2.gz JHENBFTXRVHWPB-APWZRJJASA-N 2 2 390.553 2.433 50 0 GEAALP OCCC[C@@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091320790 571003563 /nfs/dbraw/zinc/00/35/63/571003563.db2.gz JHENBFTXRVHWPB-APWZRJJASA-N 2 2 390.553 2.433 50 0 GEAALP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091646155 571022368 /nfs/dbraw/zinc/02/23/68/571022368.db2.gz VNOXIIOBLHMFDT-QZTJIDSGSA-N 2 2 386.496 2.081 50 0 GEAALP CCn1nc(CC(C)C)cc1C(=O)N1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000091651007 571023298 /nfs/dbraw/zinc/02/32/98/571023298.db2.gz BTBHJURFWMQOEV-GOSISDBHSA-N 2 2 375.561 2.201 50 0 GEAALP CCn1nc(CC(C)C)cc1C(=O)N1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000091651007 571023299 /nfs/dbraw/zinc/02/32/99/571023299.db2.gz BTBHJURFWMQOEV-GOSISDBHSA-N 2 2 375.561 2.201 50 0 GEAALP COCC[N@H+](C)C[C@H]1C[C@H](CO)C[NH+](Cc2ccc3cccc(F)c3n2)C1 ZINC000091859503 571033624 /nfs/dbraw/zinc/03/36/24/571033624.db2.gz PZRVYKCRIHXBHN-SJORKVTESA-N 2 2 375.488 2.383 50 0 GEAALP COCC[N@@H+](C)C[C@H]1C[C@H](CO)C[NH+](Cc2ccc3cccc(F)c3n2)C1 ZINC000091859503 571033628 /nfs/dbraw/zinc/03/36/28/571033628.db2.gz PZRVYKCRIHXBHN-SJORKVTESA-N 2 2 375.488 2.383 50 0 GEAALP COCC[NH+](C)C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc3cccc(F)c3n2)C1 ZINC000091859503 571033632 /nfs/dbraw/zinc/03/36/32/571033632.db2.gz PZRVYKCRIHXBHN-SJORKVTESA-N 2 2 375.488 2.383 50 0 GEAALP COCC[NH+](C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc3cccc(F)c3n2)C1 ZINC000091859503 571033634 /nfs/dbraw/zinc/03/36/34/571033634.db2.gz PZRVYKCRIHXBHN-SJORKVTESA-N 2 2 375.488 2.383 50 0 GEAALP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2CO)CC1 ZINC000095360141 571054631 /nfs/dbraw/zinc/05/46/31/571054631.db2.gz AQDDJMPKXOFLSX-RTBURBONSA-N 2 2 386.565 2.098 50 0 GEAALP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2CO)CC1 ZINC000095360141 571054633 /nfs/dbraw/zinc/05/46/33/571054633.db2.gz AQDDJMPKXOFLSX-RTBURBONSA-N 2 2 386.565 2.098 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000095369052 571060021 /nfs/dbraw/zinc/06/00/21/571060021.db2.gz FRKNTZMJVOOPLQ-HNNXBMFYSA-N 2 2 382.516 2.460 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000095369052 571060022 /nfs/dbraw/zinc/06/00/22/571060022.db2.gz FRKNTZMJVOOPLQ-HNNXBMFYSA-N 2 2 382.516 2.460 50 0 GEAALP COc1cc(C[NH+]2CCC(C)(C)CC2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095525986 571090814 /nfs/dbraw/zinc/09/08/14/571090814.db2.gz MEIXDVXUJLUUMM-LJQANCHMSA-N 2 2 392.540 2.389 50 0 GEAALP COc1cc(C[N@@H+]2CCCCC23CC3)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095529537 571092245 /nfs/dbraw/zinc/09/22/45/571092245.db2.gz BIMSOTOFENCQBJ-LJQANCHMSA-N 2 2 390.524 2.286 50 0 GEAALP COc1cc(C[N@H+]2CCCCC23CC3)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095529537 571092250 /nfs/dbraw/zinc/09/22/50/571092250.db2.gz BIMSOTOFENCQBJ-LJQANCHMSA-N 2 2 390.524 2.286 50 0 GEAALP Cc1ccc2[nH+]c(CNC(=O)C[C@H]3C(=O)NCC[N@H+]3CC3CCCCC3)cn2c1 ZINC000011664021 204350199 /nfs/dbraw/zinc/35/01/99/204350199.db2.gz BLKCARCBQXLYNU-IBGZPJMESA-N 2 2 397.523 2.030 50 0 GEAALP Cc1ccc2[nH+]c(CNC(=O)C[C@H]3C(=O)NCC[N@@H+]3CC3CCCCC3)cn2c1 ZINC000011664021 204350203 /nfs/dbraw/zinc/35/02/03/204350203.db2.gz BLKCARCBQXLYNU-IBGZPJMESA-N 2 2 397.523 2.030 50 0 GEAALP Cc1ccc(Oc2ncccc2CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(F)c1F ZINC000067643425 205252574 /nfs/dbraw/zinc/25/25/74/205252574.db2.gz DUVIBEYVWFNJNC-AWEZNQCLSA-N 2 2 387.390 2.370 50 0 GEAALP C[C@@H](Cn1cccn1)[NH2+]Cc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067754380 205259267 /nfs/dbraw/zinc/25/92/67/205259267.db2.gz NTDPXMZXKLRKMB-SFHVURJKSA-N 2 2 377.496 2.178 50 0 GEAALP Cc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)cc[nH+]1 ZINC000071404196 205283032 /nfs/dbraw/zinc/28/30/32/205283032.db2.gz MJCXMVQAIDTQGO-IBGZPJMESA-N 2 2 394.523 2.177 50 0 GEAALP Cc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)cc[nH+]1 ZINC000071404196 205283036 /nfs/dbraw/zinc/28/30/36/205283036.db2.gz MJCXMVQAIDTQGO-IBGZPJMESA-N 2 2 394.523 2.177 50 0 GEAALP CC(C)OCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071416345 205283411 /nfs/dbraw/zinc/28/34/11/205283411.db2.gz QXVWVUDWHNCJRP-HXUWFJFHSA-N 2 2 388.556 2.299 50 0 GEAALP CC(C)OCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071416345 205283416 /nfs/dbraw/zinc/28/34/16/205283416.db2.gz QXVWVUDWHNCJRP-HXUWFJFHSA-N 2 2 388.556 2.299 50 0 GEAALP CN(C)c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071708118 205287183 /nfs/dbraw/zinc/28/71/83/205287183.db2.gz UKKURWJWSPRBIS-GOSISDBHSA-N 2 2 385.556 2.103 50 0 GEAALP CN(C)c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071708118 205287188 /nfs/dbraw/zinc/28/71/88/205287188.db2.gz UKKURWJWSPRBIS-GOSISDBHSA-N 2 2 385.556 2.103 50 0 GEAALP O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000071748020 205289864 /nfs/dbraw/zinc/28/98/64/205289864.db2.gz KGLKFNIMJIVMDH-NRFANRHFSA-N 2 2 386.540 2.053 50 0 GEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)on1 ZINC000071752831 205291609 /nfs/dbraw/zinc/29/16/09/205291609.db2.gz HJLZHCCFCVDNOO-IBGZPJMESA-N 2 2 397.523 2.371 50 0 GEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)on1 ZINC000071752831 205291614 /nfs/dbraw/zinc/29/16/14/205291614.db2.gz HJLZHCCFCVDNOO-IBGZPJMESA-N 2 2 397.523 2.371 50 0 GEAALP COCC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071758783 205294229 /nfs/dbraw/zinc/29/42/29/205294229.db2.gz JJCDLGZRFVMPGM-LJQANCHMSA-N 2 2 388.556 2.299 50 0 GEAALP COCC(C)(C)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071758783 205294233 /nfs/dbraw/zinc/29/42/33/205294233.db2.gz JJCDLGZRFVMPGM-LJQANCHMSA-N 2 2 388.556 2.299 50 0 GEAALP C[C@@H]([NH2+]C1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1COc2ccccc21 ZINC000225634874 206062051 /nfs/dbraw/zinc/06/20/51/206062051.db2.gz HATJJSUANCIJMW-KDOFPFPSSA-N 2 2 378.480 2.486 50 0 GEAALP CCc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)nc(C)[nH+]1 ZINC000072447682 136170860 /nfs/dbraw/zinc/17/08/60/136170860.db2.gz YVECIPRODPDYEG-HXUWFJFHSA-N 2 2 375.561 2.093 50 0 GEAALP CCc1[nH]c2ccc(NC(=O)N3CCN(c4cc(C)[nH+]c(N)n4)CC3)cc2[nH+]1 ZINC000097529083 136188322 /nfs/dbraw/zinc/18/83/22/136188322.db2.gz FRRTUJZDXHCMSJ-UHFFFAOYSA-N 2 2 380.456 2.160 50 0 GEAALP CN(C)c1cc[nH+]c(N2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)n1 ZINC000096149799 536155279 /nfs/dbraw/zinc/15/52/79/536155279.db2.gz JTOHRZLVVPGICU-UHFFFAOYSA-N 2 2 384.532 2.041 50 0 GEAALP C[C@H](C(=O)NCC[NH+]1CCCCC1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684664 570301822 /nfs/dbraw/zinc/30/18/22/570301822.db2.gz AAVCRWMJOYELBK-QGZVFWFLSA-N 2 2 378.948 2.453 50 0 GEAALP CC[NH+](CC)CC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 ZINC000023354229 570356117 /nfs/dbraw/zinc/35/61/17/570356117.db2.gz ROHGXVLOJLOXAQ-LJQANCHMSA-N 2 2 397.567 2.481 50 0 GEAALP COc1ccc(Cl)cc1C(=O)NCCNc1cc(-n2cc[nH+]c2C)nc[nH+]1 ZINC000035598085 570555481 /nfs/dbraw/zinc/55/54/81/570555481.db2.gz WOIZARKTAAVFCT-UHFFFAOYSA-N 2 2 386.843 2.475 50 0 GEAALP O[C@@H](COc1cccc(C[NH2+]C2Cc3ccccc3C2)c1)C[NH+]1CCOCC1 ZINC000015061651 570874841 /nfs/dbraw/zinc/87/48/41/570874841.db2.gz QRIAPAWRSIAVHY-JOCHJYFZSA-N 2 2 382.504 2.016 50 0 GEAALP COc1ccccc1C[NH+]1CCN(C(=O)NCC2(C[NH+]3CCCC3)CC2)CC1 ZINC000534645490 570909918 /nfs/dbraw/zinc/90/99/18/570909918.db2.gz YFTBFJHDGGBEMY-UHFFFAOYSA-N 2 2 386.540 2.398 50 0 GEAALP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)nc1 ZINC000019370671 570980710 /nfs/dbraw/zinc/98/07/10/570980710.db2.gz CNRPQODIMQQMKN-AWEZNQCLSA-N 2 2 379.888 2.383 50 0 GEAALP Cc1cc2c(cc1C[N@@H+]1CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C1)OCCO2 ZINC000092046355 571042622 /nfs/dbraw/zinc/04/26/22/571042622.db2.gz XAJSXOQNAUVCKE-QUCCMNQESA-N 2 2 390.524 2.061 50 0 GEAALP Cc1cc2c(cc1C[N@H+]1CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C1)OCCO2 ZINC000092046355 571042624 /nfs/dbraw/zinc/04/26/24/571042624.db2.gz XAJSXOQNAUVCKE-QUCCMNQESA-N 2 2 390.524 2.061 50 0 GEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC000095371627 571061445 /nfs/dbraw/zinc/06/14/45/571061445.db2.gz OGEPFXIWVGHGGO-LJQANCHMSA-N 3 2 375.561 2.448 50 0 GEAALP CNC(=O)C[N@H+](C)Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095499562 571075399 /nfs/dbraw/zinc/07/53/99/571075399.db2.gz PCGDDLVLBATCMY-SFHVURJKSA-N 2 2 397.947 2.134 50 0 GEAALP CNC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095499562 571075400 /nfs/dbraw/zinc/07/54/00/571075400.db2.gz PCGDDLVLBATCMY-SFHVURJKSA-N 2 2 397.947 2.134 50 0 GEAALP Cc1cnccc1C[N@H+](C)Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000095520435 571086430 /nfs/dbraw/zinc/08/64/30/571086430.db2.gz CWSRHUXPPPOHSZ-JOCHJYFZSA-N 2 2 398.551 2.009 50 0 GEAALP Cc1cnccc1C[N@@H+](C)Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000095520435 571086431 /nfs/dbraw/zinc/08/64/31/571086431.db2.gz CWSRHUXPPPOHSZ-JOCHJYFZSA-N 2 2 398.551 2.009 50 0 GEAALP Cc1cnccc1C[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCN(C)CC2)cc1 ZINC000095520435 571086433 /nfs/dbraw/zinc/08/64/33/571086433.db2.gz CWSRHUXPPPOHSZ-JOCHJYFZSA-N 2 2 398.551 2.009 50 0 GEAALP Cc1cnccc1C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCN(C)CC2)cc1 ZINC000095520435 571086434 /nfs/dbraw/zinc/08/64/34/571086434.db2.gz CWSRHUXPPPOHSZ-JOCHJYFZSA-N 2 2 398.551 2.009 50 0 GEAALP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000426428369 529780468 /nfs/dbraw/zinc/78/04/68/529780468.db2.gz YYFMDNIWEGYFDE-GOSISDBHSA-N 2 2 383.544 2.252 50 0 GEAALP CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000426428369 529780469 /nfs/dbraw/zinc/78/04/69/529780469.db2.gz YYFMDNIWEGYFDE-GOSISDBHSA-N 2 2 383.544 2.252 50 0 GEAALP O=C(NCCc1c[nH+]c[nH]1)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731604 207026357 /nfs/dbraw/zinc/02/63/57/207026357.db2.gz BZOFLOWHSHKDEF-UONOGXRCSA-N 2 2 396.413 2.392 50 0 GEAALP O=C(NCCc1c[nH]c[nH+]1)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014731604 207026360 /nfs/dbraw/zinc/02/63/60/207026360.db2.gz BZOFLOWHSHKDEF-UONOGXRCSA-N 2 2 396.413 2.392 50 0 GEAALP Cc1c2cccc(Cl)c2[nH]c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](O)C1 ZINC000019837683 207166550 /nfs/dbraw/zinc/16/65/50/207166550.db2.gz FRJMJLKNQGXMEM-RTBURBONSA-N 2 2 376.932 2.312 50 0 GEAALP Cc1c2cccc(Cl)c2[nH]c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](O)C1 ZINC000019837683 207166553 /nfs/dbraw/zinc/16/65/53/207166553.db2.gz FRJMJLKNQGXMEM-RTBURBONSA-N 2 2 376.932 2.312 50 0 GEAALP CC[NH+]1CCN(C2CC[NH+](Cc3nc(-c4ccc(OC)cc4)no3)CC2)CC1 ZINC000019839024 207165609 /nfs/dbraw/zinc/16/56/09/207165609.db2.gz ZQZWJWYKZSLEMB-UHFFFAOYSA-N 2 2 385.512 2.347 50 0 GEAALP c1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C4CCOCC4)C3)CC2)cc2c1OCO2 ZINC000023373709 207276571 /nfs/dbraw/zinc/27/65/71/207276571.db2.gz FZLYOXFDHBMSBO-FQEVSTJZSA-N 2 2 387.524 2.176 50 0 GEAALP c1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C4CCOCC4)C3)CC2)cc2c1OCO2 ZINC000023373709 207276574 /nfs/dbraw/zinc/27/65/74/207276574.db2.gz FZLYOXFDHBMSBO-FQEVSTJZSA-N 2 2 387.524 2.176 50 0 GEAALP O=C(C[N@@H+]1CCc2ccccc2C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000024574496 207291990 /nfs/dbraw/zinc/29/19/90/207291990.db2.gz POWMSYMHGYUKIE-UHFFFAOYSA-N 2 2 393.487 2.118 50 0 GEAALP O=C(C[N@H+]1CCc2ccccc2C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000024574496 207291993 /nfs/dbraw/zinc/29/19/93/207291993.db2.gz POWMSYMHGYUKIE-UHFFFAOYSA-N 2 2 393.487 2.118 50 0 GEAALP O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000071746153 207946974 /nfs/dbraw/zinc/94/69/74/207946974.db2.gz WRBKVODOSBPAHH-OAQYLSRUSA-N 2 2 386.540 2.053 50 0 GEAALP Cc1c[nH]c(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)[nH+]1 ZINC000082109593 208079705 /nfs/dbraw/zinc/07/97/05/208079705.db2.gz JQPMBICPRLRGBG-IBGZPJMESA-N 2 2 396.539 2.106 50 0 GEAALP Cc1c[nH]c(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)[nH+]1 ZINC000082109593 208079712 /nfs/dbraw/zinc/07/97/12/208079712.db2.gz JQPMBICPRLRGBG-IBGZPJMESA-N 2 2 396.539 2.106 50 0 GEAALP CN1CC[C@]2(CN(Cc3c[nH+]cn3Cc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000091593391 208124617 /nfs/dbraw/zinc/12/46/17/208124617.db2.gz UWVUMSIBCGQDRB-QFIPXVFZSA-N 2 2 381.524 2.060 50 0 GEAALP CN1CC[C@]2(CN(Cc3c[nH+]cn3Cc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091593391 208124622 /nfs/dbraw/zinc/12/46/22/208124622.db2.gz UWVUMSIBCGQDRB-QFIPXVFZSA-N 2 2 381.524 2.060 50 0 GEAALP COc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095509404 208210186 /nfs/dbraw/zinc/21/01/86/208210186.db2.gz RURUUTFORVUJAJ-SFHVURJKSA-N 2 2 380.529 2.386 50 0 GEAALP COc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095509404 208210193 /nfs/dbraw/zinc/21/01/93/208210193.db2.gz RURUUTFORVUJAJ-SFHVURJKSA-N 2 2 380.529 2.386 50 0 GEAALP COc1cc(C[NH+]2CCOC(C)(C)C2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095509404 208210197 /nfs/dbraw/zinc/21/01/97/208210197.db2.gz RURUUTFORVUJAJ-SFHVURJKSA-N 2 2 380.529 2.386 50 0 GEAALP COc1cc(C[NH+]2CCOC(C)(C)C2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095509404 208210203 /nfs/dbraw/zinc/21/02/03/208210203.db2.gz RURUUTFORVUJAJ-SFHVURJKSA-N 2 2 380.529 2.386 50 0 GEAALP O=C(CC[C@@H]1CCC[N@H+](Cc2ncon2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095497519 208196699 /nfs/dbraw/zinc/19/66/99/208196699.db2.gz CSMHFOPLETUFQI-FQEVSTJZSA-N 2 2 397.523 2.406 50 0 GEAALP O=C(CC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095497519 208196703 /nfs/dbraw/zinc/19/67/03/208196703.db2.gz CSMHFOPLETUFQI-FQEVSTJZSA-N 2 2 397.523 2.406 50 0 GEAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH+]3CCC(F)(F)CC3)c2)CC1 ZINC000095498308 208199497 /nfs/dbraw/zinc/19/94/97/208199497.db2.gz IUULTOGIGLYYBE-IBGZPJMESA-N 2 2 397.510 2.295 50 0 GEAALP COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC000095504513 208204686 /nfs/dbraw/zinc/20/46/86/208204686.db2.gz CQPMKLAGFFUQRO-SFHVURJKSA-N 2 2 396.535 2.307 50 0 GEAALP COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC000095504513 208204691 /nfs/dbraw/zinc/20/46/91/208204691.db2.gz CQPMKLAGFFUQRO-SFHVURJKSA-N 2 2 396.535 2.307 50 0 GEAALP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000097164294 208341335 /nfs/dbraw/zinc/34/13/35/208341335.db2.gz FYNNLBONHPHUEV-GOSISDBHSA-N 2 2 386.540 2.379 50 0 GEAALP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000097164294 208341337 /nfs/dbraw/zinc/34/13/37/208341337.db2.gz FYNNLBONHPHUEV-GOSISDBHSA-N 2 2 386.540 2.379 50 0 GEAALP O=C(c1cnc(C[NH+]2CCCC2)s1)N1CC[NH+](C2CCSCC2)CC1 ZINC000097578881 208356674 /nfs/dbraw/zinc/35/66/74/208356674.db2.gz MZACDUTVCARADD-UHFFFAOYSA-N 2 2 380.583 2.392 50 0 GEAALP Nc1cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)[nH+]c(N2CCOCC2)n1 ZINC000071760971 136166161 /nfs/dbraw/zinc/16/61/61/136166161.db2.gz IVHUPNWGUZYQLU-QGZVFWFLSA-N 2 2 383.496 2.343 50 0 GEAALP CCOc1ccccc1C[N@@H+]1CCN(c2[nH+]cnc3[nH]ccc32)C[C@@H]1CCO ZINC000072410940 136169675 /nfs/dbraw/zinc/16/96/75/136169675.db2.gz AHMCRVHWSLQYLL-KRWDZBQOSA-N 2 2 381.480 2.430 50 0 GEAALP CCOc1ccccc1C[N@H+]1CCN(c2[nH+]cnc3[nH]ccc32)C[C@@H]1CCO ZINC000072410940 136169676 /nfs/dbraw/zinc/16/96/76/136169676.db2.gz AHMCRVHWSLQYLL-KRWDZBQOSA-N 2 2 381.480 2.430 50 0 GEAALP CCc1cnc(C)nc1N1CC[N@@H+](C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000072427021 136170132 /nfs/dbraw/zinc/17/01/32/136170132.db2.gz KCXCBIFCDHHDHE-HXUWFJFHSA-N 2 2 375.561 2.093 50 0 GEAALP CCc1cnc(C)nc1N1CC[N@H+](C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000072427021 136170133 /nfs/dbraw/zinc/17/01/33/136170133.db2.gz KCXCBIFCDHHDHE-HXUWFJFHSA-N 2 2 375.561 2.093 50 0 GEAALP c1ccc2c(c1)CC([N@@H+]1CCC[C@@H](Nc3cc(N4CCOCC4)[nH+]cn3)C1)C2 ZINC000072480721 136171407 /nfs/dbraw/zinc/17/14/07/136171407.db2.gz HDJRTOQXHWKPIS-LJQANCHMSA-N 2 2 379.508 2.357 50 0 GEAALP c1ccc2c(c1)CC([N@H+]1CCC[C@@H](Nc3cc(N4CCOCC4)[nH+]cn3)C1)C2 ZINC000072480721 136171408 /nfs/dbraw/zinc/17/14/08/136171408.db2.gz HDJRTOQXHWKPIS-LJQANCHMSA-N 2 2 379.508 2.357 50 0 GEAALP COC(=O)c1ccc(N2CCN(c3ccc(Cn4cc[nH+]c4)c[nH+]3)CC2)cc1 ZINC000077391725 136172106 /nfs/dbraw/zinc/17/21/06/136172106.db2.gz ALPCTGPHHYTPFP-UHFFFAOYSA-N 2 2 377.448 2.440 50 0 GEAALP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc4nncn4c(N)[nH+]3)CC2)C1 ZINC000091651427 136176822 /nfs/dbraw/zinc/17/68/22/136176822.db2.gz MDISCRBIOPHCOT-KRWDZBQOSA-N 2 2 377.496 2.412 50 0 GEAALP C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc4nncn4c(N)[nH+]3)CC2)C1 ZINC000091651427 136176823 /nfs/dbraw/zinc/17/68/23/136176823.db2.gz MDISCRBIOPHCOT-KRWDZBQOSA-N 2 2 377.496 2.412 50 0 GEAALP Cc1nc2c(c(N3CC[N@@H+](C)C4(CC[NH2+]CC4)C3)n1)Cc1ccccc1OC2 ZINC000096147991 136184451 /nfs/dbraw/zinc/18/44/51/136184451.db2.gz OQGFNHXOXLXALR-UHFFFAOYSA-N 2 2 379.508 2.142 50 0 GEAALP Cc1nc2c(c(N3CC[N@H+](C)C4(CC[NH2+]CC4)C3)n1)Cc1ccccc1OC2 ZINC000096147991 136184452 /nfs/dbraw/zinc/18/44/52/136184452.db2.gz OQGFNHXOXLXALR-UHFFFAOYSA-N 2 2 379.508 2.142 50 0 GEAALP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000048955863 570255633 /nfs/dbraw/zinc/25/56/33/570255633.db2.gz HKSHRNXVNQNNMT-HDICACEKSA-N 2 2 389.544 2.085 50 0 GEAALP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000048955863 570255638 /nfs/dbraw/zinc/25/56/38/570255638.db2.gz HKSHRNXVNQNNMT-HDICACEKSA-N 2 2 389.544 2.085 50 0 GEAALP CC[NH+]1CCN(c2ccc(C(=O)NCCCn3cc[nH+]c3C(C)C)cn2)CC1 ZINC000011817226 570584530 /nfs/dbraw/zinc/58/45/30/570584530.db2.gz ILOMIMFDAWQKND-UHFFFAOYSA-N 2 2 384.528 2.364 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(O)c(C)c3)CC2)C1 ZINC000067757836 570790206 /nfs/dbraw/zinc/79/02/06/570790206.db2.gz OWOOKVXBPYOVAA-IBGZPJMESA-N 2 2 389.540 2.140 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(O)c(C)c3)CC2)C1 ZINC000067757836 570790208 /nfs/dbraw/zinc/79/02/08/570790208.db2.gz OWOOKVXBPYOVAA-IBGZPJMESA-N 2 2 389.540 2.140 50 0 GEAALP O=C(NCc1ccon1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071707995 570843218 /nfs/dbraw/zinc/84/32/18/570843218.db2.gz XNKHATNAZJOFMT-SFHVURJKSA-N 2 2 383.496 2.062 50 0 GEAALP O=C(NCc1ccon1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071707995 570843219 /nfs/dbraw/zinc/84/32/19/570843219.db2.gz XNKHATNAZJOFMT-SFHVURJKSA-N 2 2 383.496 2.062 50 0 GEAALP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071746477 570845111 /nfs/dbraw/zinc/84/51/11/570845111.db2.gz YUQCCSQUZQZNRD-NRFANRHFSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071746477 570845113 /nfs/dbraw/zinc/84/51/13/570845113.db2.gz YUQCCSQUZQZNRD-NRFANRHFSA-N 2 2 393.535 2.469 50 0 GEAALP COCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071749457 570846399 /nfs/dbraw/zinc/84/63/99/570846399.db2.gz FUVNKKDDCLCXAP-HXUWFJFHSA-N 2 2 388.556 2.253 50 0 GEAALP COCCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071749457 570846402 /nfs/dbraw/zinc/84/64/02/570846402.db2.gz FUVNKKDDCLCXAP-HXUWFJFHSA-N 2 2 388.556 2.253 50 0 GEAALP C[N@H+](CC(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1)Cc1cccnc1 ZINC000072121945 570866992 /nfs/dbraw/zinc/86/69/92/570866992.db2.gz WRWAKUMIYMABON-QFIPXVFZSA-N 2 2 378.520 2.215 50 0 GEAALP C[N@@H+](CC(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1)Cc1cccnc1 ZINC000072121945 570866998 /nfs/dbraw/zinc/86/69/98/570866998.db2.gz WRWAKUMIYMABON-QFIPXVFZSA-N 2 2 378.520 2.215 50 0 GEAALP O=C(NC[C@@]1(O)CC[NH2+]C1)c1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000426634090 231248121 /nfs/dbraw/zinc/24/81/21/231248121.db2.gz DHWAEZFRJZMXGW-JOCHJYFZSA-N 2 2 376.460 2.053 50 0 GEAALP CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000426428370 529780491 /nfs/dbraw/zinc/78/04/91/529780491.db2.gz YYFMDNIWEGYFDE-SFHVURJKSA-N 2 2 383.544 2.252 50 0 GEAALP CN(C)c1ccc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000426428370 529780492 /nfs/dbraw/zinc/78/04/92/529780492.db2.gz YYFMDNIWEGYFDE-SFHVURJKSA-N 2 2 383.544 2.252 50 0 GEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000015068315 207043175 /nfs/dbraw/zinc/04/31/75/207043175.db2.gz SUKXXCUMGQJADE-HXUWFJFHSA-N 2 2 381.524 2.220 50 0 GEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)c3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000015068315 207043179 /nfs/dbraw/zinc/04/31/79/207043179.db2.gz SUKXXCUMGQJADE-HXUWFJFHSA-N 2 2 381.524 2.220 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](C)Cc2ccon2)ccc1OC ZINC000015069381 207043846 /nfs/dbraw/zinc/04/38/46/207043846.db2.gz FWISNGRGYSMYLR-SFHVURJKSA-N 2 2 377.485 2.397 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+](C)Cc2ccon2)ccc1OC ZINC000015069381 207043849 /nfs/dbraw/zinc/04/38/49/207043849.db2.gz FWISNGRGYSMYLR-SFHVURJKSA-N 2 2 377.485 2.397 50 0 GEAALP C[N@H+](Cc1ccccc1)C1(C(=O)NCC[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000019299907 207115165 /nfs/dbraw/zinc/11/51/65/207115165.db2.gz UAAIHYQWVYZFCQ-UHFFFAOYSA-N 2 2 393.531 2.104 50 0 GEAALP C[N@@H+](Cc1ccccc1)C1(C(=O)NCC[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000019299907 207115169 /nfs/dbraw/zinc/11/51/69/207115169.db2.gz UAAIHYQWVYZFCQ-UHFFFAOYSA-N 2 2 393.531 2.104 50 0 GEAALP CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000019852906 207165553 /nfs/dbraw/zinc/16/55/53/207165553.db2.gz HFQBIRRLZMQCDQ-GOSISDBHSA-N 2 2 399.514 2.077 50 0 GEAALP Cc1ccc(C(N)=O)c(N2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)[nH+]1 ZINC000020779293 207215324 /nfs/dbraw/zinc/21/53/24/207215324.db2.gz PZTBTRJGALRHBP-MOPGFXCFSA-N 2 2 380.492 2.004 50 0 GEAALP CCCC[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCN(CC)CC2)c(OC)c1 ZINC000020996395 207222845 /nfs/dbraw/zinc/22/28/45/207222845.db2.gz QHATXYQHAGMWQY-HXUWFJFHSA-N 2 2 393.572 2.304 50 0 GEAALP CCCC[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCN(CC)CC2)c(OC)c1 ZINC000020996395 207222847 /nfs/dbraw/zinc/22/28/47/207222847.db2.gz QHATXYQHAGMWQY-HXUWFJFHSA-N 2 2 393.572 2.304 50 0 GEAALP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000023375135 207276913 /nfs/dbraw/zinc/27/69/13/207276913.db2.gz XBHBWXCJKIAGTA-LJQANCHMSA-N 2 2 378.948 2.058 50 0 GEAALP CC[NH+]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000023375135 207276916 /nfs/dbraw/zinc/27/69/16/207276916.db2.gz XBHBWXCJKIAGTA-LJQANCHMSA-N 2 2 378.948 2.058 50 0 GEAALP O[C@@H]1CC[N@H+](Cc2cn(C3CC[NH+](Cc4ccc5[nH]ccc5c4)CC3)nn2)C1 ZINC000023620182 207280008 /nfs/dbraw/zinc/28/00/08/207280008.db2.gz FZIIRSMMRPIJJA-HXUWFJFHSA-N 2 2 380.496 2.163 50 0 GEAALP O[C@@H]1CC[N@@H+](Cc2cn(C3CC[NH+](Cc4ccc5[nH]ccc5c4)CC3)nn2)C1 ZINC000023620182 207280010 /nfs/dbraw/zinc/28/00/10/207280010.db2.gz FZIIRSMMRPIJJA-HXUWFJFHSA-N 2 2 380.496 2.163 50 0 GEAALP Cc1ccc2[nH]c(C[N@@H+]3CC[C@](O)(C[NH+]4CCOCC4)C(C)(C)C3)nc2c1C ZINC000091548155 208122331 /nfs/dbraw/zinc/12/23/31/208122331.db2.gz HGYIHMSXQXAMPZ-QFIPXVFZSA-N 2 2 386.540 2.475 50 0 GEAALP Cc1ccc2[nH]c(C[N@H+]3CC[C@](O)(C[NH+]4CCOCC4)C(C)(C)C3)nc2c1C ZINC000091548155 208122338 /nfs/dbraw/zinc/12/23/38/208122338.db2.gz HGYIHMSXQXAMPZ-QFIPXVFZSA-N 2 2 386.540 2.475 50 0 GEAALP Cc1ccc2nc(C[N@@H+]3CC[C@](O)(C[NH+]4CCOCC4)C(C)(C)C3)[nH]c2c1C ZINC000091548155 208122346 /nfs/dbraw/zinc/12/23/46/208122346.db2.gz HGYIHMSXQXAMPZ-QFIPXVFZSA-N 2 2 386.540 2.475 50 0 GEAALP Cc1ccc2nc(C[N@H+]3CC[C@](O)(C[NH+]4CCOCC4)C(C)(C)C3)[nH]c2c1C ZINC000091548155 208122352 /nfs/dbraw/zinc/12/23/52/208122352.db2.gz HGYIHMSXQXAMPZ-QFIPXVFZSA-N 2 2 386.540 2.475 50 0 GEAALP CC(C)C[N@@H+]1CCn2nc(CNC(=O)c3ccc(Cn4cc[nH+]c4)o3)cc2C1 ZINC000091746903 208135957 /nfs/dbraw/zinc/13/59/57/208135957.db2.gz VDFNREMVPRLEAF-UHFFFAOYSA-N 2 2 382.468 2.123 50 0 GEAALP CC(C)C[N@H+]1CCn2nc(CNC(=O)c3ccc(Cn4cc[nH+]c4)o3)cc2C1 ZINC000091746903 208135965 /nfs/dbraw/zinc/13/59/65/208135965.db2.gz VDFNREMVPRLEAF-UHFFFAOYSA-N 2 2 382.468 2.123 50 0 GEAALP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000089346160 208104936 /nfs/dbraw/zinc/10/49/36/208104936.db2.gz UCAZZYJWIFRTTE-UHFFFAOYSA-N 2 2 383.496 2.082 50 0 GEAALP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000089346160 208104942 /nfs/dbraw/zinc/10/49/42/208104942.db2.gz UCAZZYJWIFRTTE-UHFFFAOYSA-N 2 2 383.496 2.082 50 0 GEAALP COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095505404 208208482 /nfs/dbraw/zinc/20/84/82/208208482.db2.gz KHJCGRNWERDOFC-HXUWFJFHSA-N 3 2 393.572 2.301 50 0 GEAALP COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095505404 208208488 /nfs/dbraw/zinc/20/84/88/208208488.db2.gz KHJCGRNWERDOFC-HXUWFJFHSA-N 3 2 393.572 2.301 50 0 GEAALP COc1cccc(C[NH+]2CCCCCC2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095509400 208210769 /nfs/dbraw/zinc/21/07/69/208210769.db2.gz MCHWMCSMJKQSEH-LJQANCHMSA-N 2 2 378.513 2.143 50 0 GEAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[NH+]3CCCCC3)cc2OC)CC1 ZINC000095501263 208202475 /nfs/dbraw/zinc/20/24/75/208202475.db2.gz ANOAKURYYCSLBZ-HXUWFJFHSA-N 2 2 391.556 2.058 50 0 GEAALP COc1ccc([C@@H]2CN(C(=O)C[N@H+](C)Cc3ccncc3)C[C@H]2[NH+](C)C)cc1 ZINC000095504259 208205304 /nfs/dbraw/zinc/20/53/04/208205304.db2.gz APGZZZKHVPSZCU-LEWJYISDSA-N 2 2 382.508 2.078 50 0 GEAALP COc1ccc([C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccncc3)C[C@H]2[NH+](C)C)cc1 ZINC000095504259 208205308 /nfs/dbraw/zinc/20/53/08/208205308.db2.gz APGZZZKHVPSZCU-LEWJYISDSA-N 2 2 382.508 2.078 50 0 GEAALP O=C([C@H](c1cccnc1)[NH+]1CCCC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000095516508 208217805 /nfs/dbraw/zinc/21/78/05/208217805.db2.gz ITRHTBIQTWYFEE-NRFANRHFSA-N 2 2 380.492 2.269 50 0 GEAALP CCc1[nH+]ccn1CC(=O)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095530348 208230468 /nfs/dbraw/zinc/23/04/68/208230468.db2.gz JNGLKXRRVFZLDS-UHFFFAOYSA-N 2 2 378.480 2.492 50 0 GEAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000096165336 208282580 /nfs/dbraw/zinc/28/25/80/208282580.db2.gz AXWURAPIUDVLCZ-UHFFFAOYSA-N 2 2 377.562 2.262 50 0 GEAALP [NH3+][C@H]1C[C@@H](c2nnc(CN3CC[NH+](Cc4ccc(F)cc4)CC3)n2C2CC2)C1 ZINC000244900115 209027324 /nfs/dbraw/zinc/02/73/24/209027324.db2.gz ZWGVTCCIERKYFH-MAEOIBBWSA-N 2 2 384.503 2.275 50 0 GEAALP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH+](Cc2ccncc2)CCO3)C1 ZINC000299791997 209090466 /nfs/dbraw/zinc/09/04/66/209090466.db2.gz CQISAPVWZPCJQO-LJQANCHMSA-N 2 2 380.492 2.174 50 0 GEAALP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH+](Cc2ccncc2)CCO3)C1 ZINC000299791997 209090472 /nfs/dbraw/zinc/09/04/72/209090472.db2.gz CQISAPVWZPCJQO-LJQANCHMSA-N 2 2 380.492 2.174 50 0 GEAALP NC(=O)[C@@H]1CCC[NH+](Cc2ccc3c(c2)C[N@@H+](Cc2ccncc2)CCO3)C1 ZINC000299791997 209090475 /nfs/dbraw/zinc/09/04/75/209090475.db2.gz CQISAPVWZPCJQO-LJQANCHMSA-N 2 2 380.492 2.174 50 0 GEAALP NC(=O)[C@@H]1CCC[NH+](Cc2ccc3c(c2)C[N@H+](Cc2ccncc2)CCO3)C1 ZINC000299791997 209090477 /nfs/dbraw/zinc/09/04/77/209090477.db2.gz CQISAPVWZPCJQO-LJQANCHMSA-N 2 2 380.492 2.174 50 0 GEAALP C[C@@H](CC[NH+]1CCOCC1)NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000426409489 533586179 /nfs/dbraw/zinc/58/61/79/533586179.db2.gz RVKSMIYJVOZTDD-FKIZTMCRSA-N 2 2 386.540 2.138 50 0 GEAALP CC[NH+]1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)CC1 ZINC000065245270 136161442 /nfs/dbraw/zinc/16/14/42/136161442.db2.gz DMJBNLJPGWAXGC-KRWDZBQOSA-N 2 2 386.544 2.212 50 0 GEAALP CC[NH+]1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)CC1 ZINC000065245270 136161443 /nfs/dbraw/zinc/16/14/43/136161443.db2.gz DMJBNLJPGWAXGC-KRWDZBQOSA-N 2 2 386.544 2.212 50 0 GEAALP COc1cccc(C[N@@H+]2CCC[C@H](Nc3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000072478160 136171256 /nfs/dbraw/zinc/17/12/56/136171256.db2.gz JJOUACPKKXNFAE-SFHVURJKSA-N 2 2 383.496 2.398 50 0 GEAALP COc1cccc(C[N@H+]2CCC[C@H](Nc3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000072478160 136171257 /nfs/dbraw/zinc/17/12/57/136171257.db2.gz JJOUACPKKXNFAE-SFHVURJKSA-N 2 2 383.496 2.398 50 0 GEAALP CC(C)[NH+]1CCC([N@@H+]2CCN(c3ncnc4sccc43)C[C@H]2CCO)CC1 ZINC000106994236 136201605 /nfs/dbraw/zinc/20/16/05/136201605.db2.gz MCYCYAGSSFBAFN-QGZVFWFLSA-N 2 2 389.569 2.437 50 0 GEAALP CC(C)[NH+]1CCC([N@H+]2CCN(c3ncnc4sccc43)C[C@H]2CCO)CC1 ZINC000106994236 136201606 /nfs/dbraw/zinc/20/16/06/136201606.db2.gz MCYCYAGSSFBAFN-QGZVFWFLSA-N 2 2 389.569 2.437 50 0 GEAALP c1cn(CCCOc2ccc(C[NH+]3CCN(c4ncccn4)CC3)cc2)c[nH+]1 ZINC000215183456 136202982 /nfs/dbraw/zinc/20/29/82/136202982.db2.gz YZZUOBUGIUSAFR-UHFFFAOYSA-N 2 2 378.480 2.464 50 0 GEAALP COCCOc1cc(C)ccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000072313315 222224442 /nfs/dbraw/zinc/22/44/42/222224442.db2.gz PFWQIAQBPAMORC-UHFFFAOYSA-N 2 2 378.517 2.168 50 0 GEAALP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000039557798 534915871 /nfs/dbraw/zinc/91/58/71/534915871.db2.gz PVAMCLQJOGAXBJ-QGZVFWFLSA-N 2 2 384.528 2.362 50 0 GEAALP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CC[N@@H+](C)[C@H](C)C2)nc1 ZINC000039557798 534915881 /nfs/dbraw/zinc/91/58/81/534915881.db2.gz PVAMCLQJOGAXBJ-QGZVFWFLSA-N 2 2 384.528 2.362 50 0 GEAALP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000048955865 570255461 /nfs/dbraw/zinc/25/54/61/570255461.db2.gz HKSHRNXVNQNNMT-QZTJIDSGSA-N 2 2 389.544 2.085 50 0 GEAALP Oc1cccc(C[NH+]2CCCn3nc(C[N@H+]4[C@@H]5CC[C@H]4C[C@@H](O)C5)cc3C2)c1 ZINC000102644898 570291128 /nfs/dbraw/zinc/29/11/28/570291128.db2.gz NJRLINGSNRCTEU-NGRWLJPCSA-N 2 2 382.508 2.482 50 0 GEAALP Oc1cccc(C[NH+]2CCCn3nc(C[N@@H+]4[C@@H]5CC[C@H]4C[C@@H](O)C5)cc3C2)c1 ZINC000102644898 570291130 /nfs/dbraw/zinc/29/11/30/570291130.db2.gz NJRLINGSNRCTEU-NGRWLJPCSA-N 2 2 382.508 2.482 50 0 GEAALP Oc1cccc(C[N@H+]2CCCn3nc(C[NH+]4[C@@H]5CC[C@H]4C[C@@H](O)C5)cc3C2)c1 ZINC000102644898 570291133 /nfs/dbraw/zinc/29/11/33/570291133.db2.gz NJRLINGSNRCTEU-NGRWLJPCSA-N 2 2 382.508 2.482 50 0 GEAALP Oc1cccc(C[N@@H+]2CCCn3nc(C[NH+]4[C@@H]5CC[C@H]4C[C@@H](O)C5)cc3C2)c1 ZINC000102644898 570291135 /nfs/dbraw/zinc/29/11/35/570291135.db2.gz NJRLINGSNRCTEU-NGRWLJPCSA-N 2 2 382.508 2.482 50 0 GEAALP COc1ccccc1C[NH+]1CCN(c2nc(C[NH+]3CCCCC3)cc(=O)[nH]2)CC1 ZINC000035925338 570479580 /nfs/dbraw/zinc/47/95/80/570479580.db2.gz DMFGTMNAEDGBAK-UHFFFAOYSA-N 2 2 397.523 2.087 50 0 GEAALP Cc1ccc2c(C[NH+]3CCN(c4cc[nH+]c(N(C)C)n4)CC3)cc(=O)oc2c1 ZINC000072292473 570493467 /nfs/dbraw/zinc/49/34/67/570493467.db2.gz GHNJTEZJFCBUEK-UHFFFAOYSA-N 2 2 379.464 2.280 50 0 GEAALP CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C[NH+]2Cc3ccc(OC)cc3O[C@H](C)C2)C1 ZINC000011788703 570582967 /nfs/dbraw/zinc/58/29/67/570582967.db2.gz HNLLIUUYIYZGPJ-MSOLQXFVSA-N 2 2 389.540 2.468 50 0 GEAALP CC[N@H+]1CCC[C@@H](CN(C)C(=O)C[NH+]2Cc3ccc(OC)cc3O[C@H](C)C2)C1 ZINC000011788703 570582968 /nfs/dbraw/zinc/58/29/68/570582968.db2.gz HNLLIUUYIYZGPJ-MSOLQXFVSA-N 2 2 389.540 2.468 50 0 GEAALP CC[NH+]1CCC[C@@H](CN(C)C(=O)C[N@H+]2Cc3ccc(OC)cc3O[C@H](C)C2)C1 ZINC000011788703 570582969 /nfs/dbraw/zinc/58/29/69/570582969.db2.gz HNLLIUUYIYZGPJ-MSOLQXFVSA-N 2 2 389.540 2.468 50 0 GEAALP CC[NH+]1CCC[C@@H](CN(C)C(=O)C[N@@H+]2Cc3ccc(OC)cc3O[C@H](C)C2)C1 ZINC000011788703 570582970 /nfs/dbraw/zinc/58/29/70/570582970.db2.gz HNLLIUUYIYZGPJ-MSOLQXFVSA-N 2 2 389.540 2.468 50 0 GEAALP C[NH+](C)C[C@H]1CC[N@H+](CCNC(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225638605 570597268 /nfs/dbraw/zinc/59/72/68/570597268.db2.gz LUKPFPQRZZUTQO-LJQANCHMSA-N 2 2 376.545 2.165 50 0 GEAALP C[NH+](C)C[C@H]1CC[N@@H+](CCNC(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225638605 570597272 /nfs/dbraw/zinc/59/72/72/570597272.db2.gz LUKPFPQRZZUTQO-LJQANCHMSA-N 2 2 376.545 2.165 50 0 GEAALP CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[N@@H+]1CCc2ccccc2C1 ZINC000058222933 570721276 /nfs/dbraw/zinc/72/12/76/570721276.db2.gz GPCJYTMMWNTFSM-UHFFFAOYSA-N 2 2 376.464 2.229 50 0 GEAALP CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[N@H+]1CCc2ccccc2C1 ZINC000058222933 570721281 /nfs/dbraw/zinc/72/12/81/570721281.db2.gz GPCJYTMMWNTFSM-UHFFFAOYSA-N 2 2 376.464 2.229 50 0 GEAALP O=C(Nc1cnns1)c1ccc(C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000065470557 570770151 /nfs/dbraw/zinc/77/01/51/570770151.db2.gz KNLCFCWKVMRASM-UHFFFAOYSA-N 2 2 387.509 2.087 50 0 GEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)[nH+]cn1 ZINC000067604244 570783044 /nfs/dbraw/zinc/78/30/44/570783044.db2.gz PXHRDRSIYCEZSL-UHFFFAOYSA-N 2 2 384.390 2.211 50 0 GEAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C1)N1CCOCC1 ZINC000067695485 570787457 /nfs/dbraw/zinc/78/74/57/570787457.db2.gz MFKTWXDHKYIULA-IBGZPJMESA-N 2 2 389.515 2.361 50 0 GEAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C1)N1CCOCC1 ZINC000067695485 570787461 /nfs/dbraw/zinc/78/74/61/570787461.db2.gz MFKTWXDHKYIULA-IBGZPJMESA-N 2 2 389.515 2.361 50 0 GEAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccs3)CC2)C1)N1CCOCC1 ZINC000067965947 570798941 /nfs/dbraw/zinc/79/89/41/570798941.db2.gz YBXRJANPSRYTEN-KRWDZBQOSA-N 2 2 377.554 2.283 50 0 GEAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccs3)CC2)C1)N1CCOCC1 ZINC000067965947 570798944 /nfs/dbraw/zinc/79/89/44/570798944.db2.gz YBXRJANPSRYTEN-KRWDZBQOSA-N 2 2 377.554 2.283 50 0 GEAALP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071753370 570847825 /nfs/dbraw/zinc/84/78/25/570847825.db2.gz MCVOYGMYNHBPOI-FQEVSTJZSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071753370 570847827 /nfs/dbraw/zinc/84/78/27/570847827.db2.gz MCVOYGMYNHBPOI-FQEVSTJZSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(c1cccc(CC2CC[NH2+]CC2)c1)N1CCC(O)(Cn2cc[nH+]c2)CC1 ZINC000072165518 570876556 /nfs/dbraw/zinc/87/65/56/570876556.db2.gz CXRKPINMJLZONK-UHFFFAOYSA-N 2 2 382.508 2.093 50 0 GEAALP CCCC[N@@H+]1CCn2nc(CNC(=O)N[C@H](c3[nH+]ccn3C)C(C)C)cc2C1 ZINC000534634345 570911354 /nfs/dbraw/zinc/91/13/54/570911354.db2.gz VQKRGZAXKIGRKS-SFHVURJKSA-N 2 2 387.532 2.429 50 0 GEAALP CCCC[N@H+]1CCn2nc(CNC(=O)N[C@H](c3[nH+]ccn3C)C(C)C)cc2C1 ZINC000534634345 570911356 /nfs/dbraw/zinc/91/13/56/570911356.db2.gz VQKRGZAXKIGRKS-SFHVURJKSA-N 2 2 387.532 2.429 50 0 GEAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]C3CCCC3)cc2OC)CC1 ZINC000019218587 570962252 /nfs/dbraw/zinc/96/22/52/570962252.db2.gz IZNFXKJTBFZOJS-HXUWFJFHSA-N 2 2 391.556 2.105 50 0 GEAALP Cc1c[nH+]ccc1NCCNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000426484831 231226514 /nfs/dbraw/zinc/22/65/14/231226514.db2.gz PWMWGSMBDVUQRC-UHFFFAOYSA-N 2 2 387.915 2.405 50 0 GEAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C[C@H]2O)CC1 ZINC000020212113 207184356 /nfs/dbraw/zinc/18/43/56/207184356.db2.gz PTQGMFGGNDISDO-DNQXCXABSA-N 2 2 395.547 2.448 50 0 GEAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C[C@H]2O)CC1 ZINC000020212113 207184361 /nfs/dbraw/zinc/18/43/61/207184361.db2.gz PTQGMFGGNDISDO-DNQXCXABSA-N 2 2 395.547 2.448 50 0 GEAALP CC[NH+](CC)CC[NH2+][C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000023353771 207274227 /nfs/dbraw/zinc/27/42/27/207274227.db2.gz JGSBITJIXISGKK-INIZCTEOSA-N 2 2 387.528 2.074 50 0 GEAALP C[C@H]([NH3+])C(=O)N1CCC(n2cc(C[N@H+]3CC=C(c4ccccc4)CC3)nn2)CC1 ZINC000023581258 207280415 /nfs/dbraw/zinc/28/04/15/207280415.db2.gz YQJSCRSVKSZYFG-KRWDZBQOSA-N 2 2 394.523 2.078 50 0 GEAALP C[C@H]([NH3+])C(=O)N1CCC(n2cc(C[N@@H+]3CC=C(c4ccccc4)CC3)nn2)CC1 ZINC000023581258 207280418 /nfs/dbraw/zinc/28/04/18/207280418.db2.gz YQJSCRSVKSZYFG-KRWDZBQOSA-N 2 2 394.523 2.078 50 0 GEAALP Cc1cccc(C[NH+]2CCN(C(=O)c3cn(CC[C@@H]4CCCC[NH2+]4)nn3)CC2)c1 ZINC000072433588 208024732 /nfs/dbraw/zinc/02/47/32/208024732.db2.gz BJRKEUYNFKTFAO-FQEVSTJZSA-N 2 2 396.539 2.077 50 0 GEAALP COc1ccc(C[N@H+]2C[C@@H](C[NH+](C)C)C[C@H](CO)C2)cc1C[NH+]1CCCC1 ZINC000091270400 208114824 /nfs/dbraw/zinc/11/48/24/208114824.db2.gz FJUHVQYRGAIKMJ-UXHICEINSA-N 3 2 375.557 2.283 50 0 GEAALP COc1ccc(C[N@@H+]2C[C@@H](C[NH+](C)C)C[C@H](CO)C2)cc1C[NH+]1CCCC1 ZINC000091270400 208114829 /nfs/dbraw/zinc/11/48/29/208114829.db2.gz FJUHVQYRGAIKMJ-UXHICEINSA-N 3 2 375.557 2.283 50 0 GEAALP CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095498251 208198385 /nfs/dbraw/zinc/19/83/85/208198385.db2.gz NHNZHIFNQJOPKO-KRWDZBQOSA-N 2 2 378.480 2.492 50 0 GEAALP Cc1noc(C)c1C[N@H+]1CCC2(CC[NH+](Cc3c[nH+]cn3C)CC2)[C@@H](CO)C1 ZINC000097334309 208354956 /nfs/dbraw/zinc/35/49/56/208354956.db2.gz FQRHPWAOHRJTHP-GOSISDBHSA-N 3 2 387.528 2.122 50 0 GEAALP Cc1noc(C)c1C[N@@H+]1CCC2(CC[NH+](Cc3c[nH+]cn3C)CC2)[C@@H](CO)C1 ZINC000097334309 208354958 /nfs/dbraw/zinc/35/49/58/208354958.db2.gz FQRHPWAOHRJTHP-GOSISDBHSA-N 3 2 387.528 2.122 50 0 GEAALP NC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH+](Cc2ccncc2)CCO3)C1 ZINC000299791981 209091017 /nfs/dbraw/zinc/09/10/17/209091017.db2.gz CQISAPVWZPCJQO-IBGZPJMESA-N 2 2 380.492 2.174 50 0 GEAALP NC(=O)[C@H]1CCC[NH+](Cc2ccc3c(c2)C[N@@H+](Cc2ccncc2)CCO3)C1 ZINC000299791981 209091023 /nfs/dbraw/zinc/09/10/23/209091023.db2.gz CQISAPVWZPCJQO-IBGZPJMESA-N 2 2 380.492 2.174 50 0 GEAALP NC(=O)[C@H]1CCC[NH+](Cc2ccc3c(c2)C[N@H+](Cc2ccncc2)CCO3)C1 ZINC000299791981 209091026 /nfs/dbraw/zinc/09/10/26/209091026.db2.gz CQISAPVWZPCJQO-IBGZPJMESA-N 2 2 380.492 2.174 50 0 GEAALP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH+](Cc2ccncc2)CCO3)C1 ZINC000299791981 209091019 /nfs/dbraw/zinc/09/10/19/209091019.db2.gz CQISAPVWZPCJQO-IBGZPJMESA-N 2 2 380.492 2.174 50 0 GEAALP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000241124161 209020171 /nfs/dbraw/zinc/02/01/71/209020171.db2.gz JGALRWMSKAQAMQ-DBXWQHBBSA-N 2 2 388.531 2.421 50 0 GEAALP CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](CC)CC3)C2)nc2ccccc21 ZINC000249695363 209033030 /nfs/dbraw/zinc/03/30/30/209033030.db2.gz QVZYHWBOARCSJE-GOSISDBHSA-N 2 2 383.540 2.432 50 0 GEAALP CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH+](CC)CC3)C2)nc2ccccc21 ZINC000249695363 209033033 /nfs/dbraw/zinc/03/30/33/209033033.db2.gz QVZYHWBOARCSJE-GOSISDBHSA-N 2 2 383.540 2.432 50 0 GEAALP Cc1ccccc1Cn1nc(C[NH2+]CCC[NH2+]CCO)c(-c2ccccc2)n1 ZINC000261491720 209080106 /nfs/dbraw/zinc/08/01/06/209080106.db2.gz FLVOXDILJHDNEE-UHFFFAOYSA-N 2 2 379.508 2.363 50 0 GEAALP C[C@H](CC[NH+]1CCOCC1)NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000426409491 533918990 /nfs/dbraw/zinc/91/89/90/533918990.db2.gz RVKSMIYJVOZTDD-MUPIXQSSSA-N 2 2 386.540 2.138 50 0 GEAALP COc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)c1 ZINC000067805877 570792619 /nfs/dbraw/zinc/79/26/19/570792619.db2.gz WHYQCILRTPMMFL-IBGZPJMESA-N 2 2 394.479 2.084 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000071763777 570851119 /nfs/dbraw/zinc/85/11/19/570851119.db2.gz IFGIVLKYULQWGI-SFHVURJKSA-N 2 2 377.504 2.265 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000071763777 570851123 /nfs/dbraw/zinc/85/11/23/570851123.db2.gz IFGIVLKYULQWGI-SFHVURJKSA-N 2 2 377.504 2.265 50 0 GEAALP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccccc3N3CCCCC3)C2)CC1 ZINC000170607420 570864386 /nfs/dbraw/zinc/86/43/86/570864386.db2.gz WHNNZQAAFVGQQR-FQEVSTJZSA-N 2 2 399.583 2.327 50 0 GEAALP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3N3CCCCC3)C2)CC1 ZINC000170607420 570864388 /nfs/dbraw/zinc/86/43/88/570864388.db2.gz WHNNZQAAFVGQQR-FQEVSTJZSA-N 2 2 399.583 2.327 50 0 GEAALP CCc1[nH+]c2ccccc2n1CCC(=O)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072144603 570871103 /nfs/dbraw/zinc/87/11/03/570871103.db2.gz FNBZSHCVNUKIHU-UHFFFAOYSA-N 2 2 384.524 2.437 50 0 GEAALP CCc1oc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1C[NH+]1CCCC1 ZINC000072147191 570872142 /nfs/dbraw/zinc/87/21/42/570872142.db2.gz GYKJRJOJIROKDK-GOSISDBHSA-N 2 2 375.513 2.375 50 0 GEAALP COc1cc2c(cc1OC)C[N@H+](Cn1c3ccccc3[nH+]c1NCCO)CC2 ZINC000006497919 570929251 /nfs/dbraw/zinc/92/92/51/570929251.db2.gz KXOPWNVALUDJIX-UHFFFAOYSA-N 2 2 382.464 2.474 50 0 GEAALP COc1cc2c(cc1OC)C[N@@H+](Cn1c3ccccc3[nH+]c1NCCO)CC2 ZINC000006497919 570929253 /nfs/dbraw/zinc/92/92/53/570929253.db2.gz KXOPWNVALUDJIX-UHFFFAOYSA-N 2 2 382.464 2.474 50 0 GEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000426486433 231227466 /nfs/dbraw/zinc/22/74/66/231227466.db2.gz QPHQUNGOBAETLJ-IBGZPJMESA-N 2 2 383.540 2.194 50 0 GEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000426486433 231227468 /nfs/dbraw/zinc/22/74/68/231227468.db2.gz QPHQUNGOBAETLJ-IBGZPJMESA-N 2 2 383.540 2.194 50 0 GEAALP Cc1ccccc1C[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000426551020 231240276 /nfs/dbraw/zinc/24/02/76/231240276.db2.gz DNQCPEDBNVQSND-IBGZPJMESA-N 2 2 383.540 2.460 50 0 GEAALP Cc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000426551020 231240279 /nfs/dbraw/zinc/24/02/79/231240279.db2.gz DNQCPEDBNVQSND-IBGZPJMESA-N 2 2 383.540 2.460 50 0 GEAALP Cc1cc(C)n(CCC[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)n1 ZINC000426684376 231251237 /nfs/dbraw/zinc/25/12/37/231251237.db2.gz IUMCRFVKBMBWKI-IBGZPJMESA-N 2 2 385.560 2.494 50 0 GEAALP Cc1cc(C)n(CCC[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)n1 ZINC000426684376 231251240 /nfs/dbraw/zinc/25/12/40/231251240.db2.gz IUMCRFVKBMBWKI-IBGZPJMESA-N 2 2 385.560 2.494 50 0 GEAALP CC(C)C[N@H+]1C[C@H](C(=O)NCCc2c[nH+]c[nH]2)C[C@H](COc2cccnc2)C1 ZINC000014733692 207028418 /nfs/dbraw/zinc/02/84/18/207028418.db2.gz UCANIGKOWXIVQU-ZWKOTPCHSA-N 2 2 385.512 2.137 50 0 GEAALP CC(C)C[N@@H+]1C[C@H](C(=O)NCCc2c[nH+]c[nH]2)C[C@H](COc2cccnc2)C1 ZINC000014733692 207028423 /nfs/dbraw/zinc/02/84/23/207028423.db2.gz UCANIGKOWXIVQU-ZWKOTPCHSA-N 2 2 385.512 2.137 50 0 GEAALP CC(C)C[N@H+]1C[C@H](C(=O)NCCc2c[nH]c[nH+]2)C[C@H](COc2cccnc2)C1 ZINC000014733692 207028425 /nfs/dbraw/zinc/02/84/25/207028425.db2.gz UCANIGKOWXIVQU-ZWKOTPCHSA-N 2 2 385.512 2.137 50 0 GEAALP CC(C)C[N@@H+]1C[C@H](C(=O)NCCc2c[nH]c[nH+]2)C[C@H](COc2cccnc2)C1 ZINC000014733692 207028430 /nfs/dbraw/zinc/02/84/30/207028430.db2.gz UCANIGKOWXIVQU-ZWKOTPCHSA-N 2 2 385.512 2.137 50 0 GEAALP Cc1cccc(N2CC[NH+]([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)CC2)[nH+]1 ZINC000019336592 207117317 /nfs/dbraw/zinc/11/73/17/207117317.db2.gz UUFDUNYIUPYZKF-YADHBBJMSA-N 3 2 378.520 2.249 50 0 GEAALP CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000019852903 207165665 /nfs/dbraw/zinc/16/56/65/207165665.db2.gz HFQBIRRLZMQCDQ-SFHVURJKSA-N 2 2 399.514 2.077 50 0 GEAALP COc1ccc(C[NH+]2CCCCCC2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000020542751 207202011 /nfs/dbraw/zinc/20/20/11/207202011.db2.gz JUZVEWPISPHYDA-FQEVSTJZSA-N 2 2 391.556 2.058 50 0 GEAALP CC(C)(CO)C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020998714 207223347 /nfs/dbraw/zinc/22/33/47/207223347.db2.gz PYPDEAUQYQLJLO-IBGZPJMESA-N 2 2 389.540 2.016 50 0 GEAALP CC(C)(CO)C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020998714 207223352 /nfs/dbraw/zinc/22/33/52/207223352.db2.gz PYPDEAUQYQLJLO-IBGZPJMESA-N 2 2 389.540 2.016 50 0 GEAALP COc1ccc(F)c(F)c1C[NH+]1CCC2(CN(CC[NH+](C)C)C(=O)O2)CC1 ZINC000072424298 208022213 /nfs/dbraw/zinc/02/22/13/208022213.db2.gz AHDSJLPRALSSTR-UHFFFAOYSA-N 2 2 383.439 2.322 50 0 GEAALP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC[NH+](C)CC3)CC2)c1 ZINC000072458444 208028610 /nfs/dbraw/zinc/02/86/10/208028610.db2.gz VOVAXZJHGPIGSK-JOCHJYFZSA-N 3 2 384.568 2.198 50 0 GEAALP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)CC2)c1 ZINC000072458444 208028615 /nfs/dbraw/zinc/02/86/15/208028615.db2.gz VOVAXZJHGPIGSK-JOCHJYFZSA-N 3 2 384.568 2.198 50 0 GEAALP C[C@@H](c1ccc(C[N@@H+]2CCn3nc(CNC(=O)N(C)C)cc3C2)cc1)[NH+](C)C ZINC000082138428 208082188 /nfs/dbraw/zinc/08/21/88/208082188.db2.gz VEOHHCOJVLYBJE-INIZCTEOSA-N 2 2 384.528 2.293 50 0 GEAALP C[C@@H](c1ccc(C[N@H+]2CCn3nc(CNC(=O)N(C)C)cc3C2)cc1)[NH+](C)C ZINC000082138428 208082193 /nfs/dbraw/zinc/08/21/93/208082193.db2.gz VEOHHCOJVLYBJE-INIZCTEOSA-N 2 2 384.528 2.293 50 0 GEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000095505091 208208727 /nfs/dbraw/zinc/20/87/27/208208727.db2.gz RMGFCDJLCPRGSB-LJQANCHMSA-N 3 2 375.561 2.417 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000095391200 208177572 /nfs/dbraw/zinc/17/75/72/208177572.db2.gz GQRBOKWVJQSLBU-INIZCTEOSA-N 2 2 380.452 2.168 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000095391200 208177579 /nfs/dbraw/zinc/17/75/79/208177579.db2.gz GQRBOKWVJQSLBU-INIZCTEOSA-N 2 2 380.452 2.168 50 0 GEAALP COc1cc(C[NH+]2Cc3ccccc3C2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095517335 208216336 /nfs/dbraw/zinc/21/63/36/208216336.db2.gz HIFXLQSBIIOKIX-NRFANRHFSA-N 2 2 398.503 2.283 50 0 GEAALP CN1CC[NH+](Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000095522878 208222229 /nfs/dbraw/zinc/22/22/29/208222229.db2.gz KTWQQMSWXBOXQP-HSZRJFAPSA-N 2 2 395.547 2.232 50 0 GEAALP CN1CC[NH+](Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000095522878 208222232 /nfs/dbraw/zinc/22/22/32/208222232.db2.gz KTWQQMSWXBOXQP-HSZRJFAPSA-N 2 2 395.547 2.232 50 0 GEAALP COc1ccc(CN(C)Cc2[nH]cc[nH+]2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095531026 208229873 /nfs/dbraw/zinc/22/98/73/208229873.db2.gz VCGGNCLUSFFESJ-GOSISDBHSA-N 2 2 388.512 2.276 50 0 GEAALP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095531136 208230353 /nfs/dbraw/zinc/23/03/53/208230353.db2.gz VTAHLGLXYSGDGY-SFHVURJKSA-N 2 2 378.513 2.142 50 0 GEAALP COc1cc(C[N@H+]2CCCC2(C)C)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095531136 208230360 /nfs/dbraw/zinc/23/03/60/208230360.db2.gz VTAHLGLXYSGDGY-SFHVURJKSA-N 2 2 378.513 2.142 50 0 GEAALP Cc1ccccc1C[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1 ZINC000096180414 208283101 /nfs/dbraw/zinc/28/31/01/208283101.db2.gz MGLXOVVKLMPFOY-UHFFFAOYSA-N 2 2 383.540 2.460 50 0 GEAALP Cc1ccccc1C(=O)N1CCC2(CC[NH+](Cc3c[nH+]c[nH]3)CC2)[C@H](CO)C1 ZINC000097657303 208359297 /nfs/dbraw/zinc/35/92/97/208359297.db2.gz NCWRAMSTSMIBPZ-SFHVURJKSA-N 2 2 382.508 2.455 50 0 GEAALP CCCc1nc(N2CCC[C@@H]([NH+]3CCN(C(=O)OCC)CC3)C2)cc(C)[nH+]1 ZINC000072164681 136167181 /nfs/dbraw/zinc/16/71/81/136167181.db2.gz DGYOYYLJLGINQI-QGZVFWFLSA-N 2 2 375.517 2.480 50 0 GEAALP CCOc1ccc(C[N@@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2CCO)cc1 ZINC000072418510 136169577 /nfs/dbraw/zinc/16/95/77/136169577.db2.gz SJVKUZUHWBUKEB-KRWDZBQOSA-N 2 2 381.480 2.430 50 0 GEAALP CCOc1ccc(C[N@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2CCO)cc1 ZINC000072418510 136169578 /nfs/dbraw/zinc/16/95/78/136169578.db2.gz SJVKUZUHWBUKEB-KRWDZBQOSA-N 2 2 381.480 2.430 50 0 GEAALP Cc1ccc([C@@H]2CN(c3cc(N4CCC(O)CC4)[nH+]cn3)C[C@H]2[NH+](C)C)cc1 ZINC000077470324 136172253 /nfs/dbraw/zinc/17/22/53/136172253.db2.gz AUPRESGBGKHSOM-VQTJNVASSA-N 2 2 381.524 2.280 50 0 GEAALP Cc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)nc[nH+]1 ZINC000082157078 136174093 /nfs/dbraw/zinc/17/40/93/136174093.db2.gz UFFFKKOHLPZQLG-SFHVURJKSA-N 2 2 394.523 2.177 50 0 GEAALP Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)nc[nH+]1 ZINC000082157078 136174094 /nfs/dbraw/zinc/17/40/94/136174094.db2.gz UFFFKKOHLPZQLG-SFHVURJKSA-N 2 2 394.523 2.177 50 0 GEAALP Cc1nnc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)o1 ZINC000095501399 136180031 /nfs/dbraw/zinc/18/00/31/136180031.db2.gz UKPCEYKHIXSNMU-GOSISDBHSA-N 2 2 398.511 2.114 50 0 GEAALP Cc1nnc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)o1 ZINC000095501399 136180032 /nfs/dbraw/zinc/18/00/32/136180032.db2.gz UKPCEYKHIXSNMU-GOSISDBHSA-N 2 2 398.511 2.114 50 0 GEAALP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](CO)N(C)C3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000096131390 136184133 /nfs/dbraw/zinc/18/41/33/136184133.db2.gz GIMOBRJHZLQRNJ-UXHICEINSA-N 2 2 381.524 2.075 50 0 GEAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000096148471 136184615 /nfs/dbraw/zinc/18/46/15/136184615.db2.gz UGXBSTNEDQQLOG-UHFFFAOYSA-N 2 2 377.456 2.198 50 0 GEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)[nH+]cn1 ZINC000096544713 136187319 /nfs/dbraw/zinc/18/73/19/136187319.db2.gz NAMMLGZEQRRPKQ-MRXNPFEDSA-N 2 2 392.463 2.087 50 0 GEAALP CCc1cc(N2CCC(N3CC[NH+](CCCCOC)CC3)CC2)nc(C)[nH+]1 ZINC000096138013 536145241 /nfs/dbraw/zinc/14/52/41/536145241.db2.gz FSDAHXCMOMMERI-UHFFFAOYSA-N 2 2 375.561 2.360 50 0 GEAALP CCc1cc(N2CCC([NH+]3CCN(CCCCOC)CC3)CC2)nc(C)[nH+]1 ZINC000096138013 536145247 /nfs/dbraw/zinc/14/52/47/536145247.db2.gz FSDAHXCMOMMERI-UHFFFAOYSA-N 2 2 375.561 2.360 50 0 GEAALP NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000215961858 570293909 /nfs/dbraw/zinc/29/39/09/570293909.db2.gz ARQBFFBUHZOEKJ-NRFANRHFSA-N 2 2 376.460 2.374 50 0 GEAALP NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000215961858 570293910 /nfs/dbraw/zinc/29/39/10/570293910.db2.gz ARQBFFBUHZOEKJ-NRFANRHFSA-N 2 2 376.460 2.374 50 0 GEAALP CC[NH+]1CCN(C(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000035404090 570351261 /nfs/dbraw/zinc/35/12/61/570351261.db2.gz PUTDUKDPQNPCPJ-UHFFFAOYSA-N 2 2 379.508 2.126 50 0 GEAALP CC[NH+]1CCN(C(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000035404090 570351266 /nfs/dbraw/zinc/35/12/66/570351266.db2.gz PUTDUKDPQNPCPJ-UHFFFAOYSA-N 2 2 379.508 2.126 50 0 GEAALP COCc1noc(C[NH2+]C2CCN(c3ccc(-n4cc[nH+]c4C)cc3)CC2)n1 ZINC000023379987 570359423 /nfs/dbraw/zinc/35/94/23/570359423.db2.gz DKTNHFVVBZPSFB-UHFFFAOYSA-N 2 2 382.468 2.469 50 0 GEAALP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCN(c4ncccc4F)CC3)c2cc1C ZINC000225525516 570584123 /nfs/dbraw/zinc/58/41/23/570584123.db2.gz WMHSTUYFGMUQDB-KRWDZBQOSA-N 2 2 383.471 2.370 50 0 GEAALP CCC[N@@H+]1CCCN(c2ccc(C(=O)N(CC)Cc3[nH+]ccn3C)cn2)CC1 ZINC000011933759 570592913 /nfs/dbraw/zinc/59/29/13/570592913.db2.gz MVTVBQHRFPQKNJ-UHFFFAOYSA-N 2 2 384.528 2.400 50 0 GEAALP CCC[N@H+]1CCCN(c2ccc(C(=O)N(CC)Cc3[nH+]ccn3C)cn2)CC1 ZINC000011933759 570592916 /nfs/dbraw/zinc/59/29/16/570592916.db2.gz MVTVBQHRFPQKNJ-UHFFFAOYSA-N 2 2 384.528 2.400 50 0 GEAALP C[C@@H]([NH2+]C1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1COc2ccccc21 ZINC000225634922 570596593 /nfs/dbraw/zinc/59/65/93/570596593.db2.gz HATJJSUANCIJMW-RDTXWAMCSA-N 2 2 378.480 2.486 50 0 GEAALP C[NH+](C)C[C@@H]1CC[N@H+](CCNC(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225638579 570597283 /nfs/dbraw/zinc/59/72/83/570597283.db2.gz LUKPFPQRZZUTQO-IBGZPJMESA-N 2 2 376.545 2.165 50 0 GEAALP C[NH+](C)C[C@@H]1CC[N@@H+](CCNC(=O)NC(C)(C)COCc2ccccc2)C1 ZINC000225638579 570597288 /nfs/dbraw/zinc/59/72/88/570597288.db2.gz LUKPFPQRZZUTQO-IBGZPJMESA-N 2 2 376.545 2.165 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000012441386 570664537 /nfs/dbraw/zinc/66/45/37/570664537.db2.gz NNZTVEAFQNRBHV-LJQANCHMSA-N 3 2 390.528 2.153 50 0 GEAALP COc1c(Br)cc(Br)cc1C[NH2+]CCC[NH2+]CCO ZINC000013733110 570783575 /nfs/dbraw/zinc/78/35/75/570783575.db2.gz YFYSHFTYZFPPOD-UHFFFAOYSA-N 2 2 396.123 2.282 50 0 GEAALP O=C(CC[NH+]1CCC(O)(Cn2cc[nH+]c2)CC1)Nc1nc2ccccc2s1 ZINC000065530628 570830414 /nfs/dbraw/zinc/83/04/14/570830414.db2.gz HYPRWQNLKGQZRE-UHFFFAOYSA-N 2 2 385.493 2.349 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)c(C)o3)CC2)C1 ZINC000071315710 570832040 /nfs/dbraw/zinc/83/20/40/570832040.db2.gz JMMUEWQMEDPRNN-SFHVURJKSA-N 2 2 377.529 2.335 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)c(C)o3)CC2)C1 ZINC000071315710 570832046 /nfs/dbraw/zinc/83/20/46/570832046.db2.gz JMMUEWQMEDPRNN-SFHVURJKSA-N 2 2 377.529 2.335 50 0 GEAALP COc1cccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1OCC[NH+]1CCOCC1 ZINC000071749500 570846131 /nfs/dbraw/zinc/84/61/31/570846131.db2.gz GANFUSNSAQTDHL-JVSBHGNQSA-N 2 2 388.508 2.015 50 0 GEAALP COc1cccc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1OCC[NH+]1CCOCC1 ZINC000071749500 570846136 /nfs/dbraw/zinc/84/61/36/570846136.db2.gz GANFUSNSAQTDHL-JVSBHGNQSA-N 2 2 388.508 2.015 50 0 GEAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071765308 570851639 /nfs/dbraw/zinc/85/16/39/570851639.db2.gz ZYJCLYPJTIEXAH-OAQYLSRUSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071765308 570851642 /nfs/dbraw/zinc/85/16/42/570851642.db2.gz ZYJCLYPJTIEXAH-OAQYLSRUSA-N 2 2 393.535 2.469 50 0 GEAALP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000170601599 570859354 /nfs/dbraw/zinc/85/93/54/570859354.db2.gz SCTCFDKSEMCHLG-QGZVFWFLSA-N 2 2 385.430 2.243 50 0 GEAALP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000170601599 570859355 /nfs/dbraw/zinc/85/93/55/570859355.db2.gz SCTCFDKSEMCHLG-QGZVFWFLSA-N 2 2 385.430 2.243 50 0 GEAALP Cc1[nH+]ccn1CCCNC(=O)C1([N@H+]2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000015041894 570873603 /nfs/dbraw/zinc/87/36/03/570873603.db2.gz POBLDYQYBZPFOH-HDICACEKSA-N 2 2 396.535 2.345 50 0 GEAALP Cc1[nH+]ccn1CCCNC(=O)C1([N@@H+]2C[C@@H](C)O[C@@H](C)C2)Cc2ccccc2C1 ZINC000015041894 570873604 /nfs/dbraw/zinc/87/36/04/570873604.db2.gz POBLDYQYBZPFOH-HDICACEKSA-N 2 2 396.535 2.345 50 0 GEAALP Cc1cccc2c(O)c(C(=O)N[C@@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)cnc12 ZINC000072163776 570875593 /nfs/dbraw/zinc/87/55/93/570875593.db2.gz IFVJWVWTQXMXLR-MRXNPFEDSA-N 2 2 382.508 2.125 50 0 GEAALP Cc1cccc2c(O)c(C(=O)N[C@@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)cnc12 ZINC000072163776 570875595 /nfs/dbraw/zinc/87/55/95/570875595.db2.gz IFVJWVWTQXMXLR-MRXNPFEDSA-N 2 2 382.508 2.125 50 0 GEAALP C[NH+]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CC[NH2+]CC2)CC1 ZINC000015722085 207055216 /nfs/dbraw/zinc/05/52/16/207055216.db2.gz JHBYWXBJPKYZHX-UHFFFAOYSA-N 2 2 387.915 2.380 50 0 GEAALP CCn1c2ccccc2nc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000020453534 207194604 /nfs/dbraw/zinc/19/46/04/207194604.db2.gz NYKGSNWNBZVKMQ-IBGZPJMESA-N 2 2 385.556 2.019 50 0 GEAALP CCn1c2ccccc2nc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000020453534 207194608 /nfs/dbraw/zinc/19/46/08/207194608.db2.gz NYKGSNWNBZVKMQ-IBGZPJMESA-N 2 2 385.556 2.019 50 0 GEAALP O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023694100 207281500 /nfs/dbraw/zinc/28/15/00/207281500.db2.gz SKZBNUNFBCIVBU-UHFFFAOYSA-N 2 2 394.519 2.280 50 0 GEAALP CC(C)([NH3+])c1cn(C2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)nn1 ZINC000023479012 207278655 /nfs/dbraw/zinc/27/86/55/207278655.db2.gz UJVWLRKODHXJTG-UHFFFAOYSA-N 2 2 379.468 2.135 50 0 GEAALP CCSc1ncc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C)CC2)cn1 ZINC000077488282 208047273 /nfs/dbraw/zinc/04/72/73/208047273.db2.gz BRKSDLLMIHITLF-UHFFFAOYSA-N 2 2 375.546 2.158 50 0 GEAALP C[N@@H+](CCc1ccccc1)CCN1CC2(CC[NH+](CC(C)(C)[NH3+])CC2)OC1=O ZINC000072463659 208031602 /nfs/dbraw/zinc/03/16/02/208031602.db2.gz ULNWQTXZFZWJAU-UHFFFAOYSA-N 3 2 388.556 2.185 50 0 GEAALP C[N@H+](CCc1ccccc1)CCN1CC2(CC[NH+](CC(C)(C)[NH3+])CC2)OC1=O ZINC000072463659 208031607 /nfs/dbraw/zinc/03/16/07/208031607.db2.gz ULNWQTXZFZWJAU-UHFFFAOYSA-N 3 2 388.556 2.185 50 0 GEAALP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000078950469 208066777 /nfs/dbraw/zinc/06/67/77/208066777.db2.gz WSRPCHFPXLMXTP-WMZOPIPTSA-N 2 2 375.513 2.142 50 0 GEAALP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000078950469 208066782 /nfs/dbraw/zinc/06/67/82/208066782.db2.gz WSRPCHFPXLMXTP-WMZOPIPTSA-N 2 2 375.513 2.142 50 0 GEAALP C[C@@H]1C[N@H+](Cc2ccccc2OCC[NH+]2CCN(C)CC2)CC[C@@]1(O)C1CC1 ZINC000091594442 208125215 /nfs/dbraw/zinc/12/52/15/208125215.db2.gz XSKWJUDIQALZLW-XXBNENTESA-N 2 2 387.568 2.296 50 0 GEAALP C[C@@H]1C[N@@H+](Cc2ccccc2OCC[NH+]2CCN(C)CC2)CC[C@@]1(O)C1CC1 ZINC000091594442 208125221 /nfs/dbraw/zinc/12/52/21/208125221.db2.gz XSKWJUDIQALZLW-XXBNENTESA-N 2 2 387.568 2.296 50 0 GEAALP C[N@H+](CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1)Cc1ccccc1F ZINC000091595564 208125448 /nfs/dbraw/zinc/12/54/48/208125448.db2.gz ALGXVACREDLKHB-WOJBJXKFSA-N 2 2 391.531 2.200 50 0 GEAALP C[N@@H+](CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1)Cc1ccccc1F ZINC000091595564 208125452 /nfs/dbraw/zinc/12/54/52/208125452.db2.gz ALGXVACREDLKHB-WOJBJXKFSA-N 2 2 391.531 2.200 50 0 GEAALP CC[NH+]1CCN(C[C@@H]2CN(c3cc(C(F)(F)F)cc(C)[nH+]3)C[C@@H]2CO)CC1 ZINC000095388282 208174913 /nfs/dbraw/zinc/17/49/13/208174913.db2.gz ZBGZCEXBQLRLRR-HZPDHXFCSA-N 2 2 386.462 2.091 50 0 GEAALP CCN1CC[NH+](C[C@@H]2CN(c3cc(C(F)(F)F)cc(C)[nH+]3)C[C@@H]2CO)CC1 ZINC000095388282 208174920 /nfs/dbraw/zinc/17/49/20/208174920.db2.gz ZBGZCEXBQLRLRR-HZPDHXFCSA-N 2 2 386.462 2.091 50 0 GEAALP CCn1cc[nH+]c1CN1C(=O)N(CCc2ccccc2)C2(CC[NH2+]CC2)C1=O ZINC000095384381 208173902 /nfs/dbraw/zinc/17/39/02/208173902.db2.gz WPWNNQKANWFSBY-UHFFFAOYSA-N 2 2 381.480 2.032 50 0 GEAALP COc1c(C)c[nH+]c(CN2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)c1C ZINC000091914916 208141707 /nfs/dbraw/zinc/14/17/07/208141707.db2.gz RZHZRYLCCUFHEL-QUCCMNQESA-N 2 2 377.529 2.002 50 0 GEAALP COc1ccc(C[N@@H+]2CCOC(C)(C)C2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095497636 208197271 /nfs/dbraw/zinc/19/72/71/208197271.db2.gz RWNUKWOBGLGGFP-GOSISDBHSA-N 2 2 378.513 2.142 50 0 GEAALP COc1ccc(C[N@H+]2CCOC(C)(C)C2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095497636 208197277 /nfs/dbraw/zinc/19/72/77/208197277.db2.gz RWNUKWOBGLGGFP-GOSISDBHSA-N 2 2 378.513 2.142 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1OC ZINC000095510872 208212372 /nfs/dbraw/zinc/21/23/72/208212372.db2.gz YYZAXRMCKXIOLH-SFHVURJKSA-N 2 2 380.529 2.388 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1OC ZINC000095510872 208212379 /nfs/dbraw/zinc/21/23/79/208212379.db2.gz YYZAXRMCKXIOLH-SFHVURJKSA-N 2 2 380.529 2.388 50 0 GEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000095521897 208218696 /nfs/dbraw/zinc/21/86/96/208218696.db2.gz XHNUIFVUGCESPU-MRXNPFEDSA-N 2 2 381.484 2.126 50 0 GEAALP COc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095525865 208223189 /nfs/dbraw/zinc/22/31/89/208223189.db2.gz UWYMTAGWVMDGIX-LJQANCHMSA-N 2 2 388.512 2.276 50 0 GEAALP COc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095525865 208223196 /nfs/dbraw/zinc/22/31/96/208223196.db2.gz UWYMTAGWVMDGIX-LJQANCHMSA-N 2 2 388.512 2.276 50 0 GEAALP CCc1[nH+]c(C)ccc1OCC(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2C ZINC000095527297 208226510 /nfs/dbraw/zinc/22/65/10/208226510.db2.gz CMGGBIZTIMKXLT-UHFFFAOYSA-N 2 2 383.496 2.060 50 0 GEAALP CCc1[nH+]c(C)ccc1OCC(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2C ZINC000095527297 208226513 /nfs/dbraw/zinc/22/65/13/208226513.db2.gz CMGGBIZTIMKXLT-UHFFFAOYSA-N 2 2 383.496 2.060 50 0 GEAALP COCCn1c(C[N@H+](C)Cc2ccnc3ccccc23)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244882726 209024511 /nfs/dbraw/zinc/02/45/11/209024511.db2.gz XXKLUGVEVFEFSA-CALCHBBNSA-N 2 2 380.496 2.309 50 0 GEAALP COCCn1c(C[N@@H+](C)Cc2ccnc3ccccc23)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244882726 209024514 /nfs/dbraw/zinc/02/45/14/209024514.db2.gz XXKLUGVEVFEFSA-CALCHBBNSA-N 2 2 380.496 2.309 50 0 GEAALP COC(=O)CC1CC[NH+](Cc2oc(C[NH+]3CCCCC3)cc(=O)c2O)CC1 ZINC000253402234 209039321 /nfs/dbraw/zinc/03/93/21/209039321.db2.gz GEHUTGJDKPZKJP-UHFFFAOYSA-N 2 2 378.469 2.106 50 0 GEAALP COCCn1cc[nH+]c1[C@H]1CCCN(c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000095530535 136181975 /nfs/dbraw/zinc/18/19/75/136181975.db2.gz FEUZWMKYNGKZMH-IBGZPJMESA-N 2 2 385.512 2.141 50 0 GEAALP O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000010175137 526782619 /nfs/dbraw/zinc/78/26/19/526782619.db2.gz OJRAPYRUYZDZDB-UHFFFAOYSA-N 2 2 378.520 2.153 50 0 GEAALP O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025248704 570409238 /nfs/dbraw/zinc/40/92/38/570409238.db2.gz TXJAKFWQPUDPRK-UHFFFAOYSA-N 2 2 377.448 2.030 50 0 GEAALP CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000011718558 570581178 /nfs/dbraw/zinc/58/11/78/570581178.db2.gz SQRYJKSRAMAXON-KRWDZBQOSA-N 2 2 375.561 2.390 50 0 GEAALP CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000011718558 570581181 /nfs/dbraw/zinc/58/11/81/570581181.db2.gz SQRYJKSRAMAXON-KRWDZBQOSA-N 2 2 375.561 2.390 50 0 GEAALP COc1cc(C[NH2+]C(C2CC2)C2CC2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000011813908 570583347 /nfs/dbraw/zinc/58/33/47/570583347.db2.gz BRNRBURGGLVIGA-IBGZPJMESA-N 2 2 390.524 2.045 50 0 GEAALP COc1cc(C[NH2+]CC2CCCCC2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000011879363 570590985 /nfs/dbraw/zinc/59/09/85/570590985.db2.gz VYNXMYWYWQAHNQ-FQEVSTJZSA-N 2 2 392.540 2.437 50 0 GEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)C3([NH+]4CCCC4)CCCCC3)C2)CC1 ZINC000012431331 570659679 /nfs/dbraw/zinc/65/96/79/570659679.db2.gz YCLUZZSJZPWLPI-LJQANCHMSA-N 3 2 376.589 2.460 50 0 GEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)C3([NH+]4CCCC4)CCCCC3)C2)CC1 ZINC000012431331 570659680 /nfs/dbraw/zinc/65/96/80/570659680.db2.gz YCLUZZSJZPWLPI-LJQANCHMSA-N 3 2 376.589 2.460 50 0 GEAALP O=C(NC1CC1)C1CC[NH+](C2CC[NH+](Cc3cccc4nonc43)CC2)CC1 ZINC000055252908 570688853 /nfs/dbraw/zinc/68/88/53/570688853.db2.gz PPWCRIBRJYTQLF-UHFFFAOYSA-N 2 2 383.496 2.178 50 0 GEAALP O[C@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000058120616 570709929 /nfs/dbraw/zinc/70/99/29/570709929.db2.gz RJSXYSSAOKUVLJ-HSZRJFAPSA-N 2 2 395.547 2.087 50 0 GEAALP Cc1nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257313 570755962 /nfs/dbraw/zinc/75/59/62/570755962.db2.gz OWMWJJLTEHHDRE-UHFFFAOYSA-N 2 2 382.512 2.124 50 0 GEAALP CCn1nc(CC(C)C)cc1C(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067805483 570792464 /nfs/dbraw/zinc/79/24/64/570792464.db2.gz WVJVLMPXYBKLHG-UHFFFAOYSA-N 2 2 375.561 2.344 50 0 GEAALP CCn1nc(CC(C)C)cc1C(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067805483 570792468 /nfs/dbraw/zinc/79/24/68/570792468.db2.gz WVJVLMPXYBKLHG-UHFFFAOYSA-N 2 2 375.561 2.344 50 0 GEAALP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc2c(c1)OCO2 ZINC000032776791 570798836 /nfs/dbraw/zinc/79/88/36/570798836.db2.gz XKTCRMWCPVIPDF-UHFFFAOYSA-N 2 2 396.491 2.371 50 0 GEAALP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc2c(c1)OCO2 ZINC000032776791 570798841 /nfs/dbraw/zinc/79/88/41/570798841.db2.gz XKTCRMWCPVIPDF-UHFFFAOYSA-N 2 2 396.491 2.371 50 0 GEAALP Cc1[nH+]c[nH]c1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071721252 570844184 /nfs/dbraw/zinc/84/41/84/570844184.db2.gz GZSMAIWHUFZJDR-LJQANCHMSA-N 2 2 396.539 2.106 50 0 GEAALP Cc1[nH+]c[nH]c1CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071721252 570844186 /nfs/dbraw/zinc/84/41/86/570844186.db2.gz GZSMAIWHUFZJDR-LJQANCHMSA-N 2 2 396.539 2.106 50 0 GEAALP C[N@H+](CC(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1)Cc1cccnc1 ZINC000072121944 570867113 /nfs/dbraw/zinc/86/71/13/570867113.db2.gz WRWAKUMIYMABON-JOCHJYFZSA-N 2 2 378.520 2.215 50 0 GEAALP C[N@@H+](CC(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1)Cc1cccnc1 ZINC000072121944 570867115 /nfs/dbraw/zinc/86/71/15/570867115.db2.gz WRWAKUMIYMABON-JOCHJYFZSA-N 2 2 378.520 2.215 50 0 GEAALP CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(C(=O)c1ccccc1-c1[nH+]ccn1C)C2 ZINC000072140251 570870098 /nfs/dbraw/zinc/87/00/98/570870098.db2.gz KTFHRPNJDLEFJH-GCJKJVERSA-N 2 2 396.491 2.235 50 0 GEAALP C[N@@H+]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000045968911 571008716 /nfs/dbraw/zinc/00/87/16/571008716.db2.gz VUMQJFYGYKFRHY-HXUWFJFHSA-N 2 2 395.507 2.117 50 0 GEAALP C[N@H+]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000045968911 571008722 /nfs/dbraw/zinc/00/87/22/571008722.db2.gz VUMQJFYGYKFRHY-HXUWFJFHSA-N 2 2 395.507 2.117 50 0 GEAALP Nc1cc[nH+]cc1-c1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000426518371 231233680 /nfs/dbraw/zinc/23/36/80/231233680.db2.gz SJDYZKGSCOQINP-LJQANCHMSA-N 2 2 380.492 2.488 50 0 GEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cccc(Cn4cccn4)c3)C2)CC1 ZINC000015075596 207046524 /nfs/dbraw/zinc/04/65/24/207046524.db2.gz OSRYNDLBGPUOPL-HXUWFJFHSA-N 2 2 381.524 2.220 50 0 GEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)c3cccc(Cn4cccn4)c3)C2)CC1 ZINC000015075596 207046529 /nfs/dbraw/zinc/04/65/29/207046529.db2.gz OSRYNDLBGPUOPL-HXUWFJFHSA-N 2 2 381.524 2.220 50 0 GEAALP OCC[NH+]1CCN(C2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000019868388 207168337 /nfs/dbraw/zinc/16/83/37/207168337.db2.gz KWNQBMYFBQSGIV-UHFFFAOYSA-N 2 2 382.346 2.023 50 0 GEAALP Cc1c[nH+]c(N2CCC3(CC2)c2ccccc2[C@@H](n2cc[nH+]c2)[C@@H]3O)nc1N ZINC000020254854 207185457 /nfs/dbraw/zinc/18/54/57/207185457.db2.gz QOKPKQXXYCMHQT-MSOLQXFVSA-N 2 2 376.464 2.066 50 0 GEAALP O=C(NCC[NH+]1CCOCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020512614 207199377 /nfs/dbraw/zinc/19/93/77/207199377.db2.gz OGHAPALCPNGXRZ-UHFFFAOYSA-N 2 2 379.504 2.307 50 0 GEAALP O=C(NCC[NH+]1CCOCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020512614 207199381 /nfs/dbraw/zinc/19/93/81/207199381.db2.gz OGHAPALCPNGXRZ-UHFFFAOYSA-N 2 2 379.504 2.307 50 0 GEAALP Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@H](O)CN2CC[NH+](C)CC2)[C@@H]3CCC1 ZINC000022581847 207256633 /nfs/dbraw/zinc/25/66/33/207256633.db2.gz ZJUNKOUVYZCWIZ-XMSQKQJNSA-N 2 2 382.552 2.251 50 0 GEAALP Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@H](O)CN2CC[NH+](C)CC2)[C@@H]3CCC1 ZINC000022581847 207256636 /nfs/dbraw/zinc/25/66/36/207256636.db2.gz ZJUNKOUVYZCWIZ-XMSQKQJNSA-N 2 2 382.552 2.251 50 0 GEAALP CCCN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC2(C[N@@H+]1CCC)CC[NH+](C)CC2 ZINC000072422256 208021526 /nfs/dbraw/zinc/02/15/26/208021526.db2.gz VOCPMQCDEPDMHY-SFHVURJKSA-N 3 2 375.561 2.355 50 0 GEAALP CCCN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC2(C[N@H+]1CCC)CC[NH+](C)CC2 ZINC000072422256 208021530 /nfs/dbraw/zinc/02/15/30/208021530.db2.gz VOCPMQCDEPDMHY-SFHVURJKSA-N 3 2 375.561 2.355 50 0 GEAALP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095355745 208158948 /nfs/dbraw/zinc/15/89/48/208158948.db2.gz JOIAGTWJLATWBT-FUHWJXTLSA-N 2 2 384.480 2.240 50 0 GEAALP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095355745 208158955 /nfs/dbraw/zinc/15/89/55/208158955.db2.gz JOIAGTWJLATWBT-FUHWJXTLSA-N 2 2 384.480 2.240 50 0 GEAALP CN1CC[NH+](Cc2ccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000095507836 208207966 /nfs/dbraw/zinc/20/79/66/208207966.db2.gz OXYMVKQOQGQIFQ-QHCPKHFHSA-N 2 2 395.547 2.232 50 0 GEAALP CN1CC[NH+](Cc2ccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000095507836 208207973 /nfs/dbraw/zinc/20/79/73/208207973.db2.gz OXYMVKQOQGQIFQ-QHCPKHFHSA-N 2 2 395.547 2.232 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000095391199 208178794 /nfs/dbraw/zinc/17/87/94/208178794.db2.gz GQRBOKWVJQSLBU-MRXNPFEDSA-N 2 2 380.452 2.168 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000095391199 208178801 /nfs/dbraw/zinc/17/88/01/208178801.db2.gz GQRBOKWVJQSLBU-MRXNPFEDSA-N 2 2 380.452 2.168 50 0 GEAALP C[NH+]1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3c[nH]cn3)CC2)CC1 ZINC000095497091 208197792 /nfs/dbraw/zinc/19/77/92/208197792.db2.gz RLAASYLTWUSUET-UHFFFAOYSA-N 2 2 396.539 2.253 50 0 GEAALP C[NH+]1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3cnc[nH]3)CC2)CC1 ZINC000095497091 208197798 /nfs/dbraw/zinc/19/77/98/208197798.db2.gz RLAASYLTWUSUET-UHFFFAOYSA-N 2 2 396.539 2.253 50 0 GEAALP CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095525051 208221813 /nfs/dbraw/zinc/22/18/13/208221813.db2.gz REYMJDMVIFGZME-GOSISDBHSA-N 2 2 378.480 2.492 50 0 GEAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000095525152 208222598 /nfs/dbraw/zinc/22/25/98/208222598.db2.gz AIFNHLLEPQRKOL-UHFFFAOYSA-N 2 2 384.480 2.236 50 0 GEAALP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000096012396 208254189 /nfs/dbraw/zinc/25/41/89/208254189.db2.gz IZUIPSQIWPNMNJ-HJNYFJLDSA-N 2 2 398.595 2.181 50 0 GEAALP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000096012396 208254192 /nfs/dbraw/zinc/25/41/92/208254192.db2.gz IZUIPSQIWPNMNJ-HJNYFJLDSA-N 2 2 398.595 2.181 50 0 GEAALP Cn1c(C[N@H+](C)CCO)nnc1C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000096141863 208270990 /nfs/dbraw/zinc/27/09/90/208270990.db2.gz WIGHAKQCUKCGRO-UHFFFAOYSA-N 2 2 383.496 2.365 50 0 GEAALP Cn1c(C[N@@H+](C)CCO)nnc1C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000096141863 208270996 /nfs/dbraw/zinc/27/09/96/208270996.db2.gz WIGHAKQCUKCGRO-UHFFFAOYSA-N 2 2 383.496 2.365 50 0 GEAALP CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000248081928 209028721 /nfs/dbraw/zinc/02/87/21/209028721.db2.gz QKOAKWIVMLLXHV-SFHVURJKSA-N 2 2 383.540 2.340 50 0 GEAALP CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000248081928 209028726 /nfs/dbraw/zinc/02/87/26/209028726.db2.gz QKOAKWIVMLLXHV-SFHVURJKSA-N 2 2 383.540 2.340 50 0 GEAALP COc1ccccc1C(=O)N1CCN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000077520637 136172372 /nfs/dbraw/zinc/17/23/72/136172372.db2.gz MGMGGTGESHXVPR-UHFFFAOYSA-N 2 2 377.448 2.297 50 0 GEAALP [NH3+][C@@H]1CCN(C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000237981605 136192367 /nfs/dbraw/zinc/19/23/67/136192367.db2.gz SMAZOMLLBXXAAA-GOSISDBHSA-N 2 2 399.926 2.230 50 0 GEAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3nc4ccccc4n3C)C[C@@H]2CCO)CC1 ZINC000019220159 519669818 /nfs/dbraw/zinc/66/98/18/519669818.db2.gz JXEUCECBRHTQIY-FQEVSTJZSA-N 2 2 399.583 2.315 50 0 GEAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3nc4ccccc4n3C)C[C@@H]2CCO)CC1 ZINC000019220159 519669820 /nfs/dbraw/zinc/66/98/20/519669820.db2.gz JXEUCECBRHTQIY-FQEVSTJZSA-N 2 2 399.583 2.315 50 0 GEAALP Cc1nc(N2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)c2c([nH+]1)CCC2 ZINC000426707407 534621153 /nfs/dbraw/zinc/62/11/53/534621153.db2.gz KOQCVYCMYPAWLE-INIZCTEOSA-N 2 2 381.528 2.382 50 0 GEAALP C[C@@H]1C[N@@H+](C2CCN(C(=O)CC3=CSC4=[NH+]CCCN34)CC2)C[C@H](C)O1 ZINC000102728155 570291885 /nfs/dbraw/zinc/29/18/85/570291885.db2.gz WACOLYIVZBJRSY-GASCZTMLSA-N 2 2 378.542 2.127 50 0 GEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc3c(c2)OCO3)[nH+]c(C)n1 ZINC000035598187 570400904 /nfs/dbraw/zinc/40/09/04/570400904.db2.gz XJTCGQCCIDLTBS-UHFFFAOYSA-N 2 2 395.423 2.241 50 0 GEAALP CC[NH+]1CCN(c2nc3[nH]nc(N)c3c3c2C[N@@H+](C2CCCCC2)CC3)CC1 ZINC000005209755 570506911 /nfs/dbraw/zinc/50/69/11/570506911.db2.gz WVVIHXRUTOHJJA-UHFFFAOYSA-N 2 2 383.544 2.373 50 0 GEAALP CC[NH+]1CCN(c2nc3[nH]nc(N)c3c3c2C[N@H+](C2CCCCC2)CC3)CC1 ZINC000005209755 570506914 /nfs/dbraw/zinc/50/69/14/570506914.db2.gz WVVIHXRUTOHJJA-UHFFFAOYSA-N 2 2 383.544 2.373 50 0 GEAALP CC[NH+]1CCN(c2nc3n[nH]c(N)c3c3c2C[N@@H+](C2CCCCC2)CC3)CC1 ZINC000005209755 570506917 /nfs/dbraw/zinc/50/69/17/570506917.db2.gz WVVIHXRUTOHJJA-UHFFFAOYSA-N 2 2 383.544 2.373 50 0 GEAALP CC[NH+]1CCN(c2nc3n[nH]c(N)c3c3c2C[N@H+](C2CCCCC2)CC3)CC1 ZINC000005209755 570506919 /nfs/dbraw/zinc/50/69/19/570506919.db2.gz WVVIHXRUTOHJJA-UHFFFAOYSA-N 2 2 383.544 2.373 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000067560513 570781471 /nfs/dbraw/zinc/78/14/71/570781471.db2.gz IHQIUJGKLVJHPR-LJQANCHMSA-N 2 2 389.540 2.134 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000067560513 570781474 /nfs/dbraw/zinc/78/14/74/570781474.db2.gz IHQIUJGKLVJHPR-LJQANCHMSA-N 2 2 389.540 2.134 50 0 GEAALP CCOc1ccc(C(=O)N2CCN(c3cc(-n4cc[nH+]c4C)nc[nH+]3)CC2)cc1 ZINC000067604869 570783228 /nfs/dbraw/zinc/78/32/28/570783228.db2.gz YKHZVPQBCBECSK-UHFFFAOYSA-N 2 2 392.463 2.332 50 0 GEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)[nH+]cn1 ZINC000067622998 570783831 /nfs/dbraw/zinc/78/38/31/570783831.db2.gz IAJNKAOAIWPHJH-UHFFFAOYSA-N 2 2 380.427 2.001 50 0 GEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000071419247 570833490 /nfs/dbraw/zinc/83/34/90/570833490.db2.gz BLHDZBRDMHRKQE-IBGZPJMESA-N 2 2 397.523 2.371 50 0 GEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000071419247 570833493 /nfs/dbraw/zinc/83/34/93/570833493.db2.gz BLHDZBRDMHRKQE-IBGZPJMESA-N 2 2 397.523 2.371 50 0 GEAALP COCC(C)(C)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071746969 570845192 /nfs/dbraw/zinc/84/51/92/570845192.db2.gz MWGDXPUYMAULSB-IBGZPJMESA-N 2 2 388.556 2.299 50 0 GEAALP COCC(C)(C)NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071746969 570845193 /nfs/dbraw/zinc/84/51/93/570845193.db2.gz MWGDXPUYMAULSB-IBGZPJMESA-N 2 2 388.556 2.299 50 0 GEAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCOCC1 ZINC000071755126 570848474 /nfs/dbraw/zinc/84/84/74/570848474.db2.gz NGCZYZHLGXUQMN-FQEVSTJZSA-N 2 2 386.540 2.007 50 0 GEAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCOCC1 ZINC000071755126 570848478 /nfs/dbraw/zinc/84/84/78/570848478.db2.gz NGCZYZHLGXUQMN-FQEVSTJZSA-N 2 2 386.540 2.007 50 0 GEAALP Cc1[nH+]ccn1CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071762470 570850318 /nfs/dbraw/zinc/85/03/18/570850318.db2.gz HDCZCROENMNURC-HXUWFJFHSA-N 3 2 387.572 2.380 50 0 GEAALP Cc1[nH+]ccn1CCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071762470 570850321 /nfs/dbraw/zinc/85/03/21/570850321.db2.gz HDCZCROENMNURC-HXUWFJFHSA-N 3 2 387.572 2.380 50 0 GEAALP CCc1cccc(OC2CN(C(=O)NCC3([NH+](C)C)CC[NH+](CC)CC3)C2)c1 ZINC000534581224 570902996 /nfs/dbraw/zinc/90/29/96/570902996.db2.gz NSWGIHFPMWHTHS-UHFFFAOYSA-N 2 2 388.556 2.438 50 0 GEAALP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000084519382 571020495 /nfs/dbraw/zinc/02/04/95/571020495.db2.gz JYNHXNAJQVOZLA-UXHICEINSA-N 2 2 389.565 2.146 50 0 GEAALP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000084519383 571020626 /nfs/dbraw/zinc/02/06/26/571020626.db2.gz JYNHXNAJQVOZLA-WOJBJXKFSA-N 2 2 389.565 2.146 50 0 GEAALP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000015068346 207042807 /nfs/dbraw/zinc/04/28/07/207042807.db2.gz FMUDIQMVIYLGPH-LJQANCHMSA-N 2 2 393.495 2.132 50 0 GEAALP COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000015300730 207049861 /nfs/dbraw/zinc/04/98/61/207049861.db2.gz WHKVJPHORMPFTH-LJQANCHMSA-N 2 2 375.513 2.059 50 0 GEAALP COc1ccc([C@H]2CCC[N@H+]2CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000015300730 207049865 /nfs/dbraw/zinc/04/98/65/207049865.db2.gz WHKVJPHORMPFTH-LJQANCHMSA-N 2 2 375.513 2.059 50 0 GEAALP CC[N@@H+]1CCC[C@H]1CN(Cc1[nH+]ccn1C)CC1CC[NH+](CCOC)CC1 ZINC000019595639 207143529 /nfs/dbraw/zinc/14/35/29/207143529.db2.gz QYAPIMOYSHHNOF-FQEVSTJZSA-N 3 2 377.577 2.065 50 0 GEAALP CC[N@H+]1CCC[C@H]1CN(Cc1[nH+]ccn1C)CC1CC[NH+](CCOC)CC1 ZINC000019595639 207143531 /nfs/dbraw/zinc/14/35/31/207143531.db2.gz QYAPIMOYSHHNOF-FQEVSTJZSA-N 3 2 377.577 2.065 50 0 GEAALP Cc1cccc(-n2ccnc2CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](CCO)C2)c1 ZINC000019745113 207158280 /nfs/dbraw/zinc/15/82/80/207158280.db2.gz HVVIIFAXRPFWJN-QFIPXVFZSA-N 2 2 397.567 2.144 50 0 GEAALP Cc1cccc(-n2ccnc2CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](CCO)C2)c1 ZINC000019745113 207158284 /nfs/dbraw/zinc/15/82/84/207158284.db2.gz HVVIIFAXRPFWJN-QFIPXVFZSA-N 2 2 397.567 2.144 50 0 GEAALP Cc1c[nH]c(CN(C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)[nH+]1 ZINC000020109557 207177598 /nfs/dbraw/zinc/17/75/98/207177598.db2.gz NGXPDCBUCNHLHH-SFHVURJKSA-N 2 2 390.553 2.139 50 0 GEAALP S=C(NCCC[NH+]1CCOCC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020664533 207209450 /nfs/dbraw/zinc/20/94/50/207209450.db2.gz DMDYBOWXJZHTEW-UHFFFAOYSA-N 2 2 396.988 2.054 50 0 GEAALP CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CC[NH+]1CCCCC1)C2 ZINC000020706618 207209977 /nfs/dbraw/zinc/20/99/77/207209977.db2.gz YXAJOLUYKJTLLM-GOSISDBHSA-N 2 2 387.572 2.462 50 0 GEAALP c1cc(C[NH2+]CCC[NH+]2CCOCC2)n(-c2nnc(N3CCCCC3)s2)c1 ZINC000020942884 207221106 /nfs/dbraw/zinc/22/11/06/207221106.db2.gz OQGYLWNLRJMPEA-UHFFFAOYSA-N 2 2 390.557 2.131 50 0 GEAALP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)Cc3cccnc3)c2)CC1 ZINC000022913392 207263245 /nfs/dbraw/zinc/26/32/45/207263245.db2.gz BYZZDKCBVXRMRP-JOCHJYFZSA-N 2 2 398.551 2.091 50 0 GEAALP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3cccnc3)c2)CC1 ZINC000022913392 207263248 /nfs/dbraw/zinc/26/32/48/207263248.db2.gz BYZZDKCBVXRMRP-JOCHJYFZSA-N 2 2 398.551 2.091 50 0 GEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccc4c(c3)OCO4)[nH+]c(C)n2)c1C ZINC000072446859 208026713 /nfs/dbraw/zinc/02/67/13/208026713.db2.gz GKIKZKKUENWVGS-UHFFFAOYSA-N 2 2 394.435 2.158 50 0 GEAALP C[NH+]1CCC([N@@H+]2CC[C@@H](CNC(=O)c3cccc4ccccc43)[C@H](O)C2)CC1 ZINC000072438294 208026970 /nfs/dbraw/zinc/02/69/70/208026970.db2.gz PIGXDBDXXGELRO-PGRDOPGGSA-N 2 2 381.520 2.347 50 0 GEAALP C[NH+]1CCC([N@H+]2CC[C@@H](CNC(=O)c3cccc4ccccc43)[C@H](O)C2)CC1 ZINC000072438294 208026975 /nfs/dbraw/zinc/02/69/75/208026975.db2.gz PIGXDBDXXGELRO-PGRDOPGGSA-N 2 2 381.520 2.347 50 0 GEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Cc3ccc(F)cc3)[nH+]c(C)n2)c1C ZINC000072442478 208028678 /nfs/dbraw/zinc/02/86/78/208028678.db2.gz WUIQSDHVOLYWRT-UHFFFAOYSA-N 2 2 382.443 2.497 50 0 GEAALP CCc1ncc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000091526743 208123693 /nfs/dbraw/zinc/12/36/93/208123693.db2.gz SJSYWKRDTMRAIQ-OAQYLSRUSA-N 2 2 382.512 2.209 50 0 GEAALP CCc1ncc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000091526743 208123699 /nfs/dbraw/zinc/12/36/99/208123699.db2.gz SJSYWKRDTMRAIQ-OAQYLSRUSA-N 2 2 382.512 2.209 50 0 GEAALP CCc1ncc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000091526743 208123703 /nfs/dbraw/zinc/12/37/03/208123703.db2.gz SJSYWKRDTMRAIQ-OAQYLSRUSA-N 2 2 382.512 2.209 50 0 GEAALP CCc1ncc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000091526743 208123709 /nfs/dbraw/zinc/12/37/09/208123709.db2.gz SJSYWKRDTMRAIQ-OAQYLSRUSA-N 2 2 382.512 2.209 50 0 GEAALP COCC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@@H]1CCSC1 ZINC000089669489 208106203 /nfs/dbraw/zinc/10/62/03/208106203.db2.gz BXOBHFKBBGBFQQ-HXUWFJFHSA-N 2 2 391.581 2.093 50 0 GEAALP COCC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@@H]1CCSC1 ZINC000089669489 208106209 /nfs/dbraw/zinc/10/62/09/208106209.db2.gz BXOBHFKBBGBFQQ-HXUWFJFHSA-N 2 2 391.581 2.093 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1OC ZINC000095510873 208214106 /nfs/dbraw/zinc/21/41/06/208214106.db2.gz YYZAXRMCKXIOLH-GOSISDBHSA-N 2 2 380.529 2.388 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1OC ZINC000095510873 208214115 /nfs/dbraw/zinc/21/41/15/208214115.db2.gz YYZAXRMCKXIOLH-GOSISDBHSA-N 2 2 380.529 2.388 50 0 GEAALP COc1cccc(C[N@@H+]2CCCCC23CC3)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095517157 208217321 /nfs/dbraw/zinc/21/73/21/208217321.db2.gz SFJPRTWIVYNDMX-IBGZPJMESA-N 2 2 390.524 2.286 50 0 GEAALP COc1cccc(C[N@H+]2CCCCC23CC3)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095517157 208217324 /nfs/dbraw/zinc/21/73/24/208217324.db2.gz SFJPRTWIVYNDMX-IBGZPJMESA-N 2 2 390.524 2.286 50 0 GEAALP CN(C)CC[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095527786 208225703 /nfs/dbraw/zinc/22/57/03/208225703.db2.gz FUYMBRNAKWGEFF-HSZRJFAPSA-N 2 2 397.563 2.478 50 0 GEAALP CN(C)CC[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095527786 208225706 /nfs/dbraw/zinc/22/57/06/208225706.db2.gz FUYMBRNAKWGEFF-HSZRJFAPSA-N 2 2 397.563 2.478 50 0 GEAALP CN(C)CC[NH+](C)Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000095527786 208225712 /nfs/dbraw/zinc/22/57/12/208225712.db2.gz FUYMBRNAKWGEFF-HSZRJFAPSA-N 2 2 397.563 2.478 50 0 GEAALP CN(C)CC[NH+](C)Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000095527786 208225717 /nfs/dbraw/zinc/22/57/17/208225717.db2.gz FUYMBRNAKWGEFF-HSZRJFAPSA-N 2 2 397.563 2.478 50 0 GEAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000096164115 208280081 /nfs/dbraw/zinc/28/00/81/208280081.db2.gz RHSRBWYHRGLZIG-UHFFFAOYSA-N 2 2 381.484 2.306 50 0 GEAALP COCCn1cc[nH+]c1[C@@H]1CCCN(c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000095530534 136181819 /nfs/dbraw/zinc/18/18/19/136181819.db2.gz FEUZWMKYNGKZMH-LJQANCHMSA-N 2 2 385.512 2.141 50 0 GEAALP COc1cc(C)c(C[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1OC ZINC000095982337 536567137 /nfs/dbraw/zinc/56/71/37/536567137.db2.gz LOJLSHXQICEEEF-UHFFFAOYSA-N 2 2 385.512 2.186 50 0 GEAALP COc1cc(C)c(C[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1OC ZINC000095982337 536567145 /nfs/dbraw/zinc/56/71/45/536567145.db2.gz LOJLSHXQICEEEF-UHFFFAOYSA-N 2 2 385.512 2.186 50 0 GEAALP COc1ccccc1N1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1(C)C ZINC000223342982 537071139 /nfs/dbraw/zinc/07/11/39/537071139.db2.gz OBVXSSXYSASZAG-UHFFFAOYSA-N 2 2 382.512 2.377 50 0 GEAALP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000011753939 570581680 /nfs/dbraw/zinc/58/16/80/570581680.db2.gz LKTKEDWDVDXKIT-MRXNPFEDSA-N 2 2 381.952 2.148 50 0 GEAALP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000011753939 570581682 /nfs/dbraw/zinc/58/16/82/570581682.db2.gz LKTKEDWDVDXKIT-MRXNPFEDSA-N 2 2 381.952 2.148 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](C)Cc2nnc(C)o2)ccc1OC ZINC000012593495 570688017 /nfs/dbraw/zinc/68/80/17/570688017.db2.gz AJIXIAZGMYSSBX-QGZVFWFLSA-N 2 2 392.500 2.100 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+](C)Cc2nnc(C)o2)ccc1OC ZINC000012593495 570688019 /nfs/dbraw/zinc/68/80/19/570688019.db2.gz AJIXIAZGMYSSBX-QGZVFWFLSA-N 2 2 392.500 2.100 50 0 GEAALP COc1ccc(OCC2CC[NH+](Cc3nnc([C@H]4C[C@@H]([NH3+])C4)n3C)CC2)cc1 ZINC000252532918 570729770 /nfs/dbraw/zinc/72/97/70/570729770.db2.gz FLNNDAXNONAFIY-CALCHBBNSA-N 2 2 385.512 2.319 50 0 GEAALP CCN(C(=O)CC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000065526552 570771830 /nfs/dbraw/zinc/77/18/30/570771830.db2.gz BHUSNENWJKYOBT-UHFFFAOYSA-N 2 2 386.540 2.235 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000067867476 570794595 /nfs/dbraw/zinc/79/45/95/570794595.db2.gz PCNKIROFRJXIEO-SFHVURJKSA-N 2 2 377.504 2.265 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000067867476 570794597 /nfs/dbraw/zinc/79/45/97/570794597.db2.gz PCNKIROFRJXIEO-SFHVURJKSA-N 2 2 377.504 2.265 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000067955514 570798507 /nfs/dbraw/zinc/79/85/07/570798507.db2.gz ATWHDCDGXOUBIJ-GOSISDBHSA-N 2 2 377.504 2.265 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000067955514 570798511 /nfs/dbraw/zinc/79/85/11/570798511.db2.gz ATWHDCDGXOUBIJ-GOSISDBHSA-N 2 2 377.504 2.265 50 0 GEAALP Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO3)cc1 ZINC000067975382 570799625 /nfs/dbraw/zinc/79/96/25/570799625.db2.gz AXDWWNQGSDKRPA-IBGZPJMESA-N 2 2 392.459 2.382 50 0 GEAALP COCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071747990 570845582 /nfs/dbraw/zinc/84/55/82/570845582.db2.gz PPTGXYIHVSBAIB-HXUWFJFHSA-N 2 2 388.556 2.253 50 0 GEAALP COCCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071747990 570845583 /nfs/dbraw/zinc/84/55/83/570845583.db2.gz PPTGXYIHVSBAIB-HXUWFJFHSA-N 2 2 388.556 2.253 50 0 GEAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071754775 570848714 /nfs/dbraw/zinc/84/87/14/570848714.db2.gz JKZPVUOEIOVYPA-LJQANCHMSA-N 2 2 396.539 2.140 50 0 GEAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071754775 570848715 /nfs/dbraw/zinc/84/87/15/570848715.db2.gz JKZPVUOEIOVYPA-LJQANCHMSA-N 2 2 396.539 2.140 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000071763776 570851091 /nfs/dbraw/zinc/85/10/91/570851091.db2.gz IFGIVLKYULQWGI-GOSISDBHSA-N 2 2 377.504 2.265 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000071763776 570851095 /nfs/dbraw/zinc/85/10/95/570851095.db2.gz IFGIVLKYULQWGI-GOSISDBHSA-N 2 2 377.504 2.265 50 0 GEAALP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000012555770 570858440 /nfs/dbraw/zinc/85/84/40/570858440.db2.gz NWWBQDNGLIAGCU-UHFFFAOYSA-N 2 2 392.547 2.461 50 0 GEAALP O[C@H](COc1cccc(C[NH2+]C2Cc3ccccc3C2)c1)C[NH+]1CCOCC1 ZINC000015061654 570874642 /nfs/dbraw/zinc/87/46/42/570874642.db2.gz QRIAPAWRSIAVHY-QFIPXVFZSA-N 2 2 382.504 2.016 50 0 GEAALP CC[NH+](CC)[C@@H](CNC(=O)CSc1[nH+]cnc2c1cnn2C)c1ccco1 ZINC000089967808 570922039 /nfs/dbraw/zinc/92/20/39/570922039.db2.gz PEMSIUJUNJSBGK-AWEZNQCLSA-N 2 2 388.497 2.248 50 0 GEAALP Cc1cc(C)n(CCC[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)n1 ZINC000426684377 231251887 /nfs/dbraw/zinc/25/18/87/231251887.db2.gz IUMCRFVKBMBWKI-LJQANCHMSA-N 2 2 385.560 2.494 50 0 GEAALP Cc1cc(C)n(CCC[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)n1 ZINC000426684377 231251890 /nfs/dbraw/zinc/25/18/90/231251890.db2.gz IUMCRFVKBMBWKI-LJQANCHMSA-N 2 2 385.560 2.494 50 0 GEAALP O=C(C1CC[NH+](C2CC[NH+](C/C=C/c3ccco3)CC2)CC1)N1CCOCC1 ZINC000020201749 207181363 /nfs/dbraw/zinc/18/13/63/207181363.db2.gz SAJDQDONNNXINB-HNQUOIGGSA-N 2 2 387.524 2.328 50 0 GEAALP COc1ccc2cc(C(=O)N[C@@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)n(C)c2c1 ZINC000020455425 207195177 /nfs/dbraw/zinc/19/51/77/207195177.db2.gz QZSKTFBKQYXTHG-QGZVFWFLSA-N 2 2 384.524 2.475 50 0 GEAALP COc1ccc2cc(C(=O)N[C@@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)n(C)c2c1 ZINC000020455425 207195182 /nfs/dbraw/zinc/19/51/82/207195182.db2.gz QZSKTFBKQYXTHG-QGZVFWFLSA-N 2 2 384.524 2.475 50 0 GEAALP COc1ccc(C[N@@H+]2CCOC(C)(C)C2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095497637 208197161 /nfs/dbraw/zinc/19/71/61/208197161.db2.gz RWNUKWOBGLGGFP-SFHVURJKSA-N 2 2 378.513 2.142 50 0 GEAALP COc1ccc(C[N@H+]2CCOC(C)(C)C2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095497637 208197164 /nfs/dbraw/zinc/19/71/64/208197164.db2.gz RWNUKWOBGLGGFP-SFHVURJKSA-N 2 2 378.513 2.142 50 0 GEAALP CN(C)CC[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095527787 208227828 /nfs/dbraw/zinc/22/78/28/208227828.db2.gz FUYMBRNAKWGEFF-QHCPKHFHSA-N 2 2 397.563 2.478 50 0 GEAALP CN(C)CC[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095527787 208227833 /nfs/dbraw/zinc/22/78/33/208227833.db2.gz FUYMBRNAKWGEFF-QHCPKHFHSA-N 2 2 397.563 2.478 50 0 GEAALP CN(C)CC[NH+](C)Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000095527787 208227841 /nfs/dbraw/zinc/22/78/41/208227841.db2.gz FUYMBRNAKWGEFF-QHCPKHFHSA-N 2 2 397.563 2.478 50 0 GEAALP CN(C)CC[NH+](C)Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000095527787 208227845 /nfs/dbraw/zinc/22/78/45/208227845.db2.gz FUYMBRNAKWGEFF-QHCPKHFHSA-N 2 2 397.563 2.478 50 0 GEAALP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC000096137718 208269903 /nfs/dbraw/zinc/26/99/03/208269903.db2.gz CYQBDFDMTRUKLF-UHFFFAOYSA-N 2 2 380.500 2.329 50 0 GEAALP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000072292474 136167974 /nfs/dbraw/zinc/16/79/74/136167974.db2.gz VYDVECSOJCGKLW-HNNXBMFYSA-N 2 2 379.468 2.476 50 0 GEAALP CCc1cc(N2CCC[C@H](c3nnc(Cn4cc[nH+]c4C)n3C)C2)nc(C)[nH+]1 ZINC000095387640 136178979 /nfs/dbraw/zinc/17/89/79/136178979.db2.gz UXMROFBDOVWVOE-INIZCTEOSA-N 2 2 380.500 2.413 50 0 GEAALP C[NH2+]N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000261492672 209080301 /nfs/dbraw/zinc/08/03/01/209080301.db2.gz FBRJPOOTOJNSTG-GOSISDBHSA-N 2 2 398.555 2.108 50 0 GEAALP C[NH2+]N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000261492672 209080304 /nfs/dbraw/zinc/08/03/04/209080304.db2.gz FBRJPOOTOJNSTG-GOSISDBHSA-N 2 2 398.555 2.108 50 0 GEAALP Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000426420587 533793451 /nfs/dbraw/zinc/79/34/51/533793451.db2.gz KBFZRQSGDDZQKY-KRWDZBQOSA-N 2 2 394.947 2.306 50 0 GEAALP Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000426420587 533793453 /nfs/dbraw/zinc/79/34/53/533793453.db2.gz KBFZRQSGDDZQKY-KRWDZBQOSA-N 2 2 394.947 2.306 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OC ZINC000011935226 570593379 /nfs/dbraw/zinc/59/33/79/570593379.db2.gz ZDAOZYQYNBDRKH-LJQANCHMSA-N 3 2 390.528 2.153 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@H+](C)Cc2nc(C)c[nH]2)cc1OC ZINC000012434122 570661752 /nfs/dbraw/zinc/66/17/52/570661752.db2.gz JDKGKIPRRAZKHM-GOSISDBHSA-N 2 2 390.528 2.440 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2nc(C)c[nH]2)cc1OC ZINC000012434122 570661754 /nfs/dbraw/zinc/66/17/54/570661754.db2.gz JDKGKIPRRAZKHM-GOSISDBHSA-N 2 2 390.528 2.440 50 0 GEAALP Nc1nc(N2CCOCC2)cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)[nH+]1 ZINC000071403967 570833034 /nfs/dbraw/zinc/83/30/34/570833034.db2.gz GYJXOHXZZRIRAC-QGZVFWFLSA-N 2 2 383.496 2.343 50 0 GEAALP NC(=O)c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071639379 570841951 /nfs/dbraw/zinc/84/19/51/570841951.db2.gz YBZFERUQWWPFSW-HXUWFJFHSA-N 2 2 398.551 2.084 50 0 GEAALP NC(=O)c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000071639379 570841953 /nfs/dbraw/zinc/84/19/53/570841953.db2.gz YBZFERUQWWPFSW-HXUWFJFHSA-N 2 2 398.551 2.084 50 0 GEAALP COc1ccc(C[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC000037170646 570844812 /nfs/dbraw/zinc/84/48/12/570844812.db2.gz FWQVJQOCEMBOMS-UHFFFAOYSA-N 2 2 398.507 2.270 50 0 GEAALP COc1ccc(C[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC000037170646 570844819 /nfs/dbraw/zinc/84/48/19/570844819.db2.gz FWQVJQOCEMBOMS-UHFFFAOYSA-N 2 2 398.507 2.270 50 0 GEAALP COCC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071746968 570845237 /nfs/dbraw/zinc/84/52/37/570845237.db2.gz MWGDXPUYMAULSB-LJQANCHMSA-N 2 2 388.556 2.299 50 0 GEAALP COCC(C)(C)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071746968 570845239 /nfs/dbraw/zinc/84/52/39/570845239.db2.gz MWGDXPUYMAULSB-LJQANCHMSA-N 2 2 388.556 2.299 50 0 GEAALP Cc1[nH+]ccn1CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071762469 570850257 /nfs/dbraw/zinc/85/02/57/570850257.db2.gz HDCZCROENMNURC-FQEVSTJZSA-N 3 2 387.572 2.380 50 0 GEAALP Cc1[nH+]ccn1CCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071762469 570850261 /nfs/dbraw/zinc/85/02/61/570850261.db2.gz HDCZCROENMNURC-FQEVSTJZSA-N 3 2 387.572 2.380 50 0 GEAALP CN(Cc1ccon1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071763023 570850430 /nfs/dbraw/zinc/85/04/30/570850430.db2.gz JPKODCTYIDSLBX-LJQANCHMSA-N 2 2 397.523 2.405 50 0 GEAALP CN(Cc1ccon1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071763023 570850432 /nfs/dbraw/zinc/85/04/32/570850432.db2.gz JPKODCTYIDSLBX-LJQANCHMSA-N 2 2 397.523 2.405 50 0 GEAALP COc1ccccc1-c1ncc(C[N@@H+]2CCn3nc(C[NH+](C)C)cc3C2)cn1 ZINC000072146582 570872024 /nfs/dbraw/zinc/87/20/24/570872024.db2.gz MTGNEUIJFRVXQV-UHFFFAOYSA-N 2 2 378.480 2.426 50 0 GEAALP COc1ccccc1-c1ncc(C[N@H+]2CCn3nc(C[NH+](C)C)cc3C2)cn1 ZINC000072146582 570872026 /nfs/dbraw/zinc/87/20/26/570872026.db2.gz MTGNEUIJFRVXQV-UHFFFAOYSA-N 2 2 378.480 2.426 50 0 GEAALP CCCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]CCC(C)C)C2 ZINC000014536103 210118617 /nfs/dbraw/zinc/11/86/17/210118617.db2.gz YLSWRXNTZYTVDH-QGZVFWFLSA-N 2 2 375.561 2.174 50 0 GEAALP COCC[N@H+](C)CCNC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC000072306968 531918429 /nfs/dbraw/zinc/91/84/29/531918429.db2.gz PUVBWMSWJBAKAF-QGZVFWFLSA-N 2 2 398.345 2.280 50 0 GEAALP COCC[N@@H+](C)CCNC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC000072306968 531918435 /nfs/dbraw/zinc/91/84/35/531918435.db2.gz PUVBWMSWJBAKAF-QGZVFWFLSA-N 2 2 398.345 2.280 50 0 GEAALP CCC(=O)Nc1cc(NC(=O)NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1C ZINC000299785450 212037241 /nfs/dbraw/zinc/03/72/41/212037241.db2.gz ZXTDZWTUPILQJK-UHFFFAOYSA-N 2 2 375.517 2.491 50 0 GEAALP C[NH2+]N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000261492673 212029085 /nfs/dbraw/zinc/02/90/85/212029085.db2.gz FBRJPOOTOJNSTG-SFHVURJKSA-N 2 2 398.555 2.108 50 0 GEAALP C[NH2+]N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000261492673 212029107 /nfs/dbraw/zinc/02/91/07/212029107.db2.gz FBRJPOOTOJNSTG-SFHVURJKSA-N 2 2 398.555 2.108 50 0 GEAALP COCCNC(=O)c1cccc(OC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000095499236 211253156 /nfs/dbraw/zinc/25/31/56/211253156.db2.gz TXJKHCCMPBRPLY-UHFFFAOYSA-N 2 2 375.513 2.000 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000095369053 211227839 /nfs/dbraw/zinc/22/78/39/211227839.db2.gz FRKNTZMJVOOPLQ-OAHLLOKOSA-N 2 2 382.516 2.460 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000095369053 211227844 /nfs/dbraw/zinc/22/78/44/211227844.db2.gz FRKNTZMJVOOPLQ-OAHLLOKOSA-N 2 2 382.516 2.460 50 0 GEAALP Cn1cc[nH+]c1C1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000091770385 211205442 /nfs/dbraw/zinc/20/54/42/211205442.db2.gz WSPKXKLUSJFCEW-HXUWFJFHSA-N 2 2 382.508 2.417 50 0 GEAALP Cn1cc[nH+]c1C1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000091770385 211205444 /nfs/dbraw/zinc/20/54/44/211205444.db2.gz WSPKXKLUSJFCEW-HXUWFJFHSA-N 2 2 382.508 2.417 50 0 GEAALP COc1ccc(C[C@H]([NH3+])C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000077355116 211130501 /nfs/dbraw/zinc/13/05/01/211130501.db2.gz QABXNRFFECKEPV-NRFANRHFSA-N 2 2 385.483 2.439 50 0 GEAALP COc1ccc(C[C@H]([NH3+])C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000077355116 211130505 /nfs/dbraw/zinc/13/05/05/211130505.db2.gz QABXNRFFECKEPV-NRFANRHFSA-N 2 2 385.483 2.439 50 0 GEAALP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+](Cc3nccn3C)CC2)OC1=O ZINC000072426821 211117517 /nfs/dbraw/zinc/11/75/17/211117517.db2.gz IABTVFQMZMYCON-UHFFFAOYSA-N 2 2 377.533 2.185 50 0 GEAALP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+](Cc3nccn3C)CC2)OC1=O ZINC000072426821 211117520 /nfs/dbraw/zinc/11/75/20/211117520.db2.gz IABTVFQMZMYCON-UHFFFAOYSA-N 2 2 377.533 2.185 50 0 GEAALP Cc1cccc2c(O)c(C(=O)N[C@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)cnc12 ZINC000072163777 211079601 /nfs/dbraw/zinc/07/96/01/211079601.db2.gz IFVJWVWTQXMXLR-INIZCTEOSA-N 2 2 382.508 2.125 50 0 GEAALP Cc1cccc2c(O)c(C(=O)N[C@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)cnc12 ZINC000072163777 211079606 /nfs/dbraw/zinc/07/96/06/211079606.db2.gz IFVJWVWTQXMXLR-INIZCTEOSA-N 2 2 382.508 2.125 50 0 GEAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3F)CC2)C1)N1CCOCC1 ZINC000067654879 211014349 /nfs/dbraw/zinc/01/43/49/211014349.db2.gz OWCPJVOEFRJWMF-LJQANCHMSA-N 2 2 389.515 2.361 50 0 GEAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3F)CC2)C1)N1CCOCC1 ZINC000067654879 211014355 /nfs/dbraw/zinc/01/43/55/211014355.db2.gz OWCPJVOEFRJWMF-LJQANCHMSA-N 2 2 389.515 2.361 50 0 GEAALP CCCOc1c(Br)cc(C[NH2+]CC[NH2+]CCO)cc1OCC ZINC000020968172 210371644 /nfs/dbraw/zinc/37/16/44/210371644.db2.gz ZNDOPNVGFNLUDQ-UHFFFAOYSA-N 2 2 375.307 2.308 50 0 GEAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc4c3OCO4)C[C@@H]2CCO)CC1 ZINC000020537557 210344751 /nfs/dbraw/zinc/34/47/51/210344751.db2.gz HOJASHNVHAVXQH-FQEVSTJZSA-N 2 2 389.540 2.157 50 0 GEAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc4c3OCO4)C[C@@H]2CCO)CC1 ZINC000020537557 210344752 /nfs/dbraw/zinc/34/47/52/210344752.db2.gz HOJASHNVHAVXQH-FQEVSTJZSA-N 2 2 389.540 2.157 50 0 GEAALP COc1ccc2cc(C(=O)N[C@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)n(C)c2c1 ZINC000020455427 210336774 /nfs/dbraw/zinc/33/67/74/210336774.db2.gz QZSKTFBKQYXTHG-KRWDZBQOSA-N 2 2 384.524 2.475 50 0 GEAALP COc1ccc2cc(C(=O)N[C@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)n(C)c2c1 ZINC000020455427 210336777 /nfs/dbraw/zinc/33/67/77/210336777.db2.gz QZSKTFBKQYXTHG-KRWDZBQOSA-N 2 2 384.524 2.475 50 0 GEAALP CC[N@@H+]1CCC[C@@H]1CN(Cc1[nH+]ccn1C)CC1CC[NH+](CCOC)CC1 ZINC000019595638 210275466 /nfs/dbraw/zinc/27/54/66/210275466.db2.gz QYAPIMOYSHHNOF-HXUWFJFHSA-N 3 2 377.577 2.065 50 0 GEAALP CC[N@H+]1CCC[C@@H]1CN(Cc1[nH+]ccn1C)CC1CC[NH+](CCOC)CC1 ZINC000019595638 210275471 /nfs/dbraw/zinc/27/54/71/210275471.db2.gz QYAPIMOYSHHNOF-HXUWFJFHSA-N 3 2 377.577 2.065 50 0 GEAALP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)cc1CO ZINC000011820904 221129846 /nfs/dbraw/zinc/12/98/46/221129846.db2.gz CWECUGMEJNQPCA-FGZHOGPDSA-N 2 2 399.535 2.082 50 0 GEAALP CCOc1ccc(C[N@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)cc1CO ZINC000011820904 221129850 /nfs/dbraw/zinc/12/98/50/221129850.db2.gz CWECUGMEJNQPCA-FGZHOGPDSA-N 2 2 399.535 2.082 50 0 GEAALP CCOc1ccc(C[NH+]2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)cc1CO ZINC000011820904 221129851 /nfs/dbraw/zinc/12/98/51/221129851.db2.gz CWECUGMEJNQPCA-FGZHOGPDSA-N 2 2 399.535 2.082 50 0 GEAALP CCOc1ccc(C[NH+]2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)cc1CO ZINC000011820904 221129855 /nfs/dbraw/zinc/12/98/55/221129855.db2.gz CWECUGMEJNQPCA-FGZHOGPDSA-N 2 2 399.535 2.082 50 0 GEAALP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000072308420 136168013 /nfs/dbraw/zinc/16/80/13/136168013.db2.gz AQXKZGVPGWOFCX-GOSISDBHSA-N 2 2 388.556 2.196 50 0 GEAALP O=C1CC[C@H]2CN(c3[nH+]cnc4[nH]ccc43)CC[C@H]2N1CCCn1cc[nH+]c1 ZINC000072467821 136171051 /nfs/dbraw/zinc/17/10/51/136171051.db2.gz DTRZYTNRHLHRSC-DOTOQJQBSA-N 2 2 379.468 2.062 50 0 GEAALP CN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]C3(c4ccccc4)CC3)cc2)CC1 ZINC000023358870 570356268 /nfs/dbraw/zinc/35/62/68/570356268.db2.gz QMUOJEQPUAGWJY-JOCHJYFZSA-N 2 2 395.547 2.453 50 0 GEAALP COc1cc(C[NH2+]C(C2CC2)C2CC2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000011813906 570583461 /nfs/dbraw/zinc/58/34/61/570583461.db2.gz BRNRBURGGLVIGA-LJQANCHMSA-N 2 2 390.524 2.045 50 0 GEAALP COc1ccc(/C=C/C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000012718018 570705430 /nfs/dbraw/zinc/70/54/30/570705430.db2.gz AVDGQMVRHMEWGS-KOEDOTQGSA-N 2 2 387.524 2.392 50 0 GEAALP COc1ccc(/C=C/C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000012718018 570705433 /nfs/dbraw/zinc/70/54/33/570705433.db2.gz AVDGQMVRHMEWGS-KOEDOTQGSA-N 2 2 387.524 2.392 50 0 GEAALP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000107145924 570971294 /nfs/dbraw/zinc/97/12/94/570971294.db2.gz WSRPCHFPXLMXTP-AEFFLSMTSA-N 2 2 375.513 2.142 50 0 GEAALP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000107145924 570971295 /nfs/dbraw/zinc/97/12/95/570971295.db2.gz WSRPCHFPXLMXTP-AEFFLSMTSA-N 2 2 375.513 2.142 50 0 GEAALP O=C(NC[C@]1(O)CC[NH2+]C1)c1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000426634092 231248331 /nfs/dbraw/zinc/24/83/31/231248331.db2.gz DHWAEZFRJZMXGW-QFIPXVFZSA-N 2 2 376.460 2.053 50 0 GEAALP CC[NH+](CC)CC[NH2+][C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000019300713 210240040 /nfs/dbraw/zinc/24/00/40/210240040.db2.gz FSPOJXYKAYRODZ-HNNXBMFYSA-N 2 2 389.569 2.200 50 0 GEAALP CCCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]CCC(C)C)C2 ZINC000014536102 210119404 /nfs/dbraw/zinc/11/94/04/210119404.db2.gz YLSWRXNTZYTVDH-KRWDZBQOSA-N 2 2 375.561 2.174 50 0 GEAALP COc1cc(Br)cc(C[NH2+]CCC[NH2+]CCO)c1OC(C)C ZINC000040720717 531662178 /nfs/dbraw/zinc/66/21/78/531662178.db2.gz KBHYWEZSBVFIJJ-UHFFFAOYSA-N 2 2 375.307 2.307 50 0 GEAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cnc(-c3ccccn3)nc2)CC1 ZINC000096131849 211304516 /nfs/dbraw/zinc/30/45/16/211304516.db2.gz YUTDROXULHEVKZ-UHFFFAOYSA-N 2 2 392.511 2.108 50 0 GEAALP COc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095527930 211273423 /nfs/dbraw/zinc/27/34/23/211273423.db2.gz RPTDCMHAZKIXGI-SFHVURJKSA-N 2 2 378.513 2.142 50 0 GEAALP COc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095527930 211273427 /nfs/dbraw/zinc/27/34/27/211273427.db2.gz RPTDCMHAZKIXGI-SFHVURJKSA-N 2 2 378.513 2.142 50 0 GEAALP CCn1c[nH+]cc1CN1C(=O)N(CCc2ccccc2)C2(CC[NH2+]CC2)C1=O ZINC000095365558 211226115 /nfs/dbraw/zinc/22/61/15/211226115.db2.gz PIJUYQSNKLBMTM-UHFFFAOYSA-N 2 2 381.480 2.032 50 0 GEAALP CCc1[nH+]ccn1CC(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091871955 211209489 /nfs/dbraw/zinc/20/94/89/211209489.db2.gz VGLIQXINDDKHNB-UHFFFAOYSA-N 2 2 378.480 2.492 50 0 GEAALP [NH3+]CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)cc1 ZINC000091665744 211203941 /nfs/dbraw/zinc/20/39/41/211203941.db2.gz NTHPVLHAWKRDGX-UHFFFAOYSA-N 3 2 395.551 2.358 50 0 GEAALP [NH3+]CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)cc1 ZINC000091665744 211203943 /nfs/dbraw/zinc/20/39/43/211203943.db2.gz NTHPVLHAWKRDGX-UHFFFAOYSA-N 3 2 395.551 2.358 50 0 GEAALP C[N@H+](CC(=O)N1C[C@H]2CC[C@@H]1C[NH+](Cc1cccnc1)C2)Cc1ccncc1 ZINC000091602687 211196360 /nfs/dbraw/zinc/19/63/60/211196360.db2.gz MSLOKUXJCYDAOD-LEWJYISDSA-N 2 2 379.508 2.031 50 0 GEAALP C[N@@H+](CC(=O)N1C[C@H]2CC[C@@H]1C[NH+](Cc1cccnc1)C2)Cc1ccncc1 ZINC000091602687 211196365 /nfs/dbraw/zinc/19/63/65/211196365.db2.gz MSLOKUXJCYDAOD-LEWJYISDSA-N 2 2 379.508 2.031 50 0 GEAALP C[NH+](CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2)Cc1ccncc1 ZINC000091602687 211196367 /nfs/dbraw/zinc/19/63/67/211196367.db2.gz MSLOKUXJCYDAOD-LEWJYISDSA-N 2 2 379.508 2.031 50 0 GEAALP C[NH+](CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2)Cc1ccncc1 ZINC000091602687 211196370 /nfs/dbraw/zinc/19/63/70/211196370.db2.gz MSLOKUXJCYDAOD-LEWJYISDSA-N 2 2 379.508 2.031 50 0 GEAALP CN1CC[C@@]2(CN(Cc3c[nH+]cn3Cc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000091593393 211195810 /nfs/dbraw/zinc/19/58/10/211195810.db2.gz UWVUMSIBCGQDRB-JOCHJYFZSA-N 2 2 381.524 2.060 50 0 GEAALP CN1CC[C@@]2(CN(Cc3c[nH+]cn3Cc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091593393 211195814 /nfs/dbraw/zinc/19/58/14/211195814.db2.gz UWVUMSIBCGQDRB-JOCHJYFZSA-N 2 2 381.524 2.060 50 0 GEAALP O=C(CC[NH+]1CCCCC1)N1CC[N@H+](Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000072432241 211117535 /nfs/dbraw/zinc/11/75/35/211117535.db2.gz ULCGUGCVYVZAOG-HXUWFJFHSA-N 2 2 377.504 2.097 50 0 GEAALP O=C(CC[NH+]1CCCCC1)N1CC[N@@H+](Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000072432241 211117538 /nfs/dbraw/zinc/11/75/38/211117538.db2.gz ULCGUGCVYVZAOG-HXUWFJFHSA-N 2 2 377.504 2.097 50 0 GEAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071753369 211057036 /nfs/dbraw/zinc/05/70/36/211057036.db2.gz MCVOYGMYNHBPOI-HXUWFJFHSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071753369 211057031 /nfs/dbraw/zinc/05/70/31/211057031.db2.gz MCVOYGMYNHBPOI-HXUWFJFHSA-N 2 2 393.535 2.469 50 0 GEAALP Cc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067851128 211024465 /nfs/dbraw/zinc/02/44/65/211024465.db2.gz LHOZNUXOFTXMJE-GOSISDBHSA-N 3 2 391.523 2.486 50 0 GEAALP Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)c1 ZINC000067742137 211019982 /nfs/dbraw/zinc/01/99/82/211019982.db2.gz HYJXZJXCQJSIQD-IBGZPJMESA-N 2 2 378.480 2.384 50 0 GEAALP CC[NH+]1CCN(C2CC[NH+](Cc3nc(Cc4cccc(F)c4)no3)CC2)CC1 ZINC000020293815 210326585 /nfs/dbraw/zinc/32/65/85/210326585.db2.gz XOVDENHZHVYIGF-UHFFFAOYSA-N 2 2 387.503 2.401 50 0 GEAALP c1ccc2c(c1)CC([N@@H+]1CCC[C@H](Nc3cc(N4CCOCC4)[nH+]cn3)C1)C2 ZINC000072480720 136171249 /nfs/dbraw/zinc/17/12/49/136171249.db2.gz HDJRTOQXHWKPIS-IBGZPJMESA-N 2 2 379.508 2.357 50 0 GEAALP c1ccc2c(c1)CC([N@H+]1CCC[C@H](Nc3cc(N4CCOCC4)[nH+]cn3)C1)C2 ZINC000072480720 136171250 /nfs/dbraw/zinc/17/12/50/136171250.db2.gz HDJRTOQXHWKPIS-IBGZPJMESA-N 2 2 379.508 2.357 50 0 GEAALP [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)nn2)CC1 ZINC000244763857 570433452 /nfs/dbraw/zinc/43/34/52/570433452.db2.gz OWPPZJKABVJJPZ-KSZLIROESA-N 2 2 379.468 2.088 50 0 GEAALP [NH3+][C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000244882769 570433895 /nfs/dbraw/zinc/43/38/95/570433895.db2.gz XYSOSYIQGOZRKL-NJYVYQBISA-N 3 2 399.583 2.144 50 0 GEAALP [NH3+][C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000244882769 570433896 /nfs/dbraw/zinc/43/38/96/570433896.db2.gz XYSOSYIQGOZRKL-NJYVYQBISA-N 3 2 399.583 2.144 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000012441389 570664505 /nfs/dbraw/zinc/66/45/05/570664505.db2.gz NNZTVEAFQNRBHV-IBGZPJMESA-N 3 2 390.528 2.153 50 0 GEAALP C[C@H]1CN(c2ccc(CNC(=O)N3CC[N@H+](C)Cc4ccccc43)c[nH+]2)CCO1 ZINC000252533019 570989756 /nfs/dbraw/zinc/98/97/56/570989756.db2.gz FSXXWKHXEMQGTQ-KRWDZBQOSA-N 2 2 395.507 2.468 50 0 GEAALP C[C@H]1CN(c2ccc(CNC(=O)N3CC[N@@H+](C)Cc4ccccc43)c[nH+]2)CCO1 ZINC000252533019 570989759 /nfs/dbraw/zinc/98/97/59/570989759.db2.gz FSXXWKHXEMQGTQ-KRWDZBQOSA-N 2 2 395.507 2.468 50 0 GEAALP COc1ccc(C[N@H+](C)Cc2ccon2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000015068880 210147735 /nfs/dbraw/zinc/14/77/35/210147735.db2.gz VGOUNITTXJJXCP-SFHVURJKSA-N 2 2 377.485 2.395 50 0 GEAALP COc1ccc(C[N@@H+](C)Cc2ccon2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000015068880 210147739 /nfs/dbraw/zinc/14/77/39/210147739.db2.gz VGOUNITTXJJXCP-SFHVURJKSA-N 2 2 377.485 2.395 50 0 GEAALP COc1ccc(C[NH+](C)Cc2ccon2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015068880 210147743 /nfs/dbraw/zinc/14/77/43/210147743.db2.gz VGOUNITTXJJXCP-SFHVURJKSA-N 2 2 377.485 2.395 50 0 GEAALP COc1ccc(C[NH+](C)Cc2ccon2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015068880 210147747 /nfs/dbraw/zinc/14/77/47/210147747.db2.gz VGOUNITTXJJXCP-SFHVURJKSA-N 2 2 377.485 2.395 50 0 GEAALP OCC[NH2+]CCC[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000261492447 212029694 /nfs/dbraw/zinc/02/96/94/212029694.db2.gz XSSMSVJNQATBFO-UHFFFAOYSA-N 2 2 383.471 2.194 50 0 GEAALP CCc1nccc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3CC)CC2)n1 ZINC000096150326 211311606 /nfs/dbraw/zinc/31/16/06/211311606.db2.gz SJIMJLQCNKNESX-UHFFFAOYSA-N 2 2 380.500 2.275 50 0 GEAALP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](Cc3cncn3C3CC3)CC2)n1C ZINC000096131458 211304069 /nfs/dbraw/zinc/30/40/69/211304069.db2.gz KSJDMXOZOVXCRB-UHFFFAOYSA-N 2 2 380.500 2.279 50 0 GEAALP COc1ccc(C[NH+]2CCOC(C)(C)C2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095529377 211275793 /nfs/dbraw/zinc/27/57/93/211275793.db2.gz YYHKLDZOXWUSJU-SFHVURJKSA-N 2 2 380.529 2.386 50 0 GEAALP COc1ccc(C[NH+]2CCOC(C)(C)C2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095529377 211275798 /nfs/dbraw/zinc/27/57/98/211275798.db2.gz YYHKLDZOXWUSJU-SFHVURJKSA-N 2 2 380.529 2.386 50 0 GEAALP COc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095529377 211275785 /nfs/dbraw/zinc/27/57/85/211275785.db2.gz YYHKLDZOXWUSJU-SFHVURJKSA-N 2 2 380.529 2.386 50 0 GEAALP COc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095529377 211275788 /nfs/dbraw/zinc/27/57/88/211275788.db2.gz YYHKLDZOXWUSJU-SFHVURJKSA-N 2 2 380.529 2.386 50 0 GEAALP CN1CC[NH+](Cc2ccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000095507835 211259400 /nfs/dbraw/zinc/25/94/00/211259400.db2.gz OXYMVKQOQGQIFQ-HSZRJFAPSA-N 2 2 395.547 2.232 50 0 GEAALP CN1CC[NH+](Cc2ccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000095507835 211259404 /nfs/dbraw/zinc/25/94/04/211259404.db2.gz OXYMVKQOQGQIFQ-HSZRJFAPSA-N 2 2 395.547 2.232 50 0 GEAALP C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000095390504 211237682 /nfs/dbraw/zinc/23/76/82/211237682.db2.gz COAVDHAXNUFTND-QFIPXVFZSA-N 2 2 379.504 2.266 50 0 GEAALP C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000095390504 211237686 /nfs/dbraw/zinc/23/76/86/211237686.db2.gz COAVDHAXNUFTND-QFIPXVFZSA-N 2 2 379.504 2.266 50 0 GEAALP CC(C)C[N@@H+]1CCn2nc(CNC(=O)CCc3cn4ccccc4[nH+]3)cc2C1 ZINC000091849347 211207277 /nfs/dbraw/zinc/20/72/77/211207277.db2.gz UHUSAIGODFZYLA-UHFFFAOYSA-N 2 2 380.496 2.251 50 0 GEAALP CC(C)C[N@H+]1CCn2nc(CNC(=O)CCc3cn4ccccc4[nH+]3)cc2C1 ZINC000091849347 211207282 /nfs/dbraw/zinc/20/72/82/211207282.db2.gz UHUSAIGODFZYLA-UHFFFAOYSA-N 2 2 380.496 2.251 50 0 GEAALP CC(=O)c1cc(C[NH+]2C[C@@H](CN3CCC[N@@H+](C)CC3)C[C@H](CO)C2)cs1 ZINC000091504467 211194670 /nfs/dbraw/zinc/19/46/70/211194670.db2.gz GPZIRHVLKYFHDL-MSOLQXFVSA-N 2 2 379.570 2.019 50 0 GEAALP CC(=O)c1cc(C[NH+]2C[C@@H](CN3CCC[N@H+](C)CC3)C[C@H](CO)C2)cs1 ZINC000091504467 211194673 /nfs/dbraw/zinc/19/46/73/211194673.db2.gz GPZIRHVLKYFHDL-MSOLQXFVSA-N 2 2 379.570 2.019 50 0 GEAALP CC(=O)c1cc(C[N@@H+]2C[C@@H](CN3CCC[NH+](C)CC3)C[C@H](CO)C2)cs1 ZINC000091504467 211194677 /nfs/dbraw/zinc/19/46/77/211194677.db2.gz GPZIRHVLKYFHDL-MSOLQXFVSA-N 2 2 379.570 2.019 50 0 GEAALP CC(=O)c1cc(C[N@H+]2C[C@@H](CN3CCC[NH+](C)CC3)C[C@H](CO)C2)cs1 ZINC000091504467 211194679 /nfs/dbraw/zinc/19/46/79/211194679.db2.gz GPZIRHVLKYFHDL-MSOLQXFVSA-N 2 2 379.570 2.019 50 0 GEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc(Br)o2)[nH+]cn1 ZINC000082230228 211163568 /nfs/dbraw/zinc/16/35/68/211163568.db2.gz YTYIATCTTVXERA-UHFFFAOYSA-N 2 2 391.229 2.168 50 0 GEAALP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC[NH+](C)CC3)CC2)c1 ZINC000072458442 211122012 /nfs/dbraw/zinc/12/20/12/211122012.db2.gz VOVAXZJHGPIGSK-QFIPXVFZSA-N 3 2 384.568 2.198 50 0 GEAALP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)CC2)c1 ZINC000072458442 211122013 /nfs/dbraw/zinc/12/20/13/211122013.db2.gz VOVAXZJHGPIGSK-QFIPXVFZSA-N 3 2 384.568 2.198 50 0 GEAALP C[C@@H]1CN(Cc2cc3n(n2)CCC[N@H+](Cc2cccc(F)c2F)C3)CC[NH2+]1 ZINC000072167678 211080910 /nfs/dbraw/zinc/08/09/10/211080910.db2.gz HCQNNILHMZAAMI-OAHLLOKOSA-N 2 2 375.467 2.361 50 0 GEAALP C[C@@H]1CN(Cc2cc3n(n2)CCC[N@@H+](Cc2cccc(F)c2F)C3)CC[NH2+]1 ZINC000072167678 211080913 /nfs/dbraw/zinc/08/09/13/211080913.db2.gz HCQNNILHMZAAMI-OAHLLOKOSA-N 2 2 375.467 2.361 50 0 GEAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000071752647 211055092 /nfs/dbraw/zinc/05/50/92/211055092.db2.gz ARLGOJOVILLVNX-HXUWFJFHSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000071752647 211055094 /nfs/dbraw/zinc/05/50/94/211055094.db2.gz ARLGOJOVILLVNX-HXUWFJFHSA-N 2 2 393.535 2.469 50 0 GEAALP CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071746897 211053035 /nfs/dbraw/zinc/05/30/35/211053035.db2.gz TWYUKSZAZWWPCW-LJQANCHMSA-N 2 2 396.539 2.140 50 0 GEAALP CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071746897 211053037 /nfs/dbraw/zinc/05/30/37/211053037.db2.gz TWYUKSZAZWWPCW-LJQANCHMSA-N 2 2 396.539 2.140 50 0 GEAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CCCOCC1 ZINC000071749591 211056936 /nfs/dbraw/zinc/05/69/36/211056936.db2.gz SGZASPQRHHVLAY-HXUWFJFHSA-N 2 2 386.540 2.007 50 0 GEAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CCCOCC1 ZINC000071749591 211056939 /nfs/dbraw/zinc/05/69/39/211056939.db2.gz SGZASPQRHHVLAY-HXUWFJFHSA-N 2 2 386.540 2.007 50 0 GEAALP COc1cc(-c2cccs2)cc2c1OCCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC000067872564 211027384 /nfs/dbraw/zinc/02/73/84/211027384.db2.gz YETSSCQGBKZLHW-INIZCTEOSA-N 2 2 398.488 2.438 50 0 GEAALP Cc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cccnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000067851130 211024909 /nfs/dbraw/zinc/02/49/09/211024909.db2.gz LHOZNUXOFTXMJE-SFHVURJKSA-N 3 2 391.523 2.486 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(O)c(C)c3)CC2)C1 ZINC000067757839 211021217 /nfs/dbraw/zinc/02/12/17/211021217.db2.gz OWOOKVXBPYOVAA-LJQANCHMSA-N 2 2 389.540 2.140 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(O)c(C)c3)CC2)C1 ZINC000067757839 211021220 /nfs/dbraw/zinc/02/12/20/211021220.db2.gz OWOOKVXBPYOVAA-LJQANCHMSA-N 2 2 389.540 2.140 50 0 GEAALP Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@H](O)CN2CC[NH+](C)CC2)[C@H]3CCC1 ZINC000019940197 210310656 /nfs/dbraw/zinc/31/06/56/210310656.db2.gz ZJUNKOUVYZCWIZ-GCJKJVERSA-N 2 2 382.552 2.251 50 0 GEAALP Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@H](O)CN2CC[NH+](C)CC2)[C@H]3CCC1 ZINC000019940197 210310659 /nfs/dbraw/zinc/31/06/59/210310659.db2.gz ZJUNKOUVYZCWIZ-GCJKJVERSA-N 2 2 382.552 2.251 50 0 GEAALP Cc1ccc2[nH+]c(CNC(=O)C[C@@H]3C(=O)NCC[N@H+]3CC3CCCCC3)cn2c1 ZINC000011664020 570272262 /nfs/dbraw/zinc/27/22/62/570272262.db2.gz BLKCARCBQXLYNU-LJQANCHMSA-N 2 2 397.523 2.030 50 0 GEAALP Cc1ccc2[nH+]c(CNC(=O)C[C@@H]3C(=O)NCC[N@@H+]3CC3CCCCC3)cn2c1 ZINC000011664020 570272264 /nfs/dbraw/zinc/27/22/64/570272264.db2.gz BLKCARCBQXLYNU-LJQANCHMSA-N 2 2 397.523 2.030 50 0 GEAALP O[C@H]1CC[N@H+](Cc2cn(C3CC[NH+](Cc4ccc5[nH]ccc5c4)CC3)nn2)C1 ZINC000023620184 570366832 /nfs/dbraw/zinc/36/68/32/570366832.db2.gz FZIIRSMMRPIJJA-FQEVSTJZSA-N 2 2 380.496 2.163 50 0 GEAALP O[C@H]1CC[N@@H+](Cc2cn(C3CC[NH+](Cc4ccc5[nH]ccc5c4)CC3)nn2)C1 ZINC000023620184 570366834 /nfs/dbraw/zinc/36/68/34/570366834.db2.gz FZIIRSMMRPIJJA-FQEVSTJZSA-N 2 2 380.496 2.163 50 0 GEAALP COC[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000011668095 570579506 /nfs/dbraw/zinc/57/95/06/570579506.db2.gz KZPUOVFBEGBYQM-GOSISDBHSA-N 2 2 388.556 2.218 50 0 GEAALP CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000011718552 570580942 /nfs/dbraw/zinc/58/09/42/570580942.db2.gz SQRYJKSRAMAXON-QGZVFWFLSA-N 2 2 375.561 2.390 50 0 GEAALP CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000011718552 570580944 /nfs/dbraw/zinc/58/09/44/570580944.db2.gz SQRYJKSRAMAXON-QGZVFWFLSA-N 2 2 375.561 2.390 50 0 GEAALP CCn1c2ccccc2nc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000039380787 570590160 /nfs/dbraw/zinc/59/01/60/570590160.db2.gz NYKGSNWNBZVKMQ-LJQANCHMSA-N 2 2 385.556 2.019 50 0 GEAALP CCn1c2ccccc2nc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000039380787 570590162 /nfs/dbraw/zinc/59/01/62/570590162.db2.gz NYKGSNWNBZVKMQ-LJQANCHMSA-N 2 2 385.556 2.019 50 0 GEAALP C[C@H]([NH2+]C1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1COc2ccccc21 ZINC000225634899 570596512 /nfs/dbraw/zinc/59/65/12/570596512.db2.gz HATJJSUANCIJMW-KBXCAEBGSA-N 2 2 378.480 2.486 50 0 GEAALP COCCNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1C1CC[NH+](C)CC1 ZINC000012219220 570627001 /nfs/dbraw/zinc/62/70/01/570627001.db2.gz GDKVRPTXCSFEEF-MOPGFXCFSA-N 2 2 395.544 2.218 50 0 GEAALP COCCNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1C1CC[NH+](C)CC1 ZINC000012219220 570627004 /nfs/dbraw/zinc/62/70/04/570627004.db2.gz GDKVRPTXCSFEEF-MOPGFXCFSA-N 2 2 395.544 2.218 50 0 GEAALP COC(=O)CC[C@H]1C[N@H+](Cc2cc3c(c(OC)c2)OCO3)CC[C@H]1[NH+](C)C ZINC000012278424 570632448 /nfs/dbraw/zinc/63/24/48/570632448.db2.gz PCWOSWUBTTYEAX-JKSUJKDBSA-N 2 2 378.469 2.129 50 0 GEAALP COC(=O)CC[C@H]1C[N@@H+](Cc2cc3c(c(OC)c2)OCO3)CC[C@H]1[NH+](C)C ZINC000012278424 570632450 /nfs/dbraw/zinc/63/24/50/570632450.db2.gz PCWOSWUBTTYEAX-JKSUJKDBSA-N 2 2 378.469 2.129 50 0 GEAALP CNS(=O)(=O)c1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccncc2)cc1 ZINC000055385365 570693634 /nfs/dbraw/zinc/69/36/34/570693634.db2.gz YKHNHOOXDREGES-UHFFFAOYSA-N 2 2 399.520 2.279 50 0 GEAALP CNS(=O)(=O)c1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccncc2)cc1 ZINC000055385365 570693639 /nfs/dbraw/zinc/69/36/39/570693639.db2.gz YKHNHOOXDREGES-UHFFFAOYSA-N 2 2 399.520 2.279 50 0 GEAALP O=C(C1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000426421723 231219256 /nfs/dbraw/zinc/21/92/56/231219256.db2.gz DKCPPTXMRAFPNH-UHFFFAOYSA-N 2 2 377.554 2.283 50 0 GEAALP CCN1C(=O)N(C[NH+]2CCCCC2)[C@@H]2[C@H]1N(C[NH+]1CCCCC1)C(=O)N2CC ZINC000002258875 209353670 /nfs/dbraw/zinc/35/36/70/209353670.db2.gz KFTJEUNODUHYCU-QZTJIDSGSA-N 2 2 392.548 2.040 50 0 GEAALP OCC[NH+]1CCN(c2nc3cc(F)ccc3cc2C[NH2+]Cc2ccco2)CC1 ZINC000299761589 212032294 /nfs/dbraw/zinc/03/22/94/212032294.db2.gz LERGZTDWDOIQRJ-UHFFFAOYSA-N 2 2 384.455 2.371 50 0 GEAALP COc1cc(Br)c(C[NH+]2CCN(CC[NH+](C)C)CC2)cc1OC ZINC000095958381 211287873 /nfs/dbraw/zinc/28/78/73/211287873.db2.gz PMKCDOVLVRGOGI-UHFFFAOYSA-N 2 2 386.334 2.146 50 0 GEAALP COc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095529378 211273839 /nfs/dbraw/zinc/27/38/39/211273839.db2.gz YYHKLDZOXWUSJU-GOSISDBHSA-N 2 2 380.529 2.386 50 0 GEAALP COc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095529378 211273843 /nfs/dbraw/zinc/27/38/43/211273843.db2.gz YYHKLDZOXWUSJU-GOSISDBHSA-N 2 2 380.529 2.386 50 0 GEAALP COc1ccc(C[NH+]2CCOC(C)(C)C2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095529378 211273848 /nfs/dbraw/zinc/27/38/48/211273848.db2.gz YYHKLDZOXWUSJU-GOSISDBHSA-N 2 2 380.529 2.386 50 0 GEAALP COc1ccc(C[NH+]2CCOC(C)(C)C2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095529378 211273852 /nfs/dbraw/zinc/27/38/52/211273852.db2.gz YYHKLDZOXWUSJU-GOSISDBHSA-N 2 2 380.529 2.386 50 0 GEAALP C[N@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1)C1CCSCC1 ZINC000095526124 211272075 /nfs/dbraw/zinc/27/20/75/211272075.db2.gz MOHZMWILRNFHRW-IBGZPJMESA-N 2 2 380.554 2.086 50 0 GEAALP C[N@@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1)C1CCSCC1 ZINC000095526124 211272077 /nfs/dbraw/zinc/27/20/77/211272077.db2.gz MOHZMWILRNFHRW-IBGZPJMESA-N 2 2 380.554 2.086 50 0 GEAALP Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095525161 211270938 /nfs/dbraw/zinc/27/09/38/211270938.db2.gz GNHXSJJQOIASBY-CQSZACIVSA-N 2 2 378.908 2.242 50 0 GEAALP COc1cccc(C[N@@H+]2CCCC2(C)C)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095522908 211270689 /nfs/dbraw/zinc/27/06/89/211270689.db2.gz GGYDGDGHLSYWOC-SFHVURJKSA-N 2 2 378.513 2.142 50 0 GEAALP COc1cccc(C[N@H+]2CCCC2(C)C)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095522908 211270691 /nfs/dbraw/zinc/27/06/91/211270691.db2.gz GGYDGDGHLSYWOC-SFHVURJKSA-N 2 2 378.513 2.142 50 0 GEAALP CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095525050 211269477 /nfs/dbraw/zinc/26/94/77/211269477.db2.gz REYMJDMVIFGZME-SFHVURJKSA-N 2 2 378.480 2.492 50 0 GEAALP COc1cc(C[N@H+](C)CC2CCCC2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095498579 211252988 /nfs/dbraw/zinc/25/29/88/211252988.db2.gz BJLZYHQFZYKWFT-FQEVSTJZSA-N 2 2 392.540 2.389 50 0 GEAALP COc1cc(C[N@@H+](C)CC2CCCC2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095498579 211252992 /nfs/dbraw/zinc/25/29/92/211252992.db2.gz BJLZYHQFZYKWFT-FQEVSTJZSA-N 2 2 392.540 2.389 50 0 GEAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCSCC1 ZINC000092001445 211211915 /nfs/dbraw/zinc/21/19/15/211211915.db2.gz UTGQIHVPSNKAJQ-IBGZPJMESA-N 2 2 388.581 2.333 50 0 GEAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCSCC1 ZINC000092001445 211211919 /nfs/dbraw/zinc/21/19/19/211211919.db2.gz UTGQIHVPSNKAJQ-IBGZPJMESA-N 2 2 388.581 2.333 50 0 GEAALP CCNc1ncc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)cn1 ZINC000082099677 211159343 /nfs/dbraw/zinc/15/93/43/211159343.db2.gz JSEWLVPQHOAFPY-UHFFFAOYSA-N 2 2 384.532 2.276 50 0 GEAALP CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CCC[NH+](Cc3ccccc3F)CC2)C1 ZINC000077337287 211131494 /nfs/dbraw/zinc/13/14/94/211131494.db2.gz UHDWZFOZOZVMLC-IBGZPJMESA-N 2 2 377.504 2.359 50 0 GEAALP CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCC[NH+](Cc3ccccc3F)CC2)C1 ZINC000077337287 211131497 /nfs/dbraw/zinc/13/14/97/211131497.db2.gz UHDWZFOZOZVMLC-IBGZPJMESA-N 2 2 377.504 2.359 50 0 GEAALP CC(C)[NH+]1CCO[C@@H](CC(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)C1 ZINC000077337287 211131501 /nfs/dbraw/zinc/13/15/01/211131501.db2.gz UHDWZFOZOZVMLC-IBGZPJMESA-N 2 2 377.504 2.359 50 0 GEAALP CC(C)[NH+]1CCO[C@@H](CC(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)C1 ZINC000077337287 211131504 /nfs/dbraw/zinc/13/15/04/211131504.db2.gz UHDWZFOZOZVMLC-IBGZPJMESA-N 2 2 377.504 2.359 50 0 GEAALP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NS(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000072411384 211114493 /nfs/dbraw/zinc/11/44/93/211114493.db2.gz LQDGYWHWKLSILF-SJORKVTESA-N 2 2 377.510 2.316 50 0 GEAALP C[N@H+](CCc1ccccc1)C1(C(=O)N2CC[NH+](C)CC2)Cc2ccccc2C1 ZINC000072161137 211077766 /nfs/dbraw/zinc/07/77/66/211077766.db2.gz VMTNSMAGONZURD-UHFFFAOYSA-N 2 2 377.532 2.473 50 0 GEAALP C[N@@H+](CCc1ccccc1)C1(C(=O)N2CC[NH+](C)CC2)Cc2ccccc2C1 ZINC000072161137 211077770 /nfs/dbraw/zinc/07/77/70/211077770.db2.gz VMTNSMAGONZURD-UHFFFAOYSA-N 2 2 377.532 2.473 50 0 GEAALP OC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C[C@H]1O ZINC000072126417 211072520 /nfs/dbraw/zinc/07/25/20/211072520.db2.gz RQKBQRPYSFCZDA-CRAIPNDOSA-N 2 2 379.888 2.181 50 0 GEAALP OC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCCCn2cc[nH+]c2)C[C@H]1O ZINC000072126417 211072524 /nfs/dbraw/zinc/07/25/24/211072524.db2.gz RQKBQRPYSFCZDA-CRAIPNDOSA-N 2 2 379.888 2.181 50 0 GEAALP Cc1[nH]c(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)c[nH+]1 ZINC000071614839 211050781 /nfs/dbraw/zinc/05/07/81/211050781.db2.gz FOQIALNYJJMQDY-IBGZPJMESA-N 2 2 396.539 2.106 50 0 GEAALP Cc1[nH]c(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)c[nH+]1 ZINC000071614839 211050785 /nfs/dbraw/zinc/05/07/85/211050785.db2.gz FOQIALNYJJMQDY-IBGZPJMESA-N 2 2 396.539 2.106 50 0 GEAALP Cc1[nH]cc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)[nH+]1 ZINC000071614839 211050787 /nfs/dbraw/zinc/05/07/87/211050787.db2.gz FOQIALNYJJMQDY-IBGZPJMESA-N 2 2 396.539 2.106 50 0 GEAALP Cc1[nH]cc(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)[nH+]1 ZINC000071614839 211050790 /nfs/dbraw/zinc/05/07/90/211050790.db2.gz FOQIALNYJJMQDY-IBGZPJMESA-N 2 2 396.539 2.106 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC000067982021 211034028 /nfs/dbraw/zinc/03/40/28/211034028.db2.gz RSBOTAUZEOTFHG-IBGZPJMESA-N 2 2 389.540 2.134 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC000067982021 211034031 /nfs/dbraw/zinc/03/40/31/211034031.db2.gz RSBOTAUZEOTFHG-IBGZPJMESA-N 2 2 389.540 2.134 50 0 GEAALP CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)cnn2c1 ZINC000067713740 211017982 /nfs/dbraw/zinc/01/79/82/211017982.db2.gz KWEFANOIDSNFLT-KRWDZBQOSA-N 2 2 395.511 2.320 50 0 GEAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C1)N1CCOCC1 ZINC000067695488 211017372 /nfs/dbraw/zinc/01/73/72/211017372.db2.gz MFKTWXDHKYIULA-LJQANCHMSA-N 2 2 389.515 2.361 50 0 GEAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(F)c3)CC2)C1)N1CCOCC1 ZINC000067695488 211017377 /nfs/dbraw/zinc/01/73/77/211017377.db2.gz MFKTWXDHKYIULA-LJQANCHMSA-N 2 2 389.515 2.361 50 0 GEAALP O=c1n(Cc2c[nH+]cn2C2CC2)nc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000065435448 210994958 /nfs/dbraw/zinc/99/49/58/210994958.db2.gz JVMXMXASPNUOPQ-UHFFFAOYSA-N 2 2 378.480 2.156 50 0 GEAALP O[C@H](COc1cccc(C[NH2+]CCc2ccccc2F)c1)C[NH+]1CCOCC1 ZINC000020255779 210325071 /nfs/dbraw/zinc/32/50/71/210325071.db2.gz RGMNMEPDXITMBB-FQEVSTJZSA-N 2 2 388.483 2.230 50 0 GEAALP Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000011934148 221137404 /nfs/dbraw/zinc/13/74/04/221137404.db2.gz BRORECRWORJMJY-HXUWFJFHSA-N 2 2 393.535 2.285 50 0 GEAALP Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000011934148 221137406 /nfs/dbraw/zinc/13/74/06/221137406.db2.gz BRORECRWORJMJY-HXUWFJFHSA-N 2 2 393.535 2.285 50 0 GEAALP Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000011934149 221137879 /nfs/dbraw/zinc/13/78/79/221137879.db2.gz BRORECRWORJMJY-FQEVSTJZSA-N 2 2 393.535 2.285 50 0 GEAALP Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000011934149 221137882 /nfs/dbraw/zinc/13/78/82/221137882.db2.gz BRORECRWORJMJY-FQEVSTJZSA-N 2 2 393.535 2.285 50 0 GEAALP C[NH+]1CCN(c2ncccc2CNC(=O)c2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000067688373 136164821 /nfs/dbraw/zinc/16/48/21/136164821.db2.gz FYZIAXZGMYUGJK-UHFFFAOYSA-N 2 2 376.464 2.154 50 0 GEAALP COc1ccc(CN2CCN(c3ccc(Cn4cc[nH+]c4)c[nH+]3)CC2=O)cc1 ZINC000077390237 136172136 /nfs/dbraw/zinc/17/21/36/136172136.db2.gz VMJJSZGOSMDFKT-UHFFFAOYSA-N 2 2 377.448 2.184 50 0 GEAALP O[C@@H]1CCCN(c2cc[nH+]c(N3CCC(c4[nH+]ccn4CC4CC4)CC3)n2)C1 ZINC000095525231 136181388 /nfs/dbraw/zinc/18/13/88/136181388.db2.gz LPIDFQXEPFHDDT-GOSISDBHSA-N 2 2 382.512 2.428 50 0 GEAALP CCc1cnc(C)nc1N1CC[N@@H+](C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000106967344 136191667 /nfs/dbraw/zinc/19/16/67/136191667.db2.gz KCXCBIFCDHHDHE-FQEVSTJZSA-N 2 2 375.561 2.093 50 0 GEAALP CCc1cnc(C)nc1N1CC[N@H+](C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000106967344 136191668 /nfs/dbraw/zinc/19/16/68/136191668.db2.gz KCXCBIFCDHHDHE-FQEVSTJZSA-N 2 2 375.561 2.093 50 0 GEAALP C[NH+]1CCC(OCCCNC(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000584901256 570270664 /nfs/dbraw/zinc/27/06/64/570270664.db2.gz IEZTYZGLMFIRAR-UHFFFAOYSA-N 2 2 392.519 2.154 50 0 GEAALP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000023375137 570358516 /nfs/dbraw/zinc/35/85/16/570358516.db2.gz XBHBWXCJKIAGTA-IBGZPJMESA-N 2 2 378.948 2.058 50 0 GEAALP CC[NH+]1CCN(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000023375137 570358518 /nfs/dbraw/zinc/35/85/18/570358518.db2.gz XBHBWXCJKIAGTA-IBGZPJMESA-N 2 2 378.948 2.058 50 0 GEAALP [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)nn2)CC1 ZINC000244763856 570433588 /nfs/dbraw/zinc/43/35/88/570433588.db2.gz OWPPZJKABVJJPZ-FGTMMUONSA-N 2 2 379.468 2.088 50 0 GEAALP COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000011843002 570587829 /nfs/dbraw/zinc/58/78/29/570587829.db2.gz RFKBLAHZQFLVCT-GOSISDBHSA-N 2 2 387.524 2.333 50 0 GEAALP COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000011843002 570587831 /nfs/dbraw/zinc/58/78/31/570587831.db2.gz RFKBLAHZQFLVCT-GOSISDBHSA-N 2 2 387.524 2.333 50 0 GEAALP CCC[NH+]1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3C)CC2)CC1 ZINC000248083173 570720399 /nfs/dbraw/zinc/72/03/99/570720399.db2.gz QMBFOPYIYNQDQT-UHFFFAOYSA-N 2 2 383.540 2.340 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000067560517 570781520 /nfs/dbraw/zinc/78/15/20/570781520.db2.gz IHQIUJGKLVJHPR-IBGZPJMESA-N 2 2 389.540 2.134 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC000067560517 570781522 /nfs/dbraw/zinc/78/15/22/570781522.db2.gz IHQIUJGKLVJHPR-IBGZPJMESA-N 2 2 389.540 2.134 50 0 GEAALP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3N3CCCCC3)C2)CC1 ZINC000170607419 570864154 /nfs/dbraw/zinc/86/41/54/570864154.db2.gz WHNNZQAAFVGQQR-HXUWFJFHSA-N 2 2 399.583 2.327 50 0 GEAALP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3N3CCCCC3)C2)CC1 ZINC000170607419 570864155 /nfs/dbraw/zinc/86/41/55/570864155.db2.gz WHNNZQAAFVGQQR-HXUWFJFHSA-N 2 2 399.583 2.327 50 0 GEAALP C[N@@H+]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)[C@H](c2ccccc2)C1 ZINC000045968910 571008467 /nfs/dbraw/zinc/00/84/67/571008467.db2.gz VUMQJFYGYKFRHY-FQEVSTJZSA-N 2 2 395.507 2.117 50 0 GEAALP C[N@H+]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)[C@H](c2ccccc2)C1 ZINC000045968910 571008468 /nfs/dbraw/zinc/00/84/68/571008468.db2.gz VUMQJFYGYKFRHY-FQEVSTJZSA-N 2 2 395.507 2.117 50 0 GEAALP Cn1cc[nH+]c1CN(CCO)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000426434443 231221204 /nfs/dbraw/zinc/22/12/04/231221204.db2.gz IWAXGNLIFKJTCP-UHFFFAOYSA-N 2 2 377.533 2.113 50 0 GEAALP [NH3+]C[C@H]1CN(C(=O)c2cccc(-c3ccc(Cn4cc[nH+]c4)cc3)c2)CCO1 ZINC000426730379 231256911 /nfs/dbraw/zinc/25/69/11/231256911.db2.gz IABPLDMCNWJTQF-NRFANRHFSA-N 2 2 376.460 2.398 50 0 GEAALP Cc1c2ccccc2[nH]c1C[NH+]1CCC(c2nnc(C[N@H+](C)CCO)n2C)CC1 ZINC000096131331 211304551 /nfs/dbraw/zinc/30/45/51/211304551.db2.gz FNVREVYDBODECI-UHFFFAOYSA-N 2 2 396.539 2.409 50 0 GEAALP Cc1c2ccccc2[nH]c1C[NH+]1CCC(c2nnc(C[N@@H+](C)CCO)n2C)CC1 ZINC000096131331 211304556 /nfs/dbraw/zinc/30/45/56/211304556.db2.gz FNVREVYDBODECI-UHFFFAOYSA-N 2 2 396.539 2.409 50 0 GEAALP COCCCNC(=O)c1cccc(OC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000095526014 211273284 /nfs/dbraw/zinc/27/32/84/211273284.db2.gz GIHWMCLYPXAGNB-UHFFFAOYSA-N 2 2 389.540 2.390 50 0 GEAALP COc1cc(C[NH+]2Cc3ccccc3C2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095517334 211264788 /nfs/dbraw/zinc/26/47/88/211264788.db2.gz HIFXLQSBIIOKIX-OAQYLSRUSA-N 2 2 398.503 2.283 50 0 GEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000095505714 211257986 /nfs/dbraw/zinc/25/79/86/211257986.db2.gz GNTYSGBSOKTMJS-MRXNPFEDSA-N 2 2 384.528 2.457 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000095387399 211235564 /nfs/dbraw/zinc/23/55/64/211235564.db2.gz KJRPGLNLAOACJQ-OAHLLOKOSA-N 2 2 376.468 2.316 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000095387399 211235567 /nfs/dbraw/zinc/23/55/67/211235567.db2.gz KJRPGLNLAOACJQ-OAHLLOKOSA-N 2 2 376.468 2.316 50 0 GEAALP CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1C ZINC000095379585 211232331 /nfs/dbraw/zinc/23/23/31/211232331.db2.gz BJDBYANUCIIGAG-QGZVFWFLSA-N 2 2 382.516 2.273 50 0 GEAALP CCn1nc(C)c(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1C ZINC000095379585 211232338 /nfs/dbraw/zinc/23/23/38/211232338.db2.gz BJDBYANUCIIGAG-QGZVFWFLSA-N 2 2 382.516 2.273 50 0 GEAALP Cn1cc[nH+]c1C1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000091770389 211206091 /nfs/dbraw/zinc/20/60/91/211206091.db2.gz WSPKXKLUSJFCEW-FQEVSTJZSA-N 2 2 382.508 2.417 50 0 GEAALP Cn1cc[nH+]c1C1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000091770389 211206094 /nfs/dbraw/zinc/20/60/94/211206094.db2.gz WSPKXKLUSJFCEW-FQEVSTJZSA-N 2 2 382.508 2.417 50 0 GEAALP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091486514 211193863 /nfs/dbraw/zinc/19/38/63/211193863.db2.gz HHMOCSQONQVABV-KOUHRCEDSA-N 2 2 384.524 2.022 50 0 GEAALP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091486514 211193866 /nfs/dbraw/zinc/19/38/66/211193866.db2.gz HHMOCSQONQVABV-KOUHRCEDSA-N 2 2 384.524 2.022 50 0 GEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091486514 211193868 /nfs/dbraw/zinc/19/38/68/211193868.db2.gz HHMOCSQONQVABV-KOUHRCEDSA-N 2 2 384.524 2.022 50 0 GEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091486514 211193871 /nfs/dbraw/zinc/19/38/71/211193871.db2.gz HHMOCSQONQVABV-KOUHRCEDSA-N 2 2 384.524 2.022 50 0 GEAALP Cc1[nH+]ccn1-c1cc(NCCNS(=O)(=O)c2ccc(Cl)cc2)[nH+]cn1 ZINC000082230273 211163372 /nfs/dbraw/zinc/16/33/72/211163372.db2.gz SUJPIPPIDOZULI-UHFFFAOYSA-N 2 2 392.872 2.015 50 0 GEAALP CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CCC[NH+](Cc3ccccc3F)CC2)C1 ZINC000077337283 211131197 /nfs/dbraw/zinc/13/11/97/211131197.db2.gz UHDWZFOZOZVMLC-LJQANCHMSA-N 2 2 377.504 2.359 50 0 GEAALP CC(C)[N@H+]1CCO[C@H](CC(=O)N2CCC[NH+](Cc3ccccc3F)CC2)C1 ZINC000077337283 211131199 /nfs/dbraw/zinc/13/11/99/211131199.db2.gz UHDWZFOZOZVMLC-LJQANCHMSA-N 2 2 377.504 2.359 50 0 GEAALP CC(C)[NH+]1CCO[C@H](CC(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)C1 ZINC000077337283 211131201 /nfs/dbraw/zinc/13/12/01/211131201.db2.gz UHDWZFOZOZVMLC-LJQANCHMSA-N 2 2 377.504 2.359 50 0 GEAALP CC(C)[NH+]1CCO[C@H](CC(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)C1 ZINC000077337283 211131203 /nfs/dbraw/zinc/13/12/03/211131203.db2.gz UHDWZFOZOZVMLC-LJQANCHMSA-N 2 2 377.504 2.359 50 0 GEAALP O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000071746152 211054085 /nfs/dbraw/zinc/05/40/85/211054085.db2.gz WRBKVODOSBPAHH-NRFANRHFSA-N 2 2 386.540 2.053 50 0 GEAALP CCN(CCOC)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071748093 211053210 /nfs/dbraw/zinc/05/32/10/211053210.db2.gz BGDBTKNTUQXALU-HXUWFJFHSA-N 2 2 388.556 2.253 50 0 GEAALP CCN(CCOC)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071748093 211053212 /nfs/dbraw/zinc/05/32/12/211053212.db2.gz BGDBTKNTUQXALU-HXUWFJFHSA-N 2 2 388.556 2.253 50 0 GEAALP O=C(NCCc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071746395 211052839 /nfs/dbraw/zinc/05/28/39/211052839.db2.gz HYSGLGNLYACVDF-HXUWFJFHSA-N 3 2 395.551 2.445 50 0 GEAALP O=C(NCCc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071746395 211052843 /nfs/dbraw/zinc/05/28/43/211052843.db2.gz HYSGLGNLYACVDF-HXUWFJFHSA-N 3 2 395.551 2.445 50 0 GEAALP CN(C)c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071708117 211051440 /nfs/dbraw/zinc/05/14/40/211051440.db2.gz UKKURWJWSPRBIS-SFHVURJKSA-N 2 2 385.556 2.103 50 0 GEAALP CN(C)c1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071708117 211051446 /nfs/dbraw/zinc/05/14/46/211051446.db2.gz UKKURWJWSPRBIS-SFHVURJKSA-N 2 2 385.556 2.103 50 0 GEAALP Cc1[nH]c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)c[nH+]1 ZINC000071614843 211050566 /nfs/dbraw/zinc/05/05/66/211050566.db2.gz FOQIALNYJJMQDY-LJQANCHMSA-N 2 2 396.539 2.106 50 0 GEAALP Cc1[nH]c(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)c[nH+]1 ZINC000071614843 211050569 /nfs/dbraw/zinc/05/05/69/211050569.db2.gz FOQIALNYJJMQDY-LJQANCHMSA-N 2 2 396.539 2.106 50 0 GEAALP Cc1[nH]cc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)[nH+]1 ZINC000071614843 211050576 /nfs/dbraw/zinc/05/05/76/211050576.db2.gz FOQIALNYJJMQDY-LJQANCHMSA-N 2 2 396.539 2.106 50 0 GEAALP Cc1[nH]cc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)[nH+]1 ZINC000071614843 211050582 /nfs/dbraw/zinc/05/05/82/211050582.db2.gz FOQIALNYJJMQDY-LJQANCHMSA-N 2 2 396.539 2.106 50 0 GEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000071419246 211048940 /nfs/dbraw/zinc/04/89/40/211048940.db2.gz BLHDZBRDMHRKQE-LJQANCHMSA-N 2 2 397.523 2.371 50 0 GEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000071419246 211048944 /nfs/dbraw/zinc/04/89/44/211048944.db2.gz BLHDZBRDMHRKQE-LJQANCHMSA-N 2 2 397.523 2.371 50 0 GEAALP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000067895094 211028103 /nfs/dbraw/zinc/02/81/03/211028103.db2.gz KMXMIAOWADINNI-KRWDZBQOSA-N 2 2 385.508 2.370 50 0 GEAALP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000067895094 211028106 /nfs/dbraw/zinc/02/81/06/211028106.db2.gz KMXMIAOWADINNI-KRWDZBQOSA-N 2 2 385.508 2.370 50 0 GEAALP C[C@H](Nc1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1)c1ccccc1-n1cccn1 ZINC000065410141 136163829 /nfs/dbraw/zinc/16/38/29/136163829.db2.gz BJDANMJZBYFRNU-HNNXBMFYSA-N 2 2 378.484 2.169 50 0 GEAALP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000072292475 136167865 /nfs/dbraw/zinc/16/78/65/136167865.db2.gz VYDVECSOJCGKLW-OAHLLOKOSA-N 2 2 379.468 2.476 50 0 GEAALP C[NH2+]CCN1C(=O)CC[C@H]2CN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC[C@H]21 ZINC000072435637 136170329 /nfs/dbraw/zinc/17/03/29/136170329.db2.gz YHCBHGXXOWCXLF-RBUKOAKNSA-N 2 2 379.508 2.489 50 0 GEAALP Cc1[nH+]c(N2CCCC2)nc(N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3C)c1C ZINC000091493092 136176431 /nfs/dbraw/zinc/17/64/31/136176431.db2.gz PGKGJNBBMWOCNZ-UHFFFAOYSA-N 2 2 381.528 2.400 50 0 GEAALP Cc1[nH+]c(N2CCCC2)nc(N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)c1C ZINC000091493092 136176432 /nfs/dbraw/zinc/17/64/32/136176432.db2.gz PGKGJNBBMWOCNZ-UHFFFAOYSA-N 2 2 381.528 2.400 50 0 GEAALP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000095369495 136178507 /nfs/dbraw/zinc/17/85/07/136178507.db2.gz QCJRXHJWPYQESS-FQEVSTJZSA-N 2 2 380.492 2.199 50 0 GEAALP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000095369495 136178508 /nfs/dbraw/zinc/17/85/08/136178508.db2.gz QCJRXHJWPYQESS-FQEVSTJZSA-N 2 2 380.492 2.199 50 0 GEAALP CCc1cc(N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4C)n3C)C2)nc(C)[nH+]1 ZINC000095387641 136179003 /nfs/dbraw/zinc/17/90/03/136179003.db2.gz UXMROFBDOVWVOE-MRXNPFEDSA-N 2 2 380.500 2.413 50 0 GEAALP [NH3+][C@H]1CCN(C(=O)c2cccnc2N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000237916654 136192401 /nfs/dbraw/zinc/19/24/01/136192401.db2.gz SMAZOMLLBXXAAA-SFHVURJKSA-N 2 2 399.926 2.230 50 0 GEAALP CCOc1ccccc1C[N@@H+]1CCN(c2[nH+]cnc3[nH]ccc32)C[C@H]1CCO ZINC000106954199 136201663 /nfs/dbraw/zinc/20/16/63/136201663.db2.gz AHMCRVHWSLQYLL-QGZVFWFLSA-N 2 2 381.480 2.430 50 0 GEAALP CCOc1ccccc1C[N@H+]1CCN(c2[nH+]cnc3[nH]ccc32)C[C@H]1CCO ZINC000106954199 136201664 /nfs/dbraw/zinc/20/16/64/136201664.db2.gz AHMCRVHWSLQYLL-QGZVFWFLSA-N 2 2 381.480 2.430 50 0 GEAALP Nc1nc(N2CCN(c3ccc(F)c(Cl)c3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000219252042 136204117 /nfs/dbraw/zinc/20/41/17/136204117.db2.gz MAVJUFFHMONKAH-HAQNSBGRSA-N 2 2 376.867 2.383 50 0 GEAALP Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C)C2)CC1 ZINC000426420592 533793250 /nfs/dbraw/zinc/79/32/50/533793250.db2.gz KBFZRQSGDDZQKY-QGZVFWFLSA-N 2 2 394.947 2.306 50 0 GEAALP Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C)C2)CC1 ZINC000426420592 533793259 /nfs/dbraw/zinc/79/32/59/533793259.db2.gz KBFZRQSGDDZQKY-QGZVFWFLSA-N 2 2 394.947 2.306 50 0 GEAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)Cc3cccnc3)c2)CC1 ZINC000022913396 570334138 /nfs/dbraw/zinc/33/41/38/570334138.db2.gz BYZZDKCBVXRMRP-QFIPXVFZSA-N 2 2 398.551 2.091 50 0 GEAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)Cc3cccnc3)c2)CC1 ZINC000022913396 570334141 /nfs/dbraw/zinc/33/41/41/570334141.db2.gz BYZZDKCBVXRMRP-QFIPXVFZSA-N 2 2 398.551 2.091 50 0 GEAALP O=C(C[N@@H+]1CCOc2ccccc2C1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000219330998 570355552 /nfs/dbraw/zinc/35/55/52/570355552.db2.gz MJAUYZZRVBZAIA-UHFFFAOYSA-N 2 2 380.492 2.057 50 0 GEAALP O=C(C[N@H+]1CCOc2ccccc2C1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000219330998 570355556 /nfs/dbraw/zinc/35/55/56/570355556.db2.gz MJAUYZZRVBZAIA-UHFFFAOYSA-N 2 2 380.492 2.057 50 0 GEAALP c1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C4CCOCC4)C3)CC2)cc2c1OCO2 ZINC000023373707 570357927 /nfs/dbraw/zinc/35/79/27/570357927.db2.gz FZLYOXFDHBMSBO-HXUWFJFHSA-N 2 2 387.524 2.176 50 0 GEAALP c1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C4CCOCC4)C3)CC2)cc2c1OCO2 ZINC000023373707 570357929 /nfs/dbraw/zinc/35/79/29/570357929.db2.gz FZLYOXFDHBMSBO-HXUWFJFHSA-N 2 2 387.524 2.176 50 0 GEAALP COc1cccc(C(=O)NCCNc2cc(-n3cc[nH+]c3C)nc(C)[nH+]2)c1OC ZINC000035598156 570400739 /nfs/dbraw/zinc/40/07/39/570400739.db2.gz OFLKZZUPVXZWAP-UHFFFAOYSA-N 2 2 396.451 2.138 50 0 GEAALP C[C@H]([NH2+]C1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1COc2ccccc21 ZINC000225634843 570596425 /nfs/dbraw/zinc/59/64/25/570596425.db2.gz HATJJSUANCIJMW-KSSFIOAISA-N 2 2 378.480 2.486 50 0 GEAALP O[C@@H](COc1cccc(C[NH2+]Cc2ccc(F)cc2F)c1)C[NH+]1CCOCC1 ZINC000012597327 570690173 /nfs/dbraw/zinc/69/01/73/570690173.db2.gz NENVECPBEJIKNB-LJQANCHMSA-N 2 2 392.446 2.327 50 0 GEAALP Cc1ccc(C[NH2+]Cc2cccc(OC[C@H](O)C[NH+]3CCOCC3)c2)s1 ZINC000012704476 570699975 /nfs/dbraw/zinc/69/99/75/570699975.db2.gz KRNITARJGLPHBW-GOSISDBHSA-N 2 2 376.522 2.418 50 0 GEAALP CC(C)[NH+]1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3C)CC2)CC1 ZINC000248026095 570719652 /nfs/dbraw/zinc/71/96/52/570719652.db2.gz LRGKUAANCGQMLD-UHFFFAOYSA-N 2 2 383.540 2.338 50 0 GEAALP CCn1nc(C)c(C[N@H+](CCOC)C[C@]2(O)CCC[NH+]3CCCC[C@@H]32)c1C ZINC000063833862 570750794 /nfs/dbraw/zinc/75/07/94/570750794.db2.gz XUKVZEOINDZYSN-NHCUHLMSSA-N 2 2 378.561 2.348 50 0 GEAALP CCn1nc(C)c(C[N@@H+](CCOC)C[C@]2(O)CCC[NH+]3CCCC[C@@H]32)c1C ZINC000063833862 570750798 /nfs/dbraw/zinc/75/07/98/570750798.db2.gz XUKVZEOINDZYSN-NHCUHLMSSA-N 2 2 378.561 2.348 50 0 GEAALP CCn1nc(C)c(C[NH+](CCOC)C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)c1C ZINC000063833862 570750802 /nfs/dbraw/zinc/75/08/02/570750802.db2.gz XUKVZEOINDZYSN-NHCUHLMSSA-N 2 2 378.561 2.348 50 0 GEAALP CCn1nc(C)c(C[NH+](CCOC)C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)c1C ZINC000063833862 570750805 /nfs/dbraw/zinc/75/08/05/570750805.db2.gz XUKVZEOINDZYSN-NHCUHLMSSA-N 2 2 378.561 2.348 50 0 GEAALP COc1ccc(CC(=O)NCCNc2cc(-n3cc[nH+]c3C)nc(C)[nH+]2)cc1 ZINC000096544711 570756848 /nfs/dbraw/zinc/75/68/48/570756848.db2.gz WOOGRIFZSWWADY-UHFFFAOYSA-N 2 2 380.452 2.059 50 0 GEAALP COc1ccc(C[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000037170654 570845063 /nfs/dbraw/zinc/84/50/63/570845063.db2.gz MIQOXWIEKZJZLW-UHFFFAOYSA-N 2 2 386.471 2.400 50 0 GEAALP COc1ccc(C[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000037170654 570845067 /nfs/dbraw/zinc/84/50/67/570845067.db2.gz MIQOXWIEKZJZLW-UHFFFAOYSA-N 2 2 386.471 2.400 50 0 GEAALP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000012555312 570858309 /nfs/dbraw/zinc/85/83/09/570858309.db2.gz VDHVXWFPBOQKSP-UHFFFAOYSA-N 2 2 392.547 2.461 50 0 GEAALP CC[NH+](CC)[C@H](CNC(=O)CSc1[nH+]cnc2c1cnn2C)c1ccco1 ZINC000089967810 570921942 /nfs/dbraw/zinc/92/19/42/570921942.db2.gz PEMSIUJUNJSBGK-CQSZACIVSA-N 2 2 388.497 2.248 50 0 GEAALP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000252511645 570981689 /nfs/dbraw/zinc/98/16/89/570981689.db2.gz IZUIPSQIWPNMNJ-CEMLEFRQSA-N 2 2 398.595 2.181 50 0 GEAALP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000252511645 570981693 /nfs/dbraw/zinc/98/16/93/570981693.db2.gz IZUIPSQIWPNMNJ-CEMLEFRQSA-N 2 2 398.595 2.181 50 0 GEAALP CCCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000014745418 210126139 /nfs/dbraw/zinc/12/61/39/210126139.db2.gz XKGHMVKWGUWIHF-LJQANCHMSA-N 2 2 395.551 2.328 50 0 GEAALP COCC[N@H+](C)CCNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC000072306969 531917564 /nfs/dbraw/zinc/91/75/64/531917564.db2.gz PUVBWMSWJBAKAF-KRWDZBQOSA-N 2 2 398.345 2.280 50 0 GEAALP COCC[N@@H+](C)CCNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC000072306969 531917575 /nfs/dbraw/zinc/91/75/75/531917575.db2.gz PUVBWMSWJBAKAF-KRWDZBQOSA-N 2 2 398.345 2.280 50 0 GEAALP CC[C@H]1C[N@H+](CCNC(=O)CCn2cc[nH+]c2C)Cc2cc(OC)ccc2O1 ZINC000299782610 212037382 /nfs/dbraw/zinc/03/73/82/212037382.db2.gz XMTROGSVCQTCAD-SFHVURJKSA-N 2 2 386.496 2.380 50 0 GEAALP CC[C@H]1C[N@@H+](CCNC(=O)CCn2cc[nH+]c2C)Cc2cc(OC)ccc2O1 ZINC000299782610 212037384 /nfs/dbraw/zinc/03/73/84/212037384.db2.gz XMTROGSVCQTCAD-SFHVURJKSA-N 2 2 386.496 2.380 50 0 GEAALP CN1CC[N@@H+](C)[C@H](CC(=O)NC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000097394058 211365031 /nfs/dbraw/zinc/36/50/31/211365031.db2.gz IAFQJLUBMIKJGQ-GOSISDBHSA-N 2 2 378.948 2.057 50 0 GEAALP CN1CC[N@H+](C)C[C@H]1CC(=O)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000097394058 211365035 /nfs/dbraw/zinc/36/50/35/211365035.db2.gz IAFQJLUBMIKJGQ-GOSISDBHSA-N 2 2 378.948 2.057 50 0 GEAALP CN1CC[N@@H+](C)C[C@H]1CC(=O)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000097394058 211365041 /nfs/dbraw/zinc/36/50/41/211365041.db2.gz IAFQJLUBMIKJGQ-GOSISDBHSA-N 2 2 378.948 2.057 50 0 GEAALP CN1CC[N@H+](C)[C@H](CC(=O)NC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000097394058 211365026 /nfs/dbraw/zinc/36/50/26/211365026.db2.gz IAFQJLUBMIKJGQ-GOSISDBHSA-N 2 2 378.948 2.057 50 0 GEAALP COc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095527929 211271485 /nfs/dbraw/zinc/27/14/85/211271485.db2.gz RPTDCMHAZKIXGI-GOSISDBHSA-N 2 2 378.513 2.142 50 0 GEAALP COc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095527929 211271491 /nfs/dbraw/zinc/27/14/91/211271491.db2.gz RPTDCMHAZKIXGI-GOSISDBHSA-N 2 2 378.513 2.142 50 0 GEAALP Cn1ncc(Cl)c1C(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095525160 211270462 /nfs/dbraw/zinc/27/04/62/211270462.db2.gz GNHXSJJQOIASBY-AWEZNQCLSA-N 2 2 378.908 2.242 50 0 GEAALP COc1cc(C[N@H+](C)Cc2cc(C)on2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095519608 211266643 /nfs/dbraw/zinc/26/66/43/211266643.db2.gz NXSDQKWHGAAYCV-IBGZPJMESA-N 2 2 389.496 2.459 50 0 GEAALP COc1cc(C[N@@H+](C)Cc2cc(C)on2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095519608 211266646 /nfs/dbraw/zinc/26/66/46/211266646.db2.gz NXSDQKWHGAAYCV-IBGZPJMESA-N 2 2 389.496 2.459 50 0 GEAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[NH+]3CCCCC3)cc2OC)CC1 ZINC000095501262 211253067 /nfs/dbraw/zinc/25/30/67/211253067.db2.gz ANOAKURYYCSLBZ-FQEVSTJZSA-N 2 2 391.556 2.058 50 0 GEAALP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000095381585 211231829 /nfs/dbraw/zinc/23/18/29/211231829.db2.gz UYQQUYLNKGPAES-UHFFFAOYSA-N 2 2 392.301 2.471 50 0 GEAALP OCCC[C@@H]1CN(Cc2c[nH+]c(CC3CCCC3)[nH]2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095365559 211226539 /nfs/dbraw/zinc/22/65/39/211226539.db2.gz ZIIFSGLZCJKWEB-CTNGQTDRSA-N 2 2 390.572 2.438 50 0 GEAALP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000078931631 211151024 /nfs/dbraw/zinc/15/10/24/211151024.db2.gz DUGPMRZUIXMKKT-CYBMUJFWSA-N 2 2 384.318 2.477 50 0 GEAALP CC[N@H+](C)Cc1cc2n(n1)CC[NH+](CCC(=O)N1CCc3ccccc3C1)C2 ZINC000072156993 211077560 /nfs/dbraw/zinc/07/75/60/211077560.db2.gz FRZWDRSKNPUTLN-UHFFFAOYSA-N 2 2 381.524 2.125 50 0 GEAALP CC[N@@H+](C)Cc1cc2n(n1)CC[NH+](CCC(=O)N1CCc3ccccc3C1)C2 ZINC000072156993 211077562 /nfs/dbraw/zinc/07/75/62/211077562.db2.gz FRZWDRSKNPUTLN-UHFFFAOYSA-N 2 2 381.524 2.125 50 0 GEAALP CC[NH+](C)Cc1cc2n(n1)CC[N@H+](CCC(=O)N1CCc3ccccc3C1)C2 ZINC000072156993 211077564 /nfs/dbraw/zinc/07/75/64/211077564.db2.gz FRZWDRSKNPUTLN-UHFFFAOYSA-N 2 2 381.524 2.125 50 0 GEAALP CC[NH+](C)Cc1cc2n(n1)CC[N@@H+](CCC(=O)N1CCc3ccccc3C1)C2 ZINC000072156993 211077567 /nfs/dbraw/zinc/07/75/67/211077567.db2.gz FRZWDRSKNPUTLN-UHFFFAOYSA-N 2 2 381.524 2.125 50 0 GEAALP CN(Cc1ccon1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071763024 211059599 /nfs/dbraw/zinc/05/95/99/211059599.db2.gz JPKODCTYIDSLBX-IBGZPJMESA-N 2 2 397.523 2.405 50 0 GEAALP CN(Cc1ccon1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071763024 211059602 /nfs/dbraw/zinc/05/96/02/211059602.db2.gz JPKODCTYIDSLBX-IBGZPJMESA-N 2 2 397.523 2.405 50 0 GEAALP O=C(NCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071747337 211054177 /nfs/dbraw/zinc/05/41/77/211054177.db2.gz DPCUMMLXARMNAN-NRFANRHFSA-N 3 2 395.551 2.376 50 0 GEAALP O=C(NCCn1cc[nH+]c1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071747337 211054182 /nfs/dbraw/zinc/05/41/82/211054182.db2.gz DPCUMMLXARMNAN-NRFANRHFSA-N 3 2 395.551 2.376 50 0 GEAALP O=C(NCCn1ccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071747337 211054188 /nfs/dbraw/zinc/05/41/88/211054188.db2.gz DPCUMMLXARMNAN-NRFANRHFSA-N 2 2 395.551 2.376 50 0 GEAALP O=C(NCCn1ccnc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071747337 211054195 /nfs/dbraw/zinc/05/41/95/211054195.db2.gz DPCUMMLXARMNAN-NRFANRHFSA-N 2 2 395.551 2.376 50 0 GEAALP Cn1ncc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1C1CC1 ZINC000071738500 211052716 /nfs/dbraw/zinc/05/27/16/211052716.db2.gz QAWLPEWCCZDGAX-KRWDZBQOSA-N 2 2 385.556 2.253 50 0 GEAALP Cn1ncc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1C1CC1 ZINC000071738500 211052720 /nfs/dbraw/zinc/05/27/20/211052720.db2.gz QAWLPEWCCZDGAX-KRWDZBQOSA-N 2 2 385.556 2.253 50 0 GEAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCOCC1 ZINC000071755127 211057354 /nfs/dbraw/zinc/05/73/54/211057354.db2.gz NGCZYZHLGXUQMN-HXUWFJFHSA-N 2 2 386.540 2.007 50 0 GEAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCOCC1 ZINC000071755127 211057357 /nfs/dbraw/zinc/05/73/57/211057357.db2.gz NGCZYZHLGXUQMN-HXUWFJFHSA-N 2 2 386.540 2.007 50 0 GEAALP O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000071551938 211049360 /nfs/dbraw/zinc/04/93/60/211049360.db2.gz CATISDJGBYGMPL-NRFANRHFSA-N 2 2 386.540 2.053 50 0 GEAALP CC(C)OCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071416304 211048419 /nfs/dbraw/zinc/04/84/19/211048419.db2.gz QKZHUKCKMPDJJR-FQEVSTJZSA-N 2 2 388.556 2.299 50 0 GEAALP CC(C)OCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071416304 211048422 /nfs/dbraw/zinc/04/84/22/211048422.db2.gz QKZHUKCKMPDJJR-FQEVSTJZSA-N 2 2 388.556 2.299 50 0 GEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)on1 ZINC000071708071 211050858 /nfs/dbraw/zinc/05/08/58/211050858.db2.gz DKCIBQFMJIONPB-LJQANCHMSA-N 2 2 397.523 2.371 50 0 GEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)on1 ZINC000071708071 211050862 /nfs/dbraw/zinc/05/08/62/211050862.db2.gz DKCIBQFMJIONPB-LJQANCHMSA-N 2 2 397.523 2.371 50 0 GEAALP O=c1n(Cc2c[nH+]cn2C2CC2)nc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000067846958 211025766 /nfs/dbraw/zinc/02/57/66/211025766.db2.gz ZTUJRMLCJRYGJK-UHFFFAOYSA-N 2 2 378.480 2.140 50 0 GEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1cc(-n3cccc3)ccc1O)CCC[N@@H+]2C ZINC000067769642 211021698 /nfs/dbraw/zinc/02/16/98/211021698.db2.gz RGFWZHLBEXPEAL-UHFFFAOYSA-N 2 2 382.508 2.425 50 0 GEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1cc(-n3cccc3)ccc1O)CCC[N@H+]2C ZINC000067769642 211021701 /nfs/dbraw/zinc/02/17/01/211021701.db2.gz RGFWZHLBEXPEAL-UHFFFAOYSA-N 2 2 382.508 2.425 50 0 GEAALP CC(C)(C[NH2+]C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O)[NH+]1CCCC1 ZINC000067673939 211014873 /nfs/dbraw/zinc/01/48/73/211014873.db2.gz GRYNAEAHVBYNOE-OAQYLSRUSA-N 2 2 395.494 2.282 50 0 GEAALP O[C@H]1CN(c2cc[nH+]c3ccccc32)C[C@@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000072149619 136167013 /nfs/dbraw/zinc/16/70/13/136167013.db2.gz IIZBBKCVTRZWOQ-SFTDATJTSA-N 2 2 375.476 2.002 50 0 GEAALP COc1cccc(C[N@@H+]2CCC[C@@H](Nc3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000072478161 136171401 /nfs/dbraw/zinc/17/14/01/136171401.db2.gz JJOUACPKKXNFAE-GOSISDBHSA-N 2 2 383.496 2.398 50 0 GEAALP COc1cccc(C[N@H+]2CCC[C@@H](Nc3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000072478161 136171402 /nfs/dbraw/zinc/17/14/02/136171402.db2.gz JJOUACPKKXNFAE-GOSISDBHSA-N 2 2 383.496 2.398 50 0 GEAALP CC[NH+]1CCN(C(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)CC1 ZINC000065245271 535615062 /nfs/dbraw/zinc/61/50/62/535615062.db2.gz DMJBNLJPGWAXGC-QGZVFWFLSA-N 2 2 386.544 2.212 50 0 GEAALP CC[NH+]1CCN(C(=O)CC[C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)CC1 ZINC000065245271 535615067 /nfs/dbraw/zinc/61/50/67/535615067.db2.gz DMJBNLJPGWAXGC-QGZVFWFLSA-N 2 2 386.544 2.212 50 0 GEAALP CN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]C3(c4ccccc4)CC3)cc2)CC1 ZINC000023358873 570356462 /nfs/dbraw/zinc/35/64/62/570356462.db2.gz QMUOJEQPUAGWJY-QFIPXVFZSA-N 2 2 395.547 2.453 50 0 GEAALP COC[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000011668094 570579501 /nfs/dbraw/zinc/57/95/01/570579501.db2.gz KZPUOVFBEGBYQM-SFHVURJKSA-N 2 2 388.556 2.218 50 0 GEAALP Cc1cccc(-n2ccnc2CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](CCO)C2)c1 ZINC000039358351 570589597 /nfs/dbraw/zinc/58/95/97/570589597.db2.gz HVVIIFAXRPFWJN-JOCHJYFZSA-N 2 2 397.567 2.144 50 0 GEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)C3([NH+]4CCCC4)CCCCC3)C2)CC1 ZINC000012431332 570659656 /nfs/dbraw/zinc/65/96/56/570659656.db2.gz YCLUZZSJZPWLPI-IBGZPJMESA-N 3 2 376.589 2.460 50 0 GEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)C3([NH+]4CCCC4)CCCCC3)C2)CC1 ZINC000012431332 570659659 /nfs/dbraw/zinc/65/96/59/570659659.db2.gz YCLUZZSJZPWLPI-IBGZPJMESA-N 3 2 376.589 2.460 50 0 GEAALP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000241124164 570685927 /nfs/dbraw/zinc/68/59/27/570685927.db2.gz JGALRWMSKAQAMQ-WAOWUJCRSA-N 2 2 388.531 2.421 50 0 GEAALP C[NH+]1CCC([NH+]2CCN(C(=O)Cc3cccn3-c3ccc(F)cc3)CC2)CC1 ZINC000065170815 570719910 /nfs/dbraw/zinc/71/99/10/570719910.db2.gz GTEANIVTRPTPDX-UHFFFAOYSA-N 2 2 384.499 2.397 50 0 GEAALP CCn1c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH+](CC)CC3)C2)nc2ccccc21 ZINC000249695365 570722698 /nfs/dbraw/zinc/72/26/98/570722698.db2.gz QVZYHWBOARCSJE-SFHVURJKSA-N 2 2 383.540 2.432 50 0 GEAALP CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH+](CC)CC3)C2)nc2ccccc21 ZINC000249695365 570722701 /nfs/dbraw/zinc/72/27/01/570722701.db2.gz QVZYHWBOARCSJE-SFHVURJKSA-N 2 2 383.540 2.432 50 0 GEAALP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)N[C@@]2(C[NH+]3CCC2CC3)C1=O ZINC000032916196 570927344 /nfs/dbraw/zinc/92/73/44/570927344.db2.gz YRQJWXWLIPAQKG-GOSISDBHSA-N 2 2 396.413 2.111 50 0 GEAALP C[N@H+](Cc1ccc(C(F)(F)F)cc1)CN1C(=O)N[C@@]2(C[NH+]3CCC2CC3)C1=O ZINC000032916196 570927349 /nfs/dbraw/zinc/92/73/49/570927349.db2.gz YRQJWXWLIPAQKG-GOSISDBHSA-N 2 2 396.413 2.111 50 0 GEAALP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)nc1 ZINC000019370673 210245482 /nfs/dbraw/zinc/24/54/82/210245482.db2.gz CNRPQODIMQQMKN-CQSZACIVSA-N 2 2 379.888 2.383 50 0 GEAALP C[NH+](C)[C@H](C(=O)N1CC[NH+](C2CCSCC2)CC1)c1ccc2c(c1)OCO2 ZINC000426544972 231238796 /nfs/dbraw/zinc/23/87/96/231238796.db2.gz HGVJVFBTYNXCLR-IBGZPJMESA-N 2 2 391.537 2.058 50 0 GEAALP CC[NH+](CC)CC[NH2+][C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000019300711 210240435 /nfs/dbraw/zinc/24/04/35/210240435.db2.gz FSPOJXYKAYRODZ-OAHLLOKOSA-N 2 2 389.569 2.200 50 0 GEAALP CCOC(=O)c1nn(CC[NH+](C)C)c2c1C[N@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000019217920 210232028 /nfs/dbraw/zinc/23/20/28/210232028.db2.gz INDAGBAOSBLNOK-UHFFFAOYSA-N 2 2 398.507 2.115 50 0 GEAALP CCOC(=O)c1nn(CC[NH+](C)C)c2c1C[N@@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000019217920 210232033 /nfs/dbraw/zinc/23/20/33/210232033.db2.gz INDAGBAOSBLNOK-UHFFFAOYSA-N 2 2 398.507 2.115 50 0 GEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2cccc(OC)c2OC)C3)CC1 ZINC000015779407 210169196 /nfs/dbraw/zinc/16/91/96/210169196.db2.gz CIENTLIKJFRXOB-UHFFFAOYSA-N 2 2 397.523 2.194 50 0 GEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2cccc(OC)c2OC)C3)CC1 ZINC000015779407 210169199 /nfs/dbraw/zinc/16/91/99/210169199.db2.gz CIENTLIKJFRXOB-UHFFFAOYSA-N 2 2 397.523 2.194 50 0 GEAALP OCC[NH2+]CCC[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000261491979 212029722 /nfs/dbraw/zinc/02/97/22/212029722.db2.gz NZKCVIKKLYWLLB-UHFFFAOYSA-N 2 2 383.471 2.194 50 0 GEAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cnc(SC)nc2)CC1 ZINC000096164622 211316931 /nfs/dbraw/zinc/31/69/31/211316931.db2.gz AVKGOKDQBLNSNR-UHFFFAOYSA-N 2 2 375.546 2.251 50 0 GEAALP Cc1[nH+]ccn1CCC[NH+]1CCC(c2nnc(Cn3cc[nH+]c3C)n2C)CC1 ZINC000096163709 211313158 /nfs/dbraw/zinc/31/31/58/211313158.db2.gz AWDANACQHJBEDG-UHFFFAOYSA-N 3 2 382.516 2.143 50 0 GEAALP Cn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccc(CC[NH3+])cc2)CC1 ZINC000096148839 211309223 /nfs/dbraw/zinc/30/92/23/211309223.db2.gz MWGTUVXXHBVDQW-UHFFFAOYSA-N 3 2 382.556 2.292 50 0 GEAALP COc1ccc(CN(C)Cc2[nH]cc[nH+]2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095531027 211275703 /nfs/dbraw/zinc/27/57/03/211275703.db2.gz VCGGNCLUSFFESJ-SFHVURJKSA-N 2 2 388.512 2.276 50 0 GEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000095509124 211260812 /nfs/dbraw/zinc/26/08/12/211260812.db2.gz CUYQBUFTCAIHBP-UHFFFAOYSA-N 2 2 384.528 2.457 50 0 GEAALP Cc1nn(C)cc1C[NH+]1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000091650094 211200865 /nfs/dbraw/zinc/20/08/65/211200865.db2.gz WGMTZXUKIBBFHA-UHFFFAOYSA-N 2 2 384.528 2.220 50 0 GEAALP CCc1ncc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000091526742 211193837 /nfs/dbraw/zinc/19/38/37/211193837.db2.gz SJSYWKRDTMRAIQ-NRFANRHFSA-N 2 2 382.512 2.209 50 0 GEAALP CCc1ncc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000091526742 211193840 /nfs/dbraw/zinc/19/38/40/211193840.db2.gz SJSYWKRDTMRAIQ-NRFANRHFSA-N 2 2 382.512 2.209 50 0 GEAALP CCc1ncc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000091526742 211193842 /nfs/dbraw/zinc/19/38/42/211193842.db2.gz SJSYWKRDTMRAIQ-NRFANRHFSA-N 2 2 382.512 2.209 50 0 GEAALP CCc1ncc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000091526742 211193844 /nfs/dbraw/zinc/19/38/44/211193844.db2.gz SJSYWKRDTMRAIQ-NRFANRHFSA-N 2 2 382.512 2.209 50 0 GEAALP Cn1cc[nH+]c1CC[NH+]1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000091526145 211193723 /nfs/dbraw/zinc/19/37/23/211193723.db2.gz VVLWNKCGVVREFX-UHFFFAOYSA-N 2 2 381.524 2.305 50 0 GEAALP COC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071774996 211062874 /nfs/dbraw/zinc/06/28/74/211062874.db2.gz HYYWVQTYYBKPLM-LJQANCHMSA-N 2 2 388.556 2.299 50 0 GEAALP COC(C)(C)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071774996 211062878 /nfs/dbraw/zinc/06/28/78/211062878.db2.gz HYYWVQTYYBKPLM-LJQANCHMSA-N 2 2 388.556 2.299 50 0 GEAALP O=C(NC1CCOCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071756875 211057551 /nfs/dbraw/zinc/05/75/51/211057551.db2.gz AVUYPBCIJPHTCB-LJQANCHMSA-N 2 2 386.540 2.053 50 0 GEAALP O=C(NC1CCOCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071756875 211057554 /nfs/dbraw/zinc/05/75/54/211057554.db2.gz AVUYPBCIJPHTCB-LJQANCHMSA-N 2 2 386.540 2.053 50 0 GEAALP CC(C)OCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071416303 211048551 /nfs/dbraw/zinc/04/85/51/211048551.db2.gz QKZHUKCKMPDJJR-HXUWFJFHSA-N 2 2 388.556 2.299 50 0 GEAALP CC(C)OCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071416303 211048557 /nfs/dbraw/zinc/04/85/57/211048557.db2.gz QKZHUKCKMPDJJR-HXUWFJFHSA-N 2 2 388.556 2.299 50 0 GEAALP C[NH2+]C(C)(C)C(=O)NCc1ccc[nH+]c1N1CCN(c2ccccc2C)CC1 ZINC000067803517 211022667 /nfs/dbraw/zinc/02/26/67/211022667.db2.gz CJYSLKINNAGRED-UHFFFAOYSA-N 2 2 381.524 2.331 50 0 GEAALP CCCC[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CC)CC2)c(OC)c1 ZINC000020996393 210373261 /nfs/dbraw/zinc/37/32/61/210373261.db2.gz QHATXYQHAGMWQY-FQEVSTJZSA-N 2 2 393.572 2.304 50 0 GEAALP CCCC[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CC)CC2)c(OC)c1 ZINC000020996393 210373264 /nfs/dbraw/zinc/37/32/64/210373264.db2.gz QHATXYQHAGMWQY-FQEVSTJZSA-N 2 2 393.572 2.304 50 0 GEAALP COc1ccc(C[NH+]2CCCCCC2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000020542754 210346150 /nfs/dbraw/zinc/34/61/50/210346150.db2.gz JUZVEWPISPHYDA-HXUWFJFHSA-N 2 2 391.556 2.058 50 0 GEAALP CC(C)Nc1cc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc(N)[nH+]1 ZINC000095507856 136180601 /nfs/dbraw/zinc/18/06/01/136180601.db2.gz PWXIBBXGKKWNEM-MRXNPFEDSA-N 3 2 386.548 2.411 50 0 GEAALP CCc1cc(N2CCC(c3nnc(Cn4cc[nH+]c4C)n3C)CC2)nc(C)[nH+]1 ZINC000096179697 136185027 /nfs/dbraw/zinc/18/50/27/136185027.db2.gz LCEPTXNDQFPQCS-UHFFFAOYSA-N 2 2 380.500 2.413 50 0 GEAALP CCOc1ccc(C[N@@H+]2CCN(c3nc(NC)cc(C)[nH+]3)C[C@H]2CCO)cc1 ZINC000107002221 136201720 /nfs/dbraw/zinc/20/17/20/136201720.db2.gz YYPOQUSGQINWJX-GOSISDBHSA-N 2 2 385.512 2.299 50 0 GEAALP CCOc1ccc(C[N@H+]2CCN(c3nc(NC)cc(C)[nH+]3)C[C@H]2CCO)cc1 ZINC000107002221 136201721 /nfs/dbraw/zinc/20/17/21/136201721.db2.gz YYPOQUSGQINWJX-GOSISDBHSA-N 2 2 385.512 2.299 50 0 GEAALP Cc1nc(N2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)c2c([nH+]1)CCC2 ZINC000426707408 534620938 /nfs/dbraw/zinc/62/09/38/534620938.db2.gz KOQCVYCMYPAWLE-MRXNPFEDSA-N 2 2 381.528 2.382 50 0 GEAALP Cc1cc(N2CCC(c3nnc(C[NH+]4CCCC4)n3C3CC3)CC2)nc(N)[nH+]1 ZINC000096149287 570214842 /nfs/dbraw/zinc/21/48/42/570214842.db2.gz DKBCHQWJZVYJTE-UHFFFAOYSA-N 2 2 382.516 2.273 50 0 GEAALP COc1cc(C[N@H+](C)Cc2cc[nH]n2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000011662748 570264972 /nfs/dbraw/zinc/26/49/72/570264972.db2.gz LIZLCRBPSHBOEU-SFHVURJKSA-N 2 2 376.501 2.130 50 0 GEAALP COc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000011662748 570264975 /nfs/dbraw/zinc/26/49/75/570264975.db2.gz LIZLCRBPSHBOEU-SFHVURJKSA-N 2 2 376.501 2.130 50 0 GEAALP COc1cc(C[NH+](C)Cc2cc[nH]n2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011662748 570264978 /nfs/dbraw/zinc/26/49/78/570264978.db2.gz LIZLCRBPSHBOEU-SFHVURJKSA-N 2 2 376.501 2.130 50 0 GEAALP COc1cc(C[NH+](C)Cc2cc[nH]n2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011662748 570264981 /nfs/dbraw/zinc/26/49/81/570264981.db2.gz LIZLCRBPSHBOEU-SFHVURJKSA-N 2 2 376.501 2.130 50 0 GEAALP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000218974059 570344641 /nfs/dbraw/zinc/34/46/41/570344641.db2.gz JCGAFRLQTXGZBI-FQEVSTJZSA-N 2 2 380.496 2.274 50 0 GEAALP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000218974059 570344645 /nfs/dbraw/zinc/34/46/45/570344645.db2.gz JCGAFRLQTXGZBI-FQEVSTJZSA-N 2 2 380.496 2.274 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@H+](C)Cc2cc(C)n[nH]2)cc1OC ZINC000012433614 570661297 /nfs/dbraw/zinc/66/12/97/570661297.db2.gz STXGXRMDDJZQIU-IBGZPJMESA-N 2 2 390.528 2.440 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@@H+](C)Cc2cc(C)n[nH]2)cc1OC ZINC000012433614 570661298 /nfs/dbraw/zinc/66/12/98/570661298.db2.gz STXGXRMDDJZQIU-IBGZPJMESA-N 2 2 390.528 2.440 50 0 GEAALP COc1cc(C[NH2+]Cc2ccsc2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000012587142 570685433 /nfs/dbraw/zinc/68/54/33/570685433.db2.gz ZCBODNKRSUVDJN-SFHVURJKSA-N 2 2 392.521 2.118 50 0 GEAALP CCn1c(C[NH+]2CCC(C(=O)N3CC[NH+](CC)CC3)CC2)nc2ccccc21 ZINC000249680076 570722634 /nfs/dbraw/zinc/72/26/34/570722634.db2.gz AENHBGNVXWPSID-UHFFFAOYSA-N 2 2 383.540 2.432 50 0 GEAALP CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000058441180 570734164 /nfs/dbraw/zinc/73/41/64/570734164.db2.gz WBTFWQUUBCFYDB-FXAWDEMLSA-N 2 2 387.524 2.041 50 0 GEAALP CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000058441180 570734165 /nfs/dbraw/zinc/73/41/65/570734165.db2.gz WBTFWQUUBCFYDB-FXAWDEMLSA-N 2 2 387.524 2.041 50 0 GEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Cc2noc3ccccc23)[nH+]c(C)n1 ZINC000096544712 570756989 /nfs/dbraw/zinc/75/69/89/570756989.db2.gz HNCZKCHSNMZIGC-UHFFFAOYSA-N 2 2 391.435 2.191 50 0 GEAALP O=C(C[N@@H+]1CCc2ccccc2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000007335408 570830446 /nfs/dbraw/zinc/83/04/46/570830446.db2.gz VYXKMFXFPXEEIN-UHFFFAOYSA-N 2 2 379.504 2.193 50 0 GEAALP O=C(C[N@H+]1CCc2ccccc2C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000007335408 570830447 /nfs/dbraw/zinc/83/04/47/570830447.db2.gz VYXKMFXFPXEEIN-UHFFFAOYSA-N 2 2 379.504 2.193 50 0 GEAALP C[NH+](C)Cc1csc(C[N@@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1 ZINC000091350750 571004173 /nfs/dbraw/zinc/00/41/73/571004173.db2.gz WIRTVWXRFNVZLT-FQEVSTJZSA-N 3 2 381.586 2.105 50 0 GEAALP C[NH+](C)Cc1csc(C[N@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1 ZINC000091350750 571004174 /nfs/dbraw/zinc/00/41/74/571004174.db2.gz WIRTVWXRFNVZLT-FQEVSTJZSA-N 3 2 381.586 2.105 50 0 GEAALP C[NH+](C)[C@@H](C(=O)N1CC[NH+](C2CCSCC2)CC1)c1ccc2c(c1)OCO2 ZINC000426544973 231238183 /nfs/dbraw/zinc/23/81/83/231238183.db2.gz HGVJVFBTYNXCLR-LJQANCHMSA-N 2 2 391.537 2.058 50 0 GEAALP CCn1cc[nH+]c1CN(C)C(=O)NCC1([NH+]2CCOCC2)CCCCCC1 ZINC000426578530 529567446 /nfs/dbraw/zinc/56/74/46/529567446.db2.gz DHGIXVTXYGVQIQ-UHFFFAOYSA-N 2 2 377.533 2.470 50 0 GEAALP Cc1cnccc1C[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C)CC2)cc1 ZINC000095520436 211268075 /nfs/dbraw/zinc/26/80/75/211268075.db2.gz CWSRHUXPPPOHSZ-QFIPXVFZSA-N 2 2 398.551 2.009 50 0 GEAALP Cc1cnccc1C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C)CC2)cc1 ZINC000095520436 211268079 /nfs/dbraw/zinc/26/80/79/211268079.db2.gz CWSRHUXPPPOHSZ-QFIPXVFZSA-N 2 2 398.551 2.009 50 0 GEAALP Cc1cnccc1C[N@H+](C)Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000095520436 211268067 /nfs/dbraw/zinc/26/80/67/211268067.db2.gz CWSRHUXPPPOHSZ-QFIPXVFZSA-N 2 2 398.551 2.009 50 0 GEAALP Cc1cnccc1C[N@@H+](C)Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000095520436 211268070 /nfs/dbraw/zinc/26/80/70/211268070.db2.gz CWSRHUXPPPOHSZ-QFIPXVFZSA-N 2 2 398.551 2.009 50 0 GEAALP COc1cccc(C[N@H+](C)CC2CCCC2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095506721 211257662 /nfs/dbraw/zinc/25/76/62/211257662.db2.gz MJLCPQPKIBVIKY-HXUWFJFHSA-N 2 2 392.540 2.389 50 0 GEAALP COc1cccc(C[N@@H+](C)CC2CCCC2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095506721 211257666 /nfs/dbraw/zinc/25/76/66/211257666.db2.gz MJLCPQPKIBVIKY-HXUWFJFHSA-N 2 2 392.540 2.389 50 0 GEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccn(C(F)F)n2)C1 ZINC000095507793 211257523 /nfs/dbraw/zinc/25/75/23/211257523.db2.gz SGILIHDYDMNZTC-CQSZACIVSA-N 2 2 380.443 2.446 50 0 GEAALP COc1ccc(F)c(F)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 ZINC000095375389 211230102 /nfs/dbraw/zinc/23/01/02/211230102.db2.gz SPUQIBDIPFCJCC-APWZRJJASA-N 2 2 397.510 2.184 50 0 GEAALP COc1ccc(F)c(F)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 ZINC000095375389 211230105 /nfs/dbraw/zinc/23/01/05/211230105.db2.gz SPUQIBDIPFCJCC-APWZRJJASA-N 2 2 397.510 2.184 50 0 GEAALP CCN1CC[NH+](C2CCN(C(=O)[C@H](c3ccccc3F)[NH+](C)C)CC2)CC1 ZINC000095362703 211226143 /nfs/dbraw/zinc/22/61/43/211226143.db2.gz VSSJAWIUQHNFQY-FQEVSTJZSA-N 2 2 376.520 2.057 50 0 GEAALP Cc1ccccc1-c1ncc(C[NH+]2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)s1 ZINC000091943040 211210739 /nfs/dbraw/zinc/21/07/39/211210739.db2.gz KWBUKUWRXGJSAH-IAGOWNOFSA-N 2 2 375.538 2.083 50 0 GEAALP Cc1ccccc1-c1ncc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)s1 ZINC000091943040 211210741 /nfs/dbraw/zinc/21/07/41/211210741.db2.gz KWBUKUWRXGJSAH-IAGOWNOFSA-N 2 2 375.538 2.083 50 0 GEAALP Cc1ccccc1-c1ncc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)CCO)C2)s1 ZINC000091943040 211210744 /nfs/dbraw/zinc/21/07/44/211210744.db2.gz KWBUKUWRXGJSAH-IAGOWNOFSA-N 2 2 375.538 2.083 50 0 GEAALP Cc1ccccc1-c1ncc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)CCO)C2)s1 ZINC000091943040 211210745 /nfs/dbraw/zinc/21/07/45/211210745.db2.gz KWBUKUWRXGJSAH-IAGOWNOFSA-N 2 2 375.538 2.083 50 0 GEAALP O=C(Cc1c[nH+]c2ccccn12)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccn2)C1 ZINC000091550451 211197236 /nfs/dbraw/zinc/19/72/36/211197236.db2.gz UDXGVOFCMFIGEF-IEBWSBKVSA-N 2 2 375.476 2.395 50 0 GEAALP O=C(Cc1c[nH+]c2ccccn12)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccn2)C1 ZINC000091550451 211197239 /nfs/dbraw/zinc/19/72/39/211197239.db2.gz UDXGVOFCMFIGEF-IEBWSBKVSA-N 2 2 375.476 2.395 50 0 GEAALP O=C1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)CC[C@H]2N1CCc1c[nH+]c[nH]1 ZINC000072469666 211122589 /nfs/dbraw/zinc/12/25/89/211122589.db2.gz HAFMNLBXKOUNSX-HNAYVOBHSA-N 2 2 378.480 2.342 50 0 GEAALP O=C1CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)CC[C@H]2N1CCc1c[nH+]c[nH]1 ZINC000072469666 211122592 /nfs/dbraw/zinc/12/25/92/211122592.db2.gz HAFMNLBXKOUNSX-HNAYVOBHSA-N 2 2 378.480 2.342 50 0 GEAALP O=C1CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)CC[C@H]2N1CCc1c[nH]c[nH+]1 ZINC000072469666 211122596 /nfs/dbraw/zinc/12/25/96/211122596.db2.gz HAFMNLBXKOUNSX-HNAYVOBHSA-N 2 2 378.480 2.342 50 0 GEAALP O=C1CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)CC[C@H]2N1CCc1c[nH]c[nH+]1 ZINC000072469666 211122600 /nfs/dbraw/zinc/12/26/00/211122600.db2.gz HAFMNLBXKOUNSX-HNAYVOBHSA-N 2 2 378.480 2.342 50 0 GEAALP COc1cc[nH+]c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071419559 211049464 /nfs/dbraw/zinc/04/94/64/211049464.db2.gz OAZCBPFCWDWKOH-GOSISDBHSA-N 2 2 386.540 2.389 50 0 GEAALP COc1cc[nH+]c(CN2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071419559 211049469 /nfs/dbraw/zinc/04/94/69/211049469.db2.gz OAZCBPFCWDWKOH-GOSISDBHSA-N 2 2 386.540 2.389 50 0 GEAALP O=C(NCc1ccncc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071575694 211048811 /nfs/dbraw/zinc/04/88/11/211048811.db2.gz QTCRCQASGUWSJW-OAQYLSRUSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1ccncc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071575694 211048816 /nfs/dbraw/zinc/04/88/16/211048816.db2.gz QTCRCQASGUWSJW-OAQYLSRUSA-N 2 2 393.535 2.469 50 0 GEAALP CC[NH+](CC)Cc1cnc2c(C(=O)NCc3c[nH+]c4ccccn34)cnn2c1 ZINC000067964985 211030891 /nfs/dbraw/zinc/03/08/91/211030891.db2.gz WJLPJARLGRIRMS-UHFFFAOYSA-N 2 2 377.452 2.149 50 0 GEAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3F)CC2)C1)N1CCOCC1 ZINC000067654878 211014941 /nfs/dbraw/zinc/01/49/41/211014941.db2.gz OWCPJVOEFRJWMF-IBGZPJMESA-N 2 2 389.515 2.361 50 0 GEAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3F)CC2)C1)N1CCOCC1 ZINC000067654878 211014938 /nfs/dbraw/zinc/01/49/38/211014938.db2.gz OWCPJVOEFRJWMF-IBGZPJMESA-N 2 2 389.515 2.361 50 0 GEAALP C[C@@H](Nc1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1)c1ccccc1-n1cccn1 ZINC000065410143 136163898 /nfs/dbraw/zinc/16/38/98/136163898.db2.gz BJDANMJZBYFRNU-OAHLLOKOSA-N 2 2 378.484 2.169 50 0 GEAALP Nc1cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)[nH+]c(N2CCOCC2)n1 ZINC000071760970 136166166 /nfs/dbraw/zinc/16/61/66/136166166.db2.gz IVHUPNWGUZYQLU-KRWDZBQOSA-N 2 2 383.496 2.343 50 0 GEAALP CC[C@@]1(O)CC[N@H+](CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C[C@H]1O ZINC000072423214 136169865 /nfs/dbraw/zinc/16/98/65/136169865.db2.gz DBUVXBHKRFRSOI-WOJBJXKFSA-N 2 2 381.948 2.060 50 0 GEAALP CC[C@@]1(O)CC[N@@H+](CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C[C@H]1O ZINC000072423214 136169866 /nfs/dbraw/zinc/16/98/66/136169866.db2.gz DBUVXBHKRFRSOI-WOJBJXKFSA-N 2 2 381.948 2.060 50 0 GEAALP CC(C)[NH+]1CCC([N@@H+]2CCN(c3ncnc4sccc43)C[C@@H]2CCO)CC1 ZINC000072469895 136171059 /nfs/dbraw/zinc/17/10/59/136171059.db2.gz MCYCYAGSSFBAFN-KRWDZBQOSA-N 2 2 389.569 2.437 50 0 GEAALP CC(C)[NH+]1CCC([N@H+]2CCN(c3ncnc4sccc43)C[C@@H]2CCO)CC1 ZINC000072469895 136171060 /nfs/dbraw/zinc/17/10/60/136171060.db2.gz MCYCYAGSSFBAFN-KRWDZBQOSA-N 2 2 389.569 2.437 50 0 GEAALP Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000095480958 136179484 /nfs/dbraw/zinc/17/94/84/136179484.db2.gz CWOUPBKLIXLUEJ-UHFFFAOYSA-N 2 2 396.535 2.399 50 0 GEAALP CCc1cc(N2CCC([NH2+]CCCn3cc[nH+]c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095510978 136180785 /nfs/dbraw/zinc/18/07/85/136180785.db2.gz UAOFTBWEJFOEHM-UHFFFAOYSA-N 3 2 383.544 2.484 50 0 GEAALP CCCc1cc(N2CCC([NH2+]CCN3CCC[C@H](CO)C3)CC2)nc(C)[nH+]1 ZINC000095528528 136181571 /nfs/dbraw/zinc/18/15/71/136181571.db2.gz YIXBANLNNXAHFX-SFHVURJKSA-N 2 2 375.561 2.000 50 0 GEAALP CCCc1cc(N2CCC([NH2+]CC[N@@H+]3CCC[C@H](CO)C3)CC2)nc(C)[nH+]1 ZINC000095528528 136181572 /nfs/dbraw/zinc/18/15/72/136181572.db2.gz YIXBANLNNXAHFX-SFHVURJKSA-N 3 2 375.561 2.000 50 0 GEAALP CCCc1cc(N2CCC([NH2+]CC[N@H+]3CCC[C@H](CO)C3)CC2)nc(C)[nH+]1 ZINC000095528528 136181573 /nfs/dbraw/zinc/18/15/73/136181573.db2.gz YIXBANLNNXAHFX-SFHVURJKSA-N 3 2 375.561 2.000 50 0 GEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)[nH+]cn1 ZINC000096544714 136187344 /nfs/dbraw/zinc/18/73/44/136187344.db2.gz NAMMLGZEQRRPKQ-INIZCTEOSA-N 2 2 392.463 2.087 50 0 GEAALP COc1ccc2c(cc(C(=O)N[C@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)n2C)c1 ZINC000011665055 570578845 /nfs/dbraw/zinc/57/88/45/570578845.db2.gz JMVVAMBFEUEOIK-KRWDZBQOSA-N 2 2 384.524 2.475 50 0 GEAALP COc1ccc2c(cc(C(=O)N[C@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)n2C)c1 ZINC000011665055 570578847 /nfs/dbraw/zinc/57/88/47/570578847.db2.gz JMVVAMBFEUEOIK-KRWDZBQOSA-N 2 2 384.524 2.475 50 0 GEAALP Cc1ccc2occ(C[N@@H+]3CCN(C4CC[NH+](C)CC4)[C@H](CCO)C3)c(=O)c2c1 ZINC000039357916 570589412 /nfs/dbraw/zinc/58/94/12/570589412.db2.gz HTUFORPEQYNONT-HXUWFJFHSA-N 2 2 399.535 2.064 50 0 GEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)CCC(=O)c3ccc(F)cc3)C2)CC1 ZINC000012208095 570626675 /nfs/dbraw/zinc/62/66/75/570626675.db2.gz ONRUQDWDCVZYQL-SFHVURJKSA-N 2 2 375.488 2.463 50 0 GEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)CCC(=O)c3ccc(F)cc3)C2)CC1 ZINC000012208095 570626677 /nfs/dbraw/zinc/62/66/77/570626677.db2.gz ONRUQDWDCVZYQL-SFHVURJKSA-N 2 2 375.488 2.463 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](C)Cc2nnc(C)o2)ccc1OC ZINC000012593501 570688027 /nfs/dbraw/zinc/68/80/27/570688027.db2.gz AJIXIAZGMYSSBX-KRWDZBQOSA-N 2 2 392.500 2.100 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+](C)Cc2nnc(C)o2)ccc1OC ZINC000012593501 570688032 /nfs/dbraw/zinc/68/80/32/570688032.db2.gz AJIXIAZGMYSSBX-KRWDZBQOSA-N 2 2 392.500 2.100 50 0 GEAALP CC(=O)CC(C)(C)NC(=O)CC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000032797357 570819555 /nfs/dbraw/zinc/81/95/55/570819555.db2.gz YMDRBSAFBVYASZ-UHFFFAOYSA-N 2 2 389.544 2.294 50 0 GEAALP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000014239963 570835726 /nfs/dbraw/zinc/83/57/26/570835726.db2.gz JEZQZLQKPBTZNU-MRXNPFEDSA-N 2 2 397.475 2.364 50 0 GEAALP CC[NH+]1CCC(CNC(=O)N2CCC(c3ccnc(C)n3)CC2)([NH+](C)C)CC1 ZINC000534675245 570920917 /nfs/dbraw/zinc/92/09/17/570920917.db2.gz ZMAINLDTXKTUMP-UHFFFAOYSA-N 2 2 388.560 2.090 50 0 GEAALP [NH3+]Cc1nnc(SCC[NH+]2CCOCC2)n1-c1cccc(C(F)(F)F)c1 ZINC000426387750 231212630 /nfs/dbraw/zinc/21/26/30/231212630.db2.gz RATHKPHGKFYFNF-UHFFFAOYSA-N 2 2 387.431 2.169 50 0 GEAALP OC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000656260060 532611398 /nfs/dbraw/zinc/61/13/98/532611398.db2.gz IJCOJZDBFCVREH-WMLDXEAASA-N 2 2 387.293 2.465 50 0 GEAALP O[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CC[C@H]1[NH+]1CCOCC1 ZINC000012744926 221223499 /nfs/dbraw/zinc/22/34/99/221223499.db2.gz DKLZRGVCKFWQCA-WOJBJXKFSA-N 2 2 379.570 2.001 50 0 GEAALP COc1cc(C[NH2+]Cc2ccsc2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000012587151 221211650 /nfs/dbraw/zinc/21/16/50/221211650.db2.gz ZCBODNKRSUVDJN-GOSISDBHSA-N 2 2 392.521 2.118 50 0 GEAALP COCCN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000055244839 222018530 /nfs/dbraw/zinc/01/85/30/222018530.db2.gz SVIWUZXSCBBKHN-UHFFFAOYSA-N 2 2 388.556 2.171 50 0 GEAALP COCCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071747991 222189342 /nfs/dbraw/zinc/18/93/42/222189342.db2.gz PPTGXYIHVSBAIB-FQEVSTJZSA-N 2 2 388.556 2.253 50 0 GEAALP COCCCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071747991 222189344 /nfs/dbraw/zinc/18/93/44/222189344.db2.gz PPTGXYIHVSBAIB-FQEVSTJZSA-N 2 2 388.556 2.253 50 0 GEAALP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000067834013 222162273 /nfs/dbraw/zinc/16/22/73/222162273.db2.gz YRZBFBPVYDPXTI-KNQAVFIVSA-N 2 2 384.568 2.414 50 0 GEAALP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])C[N@H+]1C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000067834013 222162275 /nfs/dbraw/zinc/16/22/75/222162275.db2.gz YRZBFBPVYDPXTI-KNQAVFIVSA-N 2 2 384.568 2.414 50 0 GEAALP O=C(NCc1ccon1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071745602 222188333 /nfs/dbraw/zinc/18/83/33/222188333.db2.gz HSAAQCNYOSBWCV-SFHVURJKSA-N 2 2 383.496 2.062 50 0 GEAALP O=C(NCc1ccon1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071745602 222188336 /nfs/dbraw/zinc/18/83/36/222188336.db2.gz HSAAQCNYOSBWCV-SFHVURJKSA-N 2 2 383.496 2.062 50 0 GEAALP CN(Cc1ccon1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071759855 222194332 /nfs/dbraw/zinc/19/43/32/222194332.db2.gz IKKSOSVSTSVMBB-IBGZPJMESA-N 2 2 397.523 2.405 50 0 GEAALP CN(Cc1ccon1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071759855 222194336 /nfs/dbraw/zinc/19/43/36/222194336.db2.gz IKKSOSVSTSVMBB-IBGZPJMESA-N 2 2 397.523 2.405 50 0 GEAALP CNc1nc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)cs1 ZINC000095500455 222333968 /nfs/dbraw/zinc/33/39/68/222333968.db2.gz RUBLFYJMDCSERP-UHFFFAOYSA-N 2 2 376.530 2.353 50 0 GEAALP COc1ccc(C[N@H+](C)CC(C)(C)C)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095499475 222334835 /nfs/dbraw/zinc/33/48/35/222334835.db2.gz JVOIGOKLEWRWBA-LJQANCHMSA-N 2 2 393.572 2.160 50 0 GEAALP COc1ccc(C[N@@H+](C)CC(C)(C)C)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095499475 222334837 /nfs/dbraw/zinc/33/48/37/222334837.db2.gz JVOIGOKLEWRWBA-LJQANCHMSA-N 2 2 393.572 2.160 50 0 GEAALP COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095505403 222338518 /nfs/dbraw/zinc/33/85/18/222338518.db2.gz KHJCGRNWERDOFC-FQEVSTJZSA-N 3 2 393.572 2.301 50 0 GEAALP COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095505403 222338521 /nfs/dbraw/zinc/33/85/21/222338521.db2.gz KHJCGRNWERDOFC-FQEVSTJZSA-N 3 2 393.572 2.301 50 0 GEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](Cc2ccsc2)CC1 ZINC000077437531 222280982 /nfs/dbraw/zinc/28/09/82/222280982.db2.gz UAFFLRKCPCDFJB-UHFFFAOYSA-N 2 2 375.542 2.213 50 0 GEAALP CCCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([N@H+](C)Cc1ccco1)C2 ZINC000019799217 570220329 /nfs/dbraw/zinc/22/03/29/570220329.db2.gz YMOSIQVSGHIDAB-KRWDZBQOSA-N 2 2 399.539 2.263 50 0 GEAALP CCCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([N@@H+](C)Cc1ccco1)C2 ZINC000019799217 570220330 /nfs/dbraw/zinc/22/03/30/570220330.db2.gz YMOSIQVSGHIDAB-KRWDZBQOSA-N 2 2 399.539 2.263 50 0 GEAALP C[NH+]1CCC(N2CC[N@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]2CCO)CC1 ZINC000020534301 570265791 /nfs/dbraw/zinc/26/57/91/570265791.db2.gz LDOSKCAAKASYPQ-SFHVURJKSA-N 2 2 383.483 2.251 50 0 GEAALP C[NH+]1CCC(N2CC[N@@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]2CCO)CC1 ZINC000020534301 570265794 /nfs/dbraw/zinc/26/57/94/570265794.db2.gz LDOSKCAAKASYPQ-SFHVURJKSA-N 2 2 383.483 2.251 50 0 GEAALP CC[NH+](CC)CC[NH2+][C@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 ZINC000023354232 570356358 /nfs/dbraw/zinc/35/63/58/570356358.db2.gz ROHGXVLOJLOXAQ-IBGZPJMESA-N 2 2 397.567 2.481 50 0 GEAALP Cc1cccc(N2CC[NH+](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000024259871 570381610 /nfs/dbraw/zinc/38/16/10/570381610.db2.gz ZGAYRYZANKPNNL-UHFFFAOYSA-N 2 2 392.547 2.461 50 0 GEAALP COc1ccc(NC(=O)NCCNc2cc(-n3cc[nH+]c3C)nc[nH+]2)c(OC)c1 ZINC000035598192 570401097 /nfs/dbraw/zinc/40/10/97/570401097.db2.gz ILHJLTMIGONRDG-UHFFFAOYSA-N 2 2 397.439 2.222 50 0 GEAALP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000248027487 570719938 /nfs/dbraw/zinc/71/99/38/570719938.db2.gz MPGQLSBYNACEIY-SFHVURJKSA-N 2 2 383.540 2.338 50 0 GEAALP CC(C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000248027487 570719944 /nfs/dbraw/zinc/71/99/44/570719944.db2.gz MPGQLSBYNACEIY-SFHVURJKSA-N 2 2 383.540 2.338 50 0 GEAALP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@](O)(C[NH+]4CCOCC4)C(C)(C)C3)nc2c1C ZINC000091548156 571013832 /nfs/dbraw/zinc/01/38/32/571013832.db2.gz HGYIHMSXQXAMPZ-JOCHJYFZSA-N 2 2 386.540 2.475 50 0 GEAALP Cc1ccc2[nH]c(C[N@H+]3CC[C@@](O)(C[NH+]4CCOCC4)C(C)(C)C3)nc2c1C ZINC000091548156 571013833 /nfs/dbraw/zinc/01/38/33/571013833.db2.gz HGYIHMSXQXAMPZ-JOCHJYFZSA-N 2 2 386.540 2.475 50 0 GEAALP Cc1ccc2nc(C[N@@H+]3CC[C@@](O)(C[NH+]4CCOCC4)C(C)(C)C3)[nH]c2c1C ZINC000091548156 571013834 /nfs/dbraw/zinc/01/38/34/571013834.db2.gz HGYIHMSXQXAMPZ-JOCHJYFZSA-N 2 2 386.540 2.475 50 0 GEAALP Cc1ccc2nc(C[N@H+]3CC[C@@](O)(C[NH+]4CCOCC4)C(C)(C)C3)[nH]c2c1C ZINC000091548156 571013835 /nfs/dbraw/zinc/01/38/35/571013835.db2.gz HGYIHMSXQXAMPZ-JOCHJYFZSA-N 2 2 386.540 2.475 50 0 GEAALP CCc1ncc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3CC)CC2)cn1 ZINC000091818924 571031669 /nfs/dbraw/zinc/03/16/69/571031669.db2.gz DZWQLWPSYLZIRZ-UHFFFAOYSA-N 2 2 380.500 2.275 50 0 GEAALP Cc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cc[nH+]1 ZINC000071639448 136165728 /nfs/dbraw/zinc/16/57/28/136165728.db2.gz ZXMATLHLZGZMAI-SFHVURJKSA-N 2 2 394.523 2.177 50 0 GEAALP Cc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cc[nH+]1 ZINC000071639448 136165729 /nfs/dbraw/zinc/16/57/29/136165729.db2.gz ZXMATLHLZGZMAI-SFHVURJKSA-N 2 2 394.523 2.177 50 0 GEAALP Cc1cccc(N2CC[NH+](CC(=O)N3CCC(c4[nH+]ccn4C)CC3)CC2)c1 ZINC000095513347 136180633 /nfs/dbraw/zinc/18/06/33/136180633.db2.gz JKIYITLXLVUJEE-UHFFFAOYSA-N 2 2 381.524 2.257 50 0 GEAALP Cn1c(CC2CC[NH2+]CC2)nnc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000055183131 222018955 /nfs/dbraw/zinc/01/89/55/222018955.db2.gz JZAIZZNQEQGBBG-QFIPXVFZSA-N 2 2 383.540 2.303 50 0 GEAALP C[N@H+](CC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1)C1CC[NH2+]CC1 ZINC000065493512 222132368 /nfs/dbraw/zinc/13/23/68/222132368.db2.gz PLGITQCACIIDSF-FCHUYYIVSA-N 2 2 381.520 2.200 50 0 GEAALP C[N@@H+](CC(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1)C1CC[NH2+]CC1 ZINC000065493512 222132372 /nfs/dbraw/zinc/13/23/72/222132372.db2.gz PLGITQCACIIDSF-FCHUYYIVSA-N 2 2 381.520 2.200 50 0 GEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)no1 ZINC000071752557 222191561 /nfs/dbraw/zinc/19/15/61/222191561.db2.gz JXCLNBAIFBTOSB-IBGZPJMESA-N 2 2 397.523 2.371 50 0 GEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)no1 ZINC000071752557 222191565 /nfs/dbraw/zinc/19/15/65/222191565.db2.gz JXCLNBAIFBTOSB-IBGZPJMESA-N 2 2 397.523 2.371 50 0 GEAALP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000067895095 222165014 /nfs/dbraw/zinc/16/50/14/222165014.db2.gz KMXMIAOWADINNI-QGZVFWFLSA-N 2 2 385.508 2.370 50 0 GEAALP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000067895095 222165017 /nfs/dbraw/zinc/16/50/17/222165017.db2.gz KMXMIAOWADINNI-QGZVFWFLSA-N 2 2 385.508 2.370 50 0 GEAALP COc1ccc(C(=O)NCCNc2cc(-n3c[nH+]c(C)c3C)nc(C)[nH+]2)cc1 ZINC000072446679 222260934 /nfs/dbraw/zinc/26/09/34/222260934.db2.gz DOATWGOWOSXWKW-UHFFFAOYSA-N 2 2 380.452 2.438 50 0 GEAALP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@H+](C)Cc3ccoc3)c2)CC1 ZINC000095504855 222338016 /nfs/dbraw/zinc/33/80/16/222338016.db2.gz CUQNBHYKKKBYEM-OAQYLSRUSA-N 2 2 387.524 2.289 50 0 GEAALP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3ccoc3)c2)CC1 ZINC000095504855 222338022 /nfs/dbraw/zinc/33/80/22/222338022.db2.gz CUQNBHYKKKBYEM-OAQYLSRUSA-N 2 2 387.524 2.289 50 0 GEAALP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)Cc3ccoc3)c2)CC1 ZINC000095504855 222338031 /nfs/dbraw/zinc/33/80/31/222338031.db2.gz CUQNBHYKKKBYEM-OAQYLSRUSA-N 2 2 387.524 2.289 50 0 GEAALP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3ccoc3)c2)CC1 ZINC000095504855 222338034 /nfs/dbraw/zinc/33/80/34/222338034.db2.gz CUQNBHYKKKBYEM-OAQYLSRUSA-N 2 2 387.524 2.289 50 0 GEAALP Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)c1 ZINC000095511104 222342104 /nfs/dbraw/zinc/34/21/04/222342104.db2.gz RWWYFXVAZJGHMT-IBGZPJMESA-N 2 2 383.496 2.245 50 0 GEAALP Cc1cc(C)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c(=O)[nH]1 ZINC000095510739 222342374 /nfs/dbraw/zinc/34/23/74/222342374.db2.gz INQSTSJVWKXQBQ-QGZVFWFLSA-N 2 2 385.512 2.160 50 0 GEAALP COc1cccc(C[N@@H+]2CCCC2(C)C)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095522907 222348972 /nfs/dbraw/zinc/34/89/72/222348972.db2.gz GGYDGDGHLSYWOC-GOSISDBHSA-N 2 2 378.513 2.142 50 0 GEAALP COc1cccc(C[N@H+]2CCCC2(C)C)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095522907 222348975 /nfs/dbraw/zinc/34/89/75/222348975.db2.gz GGYDGDGHLSYWOC-GOSISDBHSA-N 2 2 378.513 2.142 50 0 GEAALP Cc1c(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)cnn1C ZINC000096162862 222393516 /nfs/dbraw/zinc/39/35/16/222393516.db2.gz AILWUVRVLXRTEE-UHFFFAOYSA-N 2 2 380.500 2.279 50 0 GEAALP CC(C)C[N@@H+]1CCN(C(=O)c2ccc(-c3cccc(N)[nH+]3)cc2)C[C@@H]1CCO ZINC000426668950 528001216 /nfs/dbraw/zinc/00/12/16/528001216.db2.gz FVSHQYXZWGUIBG-IBGZPJMESA-N 2 2 382.508 2.496 50 0 GEAALP CC(C)C[N@H+]1CCN(C(=O)c2ccc(-c3cccc(N)[nH+]3)cc2)C[C@@H]1CCO ZINC000426668950 528001218 /nfs/dbraw/zinc/00/12/18/528001218.db2.gz FVSHQYXZWGUIBG-IBGZPJMESA-N 2 2 382.508 2.496 50 0 GEAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+][C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC000095507147 535437185 /nfs/dbraw/zinc/43/71/85/535437185.db2.gz GTYRQPRVKFCNEW-FQEVSTJZSA-N 2 2 381.524 2.393 50 0 GEAALP O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019800250 570220792 /nfs/dbraw/zinc/22/07/92/570220792.db2.gz FSOJVQAMNFBISP-UHFFFAOYSA-N 2 2 379.504 2.477 50 0 GEAALP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000019809499 570221201 /nfs/dbraw/zinc/22/12/01/570221201.db2.gz WAIJYHRIILISAP-UHFFFAOYSA-N 2 2 383.895 2.140 50 0 GEAALP Cc1cnccc1C[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000096851286 570232678 /nfs/dbraw/zinc/23/26/78/570232678.db2.gz FISHMUASUMIQGQ-NRFANRHFSA-N 2 2 385.508 2.094 50 0 GEAALP Cc1cnccc1C[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000096851286 570232682 /nfs/dbraw/zinc/23/26/82/570232682.db2.gz FISHMUASUMIQGQ-NRFANRHFSA-N 2 2 385.508 2.094 50 0 GEAALP [NH3+][C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000244882770 570433953 /nfs/dbraw/zinc/43/39/53/570433953.db2.gz XYSOSYIQGOZRKL-PCCBWWKXSA-N 3 2 399.583 2.144 50 0 GEAALP [NH3+][C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000244882770 570433955 /nfs/dbraw/zinc/43/39/55/570433955.db2.gz XYSOSYIQGOZRKL-PCCBWWKXSA-N 3 2 399.583 2.144 50 0 GEAALP Cc1cccc(Cn2nc(C[NH2+]CCC[NH2+]CCO)c(-c3ccccc3)n2)c1 ZINC000261491636 570789595 /nfs/dbraw/zinc/78/95/95/570789595.db2.gz AEEGASNCSWISDC-UHFFFAOYSA-N 2 2 379.508 2.363 50 0 GEAALP Cc1cc(NCc2cccnc2N2CCN(c3cccc[nH+]3)CC2)nc(N)[nH+]1 ZINC000019222877 570963517 /nfs/dbraw/zinc/96/35/17/570963517.db2.gz KGZLUPUDNXJNCQ-UHFFFAOYSA-N 2 2 376.468 2.096 50 0 GEAALP Cc1c(C[NH+]2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)cnn1C ZINC000091625117 571018990 /nfs/dbraw/zinc/01/89/90/571018990.db2.gz GQSVGJGBSOLWKL-UHFFFAOYSA-N 2 2 384.528 2.220 50 0 GEAALP C[NH+](C)CCn1ccnc1C1CCN(C(=O)C[NH+]2Cc3ccccc3C2)CC1 ZINC000091780776 571030214 /nfs/dbraw/zinc/03/02/14/571030214.db2.gz CNMCICJYXOMKSL-UHFFFAOYSA-N 2 2 381.524 2.167 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](CCOCc2ccccc2)C1 ZINC000095365917 571057858 /nfs/dbraw/zinc/05/78/58/571057858.db2.gz HCQIMILAXBHAGV-LJQANCHMSA-N 2 2 380.496 2.456 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000095365917 571057863 /nfs/dbraw/zinc/05/78/63/571057863.db2.gz HCQIMILAXBHAGV-LJQANCHMSA-N 2 2 380.496 2.456 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](CCOCc2ccccc2)C1 ZINC000095365918 571058478 /nfs/dbraw/zinc/05/84/78/571058478.db2.gz HCQIMILAXBHAGV-IBGZPJMESA-N 2 2 380.496 2.456 50 0 GEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000095365918 571058481 /nfs/dbraw/zinc/05/84/81/571058481.db2.gz HCQIMILAXBHAGV-IBGZPJMESA-N 2 2 380.496 2.456 50 0 GEAALP CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Br)c1OC(C)C ZINC000040719598 531661000 /nfs/dbraw/zinc/66/10/00/531661000.db2.gz KPDPPUOPLXOOEA-UHFFFAOYSA-N 2 2 375.307 2.307 50 0 GEAALP O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000009996864 221095434 /nfs/dbraw/zinc/09/54/34/221095434.db2.gz VWTRJTLSNMXACE-UHFFFAOYSA-N 2 2 396.510 2.292 50 0 GEAALP COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000011843001 221131885 /nfs/dbraw/zinc/13/18/85/221131885.db2.gz RFKBLAHZQFLVCT-SFHVURJKSA-N 2 2 387.524 2.333 50 0 GEAALP COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000011843001 221131887 /nfs/dbraw/zinc/13/18/87/221131887.db2.gz RFKBLAHZQFLVCT-SFHVURJKSA-N 2 2 387.524 2.333 50 0 GEAALP COc1cc(C[NH2+]CC2CCCCC2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000011879364 221134899 /nfs/dbraw/zinc/13/48/99/221134899.db2.gz VYNXMYWYWQAHNQ-HXUWFJFHSA-N 2 2 392.540 2.437 50 0 GEAALP O[C@H](COc1cccc(C[NH2+]Cc2ccc(F)cc2F)c1)C[NH+]1CCOCC1 ZINC000012597331 221212999 /nfs/dbraw/zinc/21/29/99/221212999.db2.gz NENVECPBEJIKNB-IBGZPJMESA-N 2 2 392.446 2.327 50 0 GEAALP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000015079427 221332648 /nfs/dbraw/zinc/33/26/48/221332648.db2.gz PVAMCLQJOGAXBJ-KRWDZBQOSA-N 2 2 384.528 2.362 50 0 GEAALP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CC[N@@H+](C)[C@@H](C)C2)nc1 ZINC000015079427 221332651 /nfs/dbraw/zinc/33/26/51/221332651.db2.gz PVAMCLQJOGAXBJ-KRWDZBQOSA-N 2 2 384.528 2.362 50 0 GEAALP CC(=O)N(C)c1ccc(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000065459756 136164122 /nfs/dbraw/zinc/16/41/22/136164122.db2.gz VXNNGIFBLXITCC-UHFFFAOYSA-N 2 2 381.480 2.133 50 0 GEAALP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071747338 222190084 /nfs/dbraw/zinc/19/00/84/222190084.db2.gz DPCUMMLXARMNAN-OAQYLSRUSA-N 3 2 395.551 2.376 50 0 GEAALP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071747338 222190085 /nfs/dbraw/zinc/19/00/85/222190085.db2.gz DPCUMMLXARMNAN-OAQYLSRUSA-N 3 2 395.551 2.376 50 0 GEAALP O=C(NCCn1ccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071747338 222190089 /nfs/dbraw/zinc/19/00/89/222190089.db2.gz DPCUMMLXARMNAN-OAQYLSRUSA-N 2 2 395.551 2.376 50 0 GEAALP O=C(NCCn1ccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071747338 222190091 /nfs/dbraw/zinc/19/00/91/222190091.db2.gz DPCUMMLXARMNAN-OAQYLSRUSA-N 2 2 395.551 2.376 50 0 GEAALP CCc1ccc(C(=O)N2CCN(c3cc(-n4cc[nH+]c4C)nc[nH+]3)CC2)cc1 ZINC000067612445 222151677 /nfs/dbraw/zinc/15/16/77/222151677.db2.gz YUZDVAKKDAPESD-UHFFFAOYSA-N 2 2 376.464 2.496 50 0 GEAALP CC(C)(C[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O)[NH+]1CCCC1 ZINC000067673940 222154863 /nfs/dbraw/zinc/15/48/63/222154863.db2.gz GRYNAEAHVBYNOE-NRFANRHFSA-N 2 2 395.494 2.282 50 0 GEAALP Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000067920085 222167739 /nfs/dbraw/zinc/16/77/39/222167739.db2.gz NVUJENJLEYZCHQ-HXUWFJFHSA-N 2 2 381.524 2.316 50 0 GEAALP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)o1 ZINC000067981780 222171354 /nfs/dbraw/zinc/17/13/54/222171354.db2.gz YQFXXNSEXALBTN-GOSISDBHSA-N 2 2 375.513 2.123 50 0 GEAALP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)o1 ZINC000067981780 222171356 /nfs/dbraw/zinc/17/13/56/222171356.db2.gz YQFXXNSEXALBTN-GOSISDBHSA-N 2 2 375.513 2.123 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C)c(C)o3)CC2)C1 ZINC000071315711 222180250 /nfs/dbraw/zinc/18/02/50/222180250.db2.gz JMMUEWQMEDPRNN-GOSISDBHSA-N 2 2 377.529 2.335 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C)c(C)o3)CC2)C1 ZINC000071315711 222180252 /nfs/dbraw/zinc/18/02/52/222180252.db2.gz JMMUEWQMEDPRNN-GOSISDBHSA-N 2 2 377.529 2.335 50 0 GEAALP CC(C)OCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071416346 222183235 /nfs/dbraw/zinc/18/32/35/222183235.db2.gz QXVWVUDWHNCJRP-FQEVSTJZSA-N 2 2 388.556 2.299 50 0 GEAALP CC(C)OCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071416346 222183238 /nfs/dbraw/zinc/18/32/38/222183238.db2.gz QXVWVUDWHNCJRP-FQEVSTJZSA-N 2 2 388.556 2.299 50 0 GEAALP O=C(NC1CCOCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071419109 222183303 /nfs/dbraw/zinc/18/33/03/222183303.db2.gz IJDBNGMKTUNFEJ-IBGZPJMESA-N 2 2 386.540 2.053 50 0 GEAALP O=C(NC1CCOCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071419109 222183307 /nfs/dbraw/zinc/18/33/07/222183307.db2.gz IJDBNGMKTUNFEJ-IBGZPJMESA-N 2 2 386.540 2.053 50 0 GEAALP Cc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)cc[nH+]1 ZINC000071404197 222184053 /nfs/dbraw/zinc/18/40/53/222184053.db2.gz MJCXMVQAIDTQGO-LJQANCHMSA-N 2 2 394.523 2.177 50 0 GEAALP Cc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)cc[nH+]1 ZINC000071404197 222184055 /nfs/dbraw/zinc/18/40/55/222184055.db2.gz MJCXMVQAIDTQGO-LJQANCHMSA-N 2 2 394.523 2.177 50 0 GEAALP O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000071551943 222186278 /nfs/dbraw/zinc/18/62/78/222186278.db2.gz CATISDJGBYGMPL-OAQYLSRUSA-N 2 2 386.540 2.053 50 0 GEAALP O=C(NCc1ccon1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071745603 222187843 /nfs/dbraw/zinc/18/78/43/222187843.db2.gz HSAAQCNYOSBWCV-GOSISDBHSA-N 2 2 383.496 2.062 50 0 GEAALP O=C(NCc1ccon1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071745603 222187845 /nfs/dbraw/zinc/18/78/45/222187845.db2.gz HSAAQCNYOSBWCV-GOSISDBHSA-N 2 2 383.496 2.062 50 0 GEAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071746476 222188263 /nfs/dbraw/zinc/18/82/63/222188263.db2.gz YUQCCSQUZQZNRD-OAQYLSRUSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071746476 222188267 /nfs/dbraw/zinc/18/82/67/222188267.db2.gz YUQCCSQUZQZNRD-OAQYLSRUSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCCc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071746394 222188647 /nfs/dbraw/zinc/18/86/47/222188647.db2.gz HYSGLGNLYACVDF-FQEVSTJZSA-N 3 2 395.551 2.445 50 0 GEAALP O=C(NCCc1c[nH+]c[nH]1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071746394 222188649 /nfs/dbraw/zinc/18/86/49/222188649.db2.gz HYSGLGNLYACVDF-FQEVSTJZSA-N 3 2 395.551 2.445 50 0 GEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)[nH]n1 ZINC000071752741 222192084 /nfs/dbraw/zinc/19/20/84/222192084.db2.gz CARDCGKVTLIYSQ-IBGZPJMESA-N 2 2 396.539 2.106 50 0 GEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)[nH]n1 ZINC000071752741 222192088 /nfs/dbraw/zinc/19/20/88/222192088.db2.gz CARDCGKVTLIYSQ-IBGZPJMESA-N 2 2 396.539 2.106 50 0 GEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)[nH+]cn1 ZINC000072139980 222210729 /nfs/dbraw/zinc/21/07/29/222210729.db2.gz IBWHVRXIIFZLMH-UHFFFAOYSA-N 2 2 381.415 2.464 50 0 GEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)[nH+]cn1 ZINC000072139276 222211103 /nfs/dbraw/zinc/21/11/03/222211103.db2.gz NRDKIYZMGDCHOL-UHFFFAOYSA-N 2 2 381.415 2.464 50 0 GEAALP Cc1cccc(C[NH+]2CCN(C(=O)c3cn(CC[C@H]4CCCC[NH2+]4)nn3)CC2)c1 ZINC000072433589 222260359 /nfs/dbraw/zinc/26/03/59/222260359.db2.gz BJRKEUYNFKTFAO-HXUWFJFHSA-N 2 2 396.539 2.077 50 0 GEAALP CCNc1ncc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)cn1 ZINC000095499226 222334015 /nfs/dbraw/zinc/33/40/15/222334015.db2.gz ODCNRXOACVIFHG-UHFFFAOYSA-N 2 2 385.516 2.076 50 0 GEAALP CC(C)[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1NS(C)(=O)=O ZINC000082083486 222306921 /nfs/dbraw/zinc/30/69/21/222306921.db2.gz ZABKKMFXKILZLV-VQTJNVASSA-N 2 2 379.570 2.157 50 0 GEAALP CC(C)[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1NS(C)(=O)=O ZINC000082083486 222306922 /nfs/dbraw/zinc/30/69/22/222306922.db2.gz ZABKKMFXKILZLV-VQTJNVASSA-N 2 2 379.570 2.157 50 0 GEAALP CCC1CC[NH+](Cc2cccc(OC)c2OC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000095518000 222344816 /nfs/dbraw/zinc/34/48/16/222344816.db2.gz QCEZTRZBUFREPE-HXUWFJFHSA-N 2 2 392.540 2.389 50 0 GEAALP CCCc1cnc(C)nc1N1CCC([NH2+]CC[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000095497892 535436706 /nfs/dbraw/zinc/43/67/06/535436706.db2.gz IEUHVWPWPSQOME-GOSISDBHSA-N 2 2 375.561 2.000 50 0 GEAALP CCCc1cnc(C)nc1N1CCC([NH2+]CC[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000095497892 535436709 /nfs/dbraw/zinc/43/67/09/535436709.db2.gz IEUHVWPWPSQOME-GOSISDBHSA-N 2 2 375.561 2.000 50 0 GEAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@H]2O)CC1 ZINC000020254615 570250222 /nfs/dbraw/zinc/25/02/22/570250222.db2.gz HWRXEYKEJOKOIQ-DNQXCXABSA-N 2 2 395.547 2.448 50 0 GEAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C[C@H]2O)CC1 ZINC000020254615 570250223 /nfs/dbraw/zinc/25/02/23/570250223.db2.gz HWRXEYKEJOKOIQ-DNQXCXABSA-N 2 2 395.547 2.448 50 0 GEAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cccc4c3OCO4)C[C@H]2CCO)CC1 ZINC000104517970 570260239 /nfs/dbraw/zinc/26/02/39/570260239.db2.gz HOJASHNVHAVXQH-HXUWFJFHSA-N 2 2 389.540 2.157 50 0 GEAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cccc4c3OCO4)C[C@H]2CCO)CC1 ZINC000104517970 570260240 /nfs/dbraw/zinc/26/02/40/570260240.db2.gz HOJASHNVHAVXQH-HXUWFJFHSA-N 2 2 389.540 2.157 50 0 GEAALP CNC(=O)c1nn(C)c2c1C[C@@H]([NH2+]CC[NH+]1CCC(c3ccccc3)CC1)CC2 ZINC000022893445 570333288 /nfs/dbraw/zinc/33/32/88/570333288.db2.gz YBFQBEHKVVUIMM-IBGZPJMESA-N 2 2 395.551 2.106 50 0 GEAALP CCOc1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)ccc1OC ZINC000023145509 570346455 /nfs/dbraw/zinc/34/64/55/570346455.db2.gz GACNAEDAEAYZEQ-FQEVSTJZSA-N 2 2 391.556 2.057 50 0 GEAALP CCOc1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)ccc1OC ZINC000023145509 570346461 /nfs/dbraw/zinc/34/64/61/570346461.db2.gz GACNAEDAEAYZEQ-FQEVSTJZSA-N 2 2 391.556 2.057 50 0 GEAALP CCOc1cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](CCO)C2)ccc1OC ZINC000023145509 570346466 /nfs/dbraw/zinc/34/64/66/570346466.db2.gz GACNAEDAEAYZEQ-FQEVSTJZSA-N 2 2 391.556 2.057 50 0 GEAALP CCOc1cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](CCO)C2)ccc1OC ZINC000023145509 570346468 /nfs/dbraw/zinc/34/64/68/570346468.db2.gz GACNAEDAEAYZEQ-FQEVSTJZSA-N 2 2 391.556 2.057 50 0 GEAALP COc1cccc(NC(=O)N2CCN(c3cc(-n4cc[nH+]c4C)nc[nH+]3)CC2)c1 ZINC000035598142 570400753 /nfs/dbraw/zinc/40/07/53/570400753.db2.gz QIIGNYWYTNINQG-UHFFFAOYSA-N 2 2 393.451 2.333 50 0 GEAALP C[NH2+]C1CC[NH+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)CC1 ZINC000048179559 570656232 /nfs/dbraw/zinc/65/62/32/570656232.db2.gz KDKPKJLTVBYPNJ-UHFFFAOYSA-N 2 2 392.507 2.060 50 0 GEAALP CCn1c(CN(C)Cc2[nH+]ccn2Cc2ccccc2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244764128 570696243 /nfs/dbraw/zinc/69/62/43/570696243.db2.gz PBVBXIQSJZQKBR-HDICACEKSA-N 2 2 379.512 2.380 50 0 GEAALP COc1cc(C[N@@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2CCO)cc(OC)c1 ZINC000072431343 570881817 /nfs/dbraw/zinc/88/18/17/570881817.db2.gz OKVMCQZGWYCAQJ-INIZCTEOSA-N 2 2 397.479 2.048 50 0 GEAALP COc1cc(C[N@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2CCO)cc(OC)c1 ZINC000072431343 570881824 /nfs/dbraw/zinc/88/18/24/570881824.db2.gz OKVMCQZGWYCAQJ-INIZCTEOSA-N 2 2 397.479 2.048 50 0 GEAALP Cc1ccc(C[N@H+]2CCn3nc(CCC(=O)N4CC[NH+](C)CC4)cc3C2)c(C)c1 ZINC000091519044 571012365 /nfs/dbraw/zinc/01/23/65/571012365.db2.gz KBVKQBYPULYDQL-UHFFFAOYSA-N 2 2 395.551 2.222 50 0 GEAALP Cc1ccc(C[N@@H+]2CCn3nc(CCC(=O)N4CC[NH+](C)CC4)cc3C2)c(C)c1 ZINC000091519044 571012367 /nfs/dbraw/zinc/01/23/67/571012367.db2.gz KBVKQBYPULYDQL-UHFFFAOYSA-N 2 2 395.551 2.222 50 0 GEAALP CCN1CC[NH+](C2CCN(C(=O)[C@@H](c3ccccc3F)[NH+](C)C)CC2)CC1 ZINC000095362702 571056687 /nfs/dbraw/zinc/05/66/87/571056687.db2.gz VSSJAWIUQHNFQY-HXUWFJFHSA-N 2 2 376.520 2.057 50 0 GEAALP Cc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000426551021 231240017 /nfs/dbraw/zinc/24/00/17/231240017.db2.gz DNQCPEDBNVQSND-LJQANCHMSA-N 2 2 383.540 2.460 50 0 GEAALP Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000426551021 231240021 /nfs/dbraw/zinc/24/00/21/231240021.db2.gz DNQCPEDBNVQSND-LJQANCHMSA-N 2 2 383.540 2.460 50 0 GEAALP Cc1c2[nH+]c[nH]c2cc(NC(=O)NCC[C@@H]2CCC(=O)N2CC[NH+](C)C)c1C ZINC000426697580 231252680 /nfs/dbraw/zinc/25/26/80/231252680.db2.gz SOPRHYSULJEVGB-HNNXBMFYSA-N 2 2 386.500 2.244 50 0 GEAALP Cc1c2[nH]c[nH+]c2cc(NC(=O)NCC[C@@H]2CCC(=O)N2CC[NH+](C)C)c1C ZINC000426697580 231252685 /nfs/dbraw/zinc/25/26/85/231252685.db2.gz SOPRHYSULJEVGB-HNNXBMFYSA-N 2 2 386.500 2.244 50 0 GEAALP [NH3+]C[C@@H]1CN(C(=O)c2cccc(-c3ccc(Cn4cc[nH+]c4)cc3)c2)CCO1 ZINC000426730380 231256942 /nfs/dbraw/zinc/25/69/42/231256942.db2.gz IABPLDMCNWJTQF-OAQYLSRUSA-N 2 2 376.460 2.398 50 0 GEAALP COc1ccc(C(=O)C[N@H+]2c3ccccc3N(CC[NH+](C)C)C2=N)cc1OC ZINC000367837771 212111054 /nfs/dbraw/zinc/11/10/54/212111054.db2.gz PPPHGGWDYWRODP-UHFFFAOYSA-N 2 2 382.464 2.384 50 0 GEAALP COc1ccc(C(=O)C[N@@H+]2c3ccccc3N(CC[NH+](C)C)C2=N)cc1OC ZINC000367837771 212111057 /nfs/dbraw/zinc/11/10/57/212111057.db2.gz PPPHGGWDYWRODP-UHFFFAOYSA-N 2 2 382.464 2.384 50 0 GEAALP CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N(C)C[C@H]2CCCC[N@@H+]2C)nc1 ZINC000015069521 221329680 /nfs/dbraw/zinc/32/96/80/221329680.db2.gz SLAHACRLPPTJQI-GOSISDBHSA-N 2 2 384.528 2.398 50 0 GEAALP CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N(C)C[C@H]2CCCC[N@H+]2C)nc1 ZINC000015069521 221329682 /nfs/dbraw/zinc/32/96/82/221329682.db2.gz SLAHACRLPPTJQI-GOSISDBHSA-N 2 2 384.528 2.398 50 0 GEAALP CC(C)[NH+]1CCC([N@@H+]2CCN(c3ncnc4ccsc43)C[C@@H]2CCO)CC1 ZINC000072467909 136171162 /nfs/dbraw/zinc/17/11/62/136171162.db2.gz IMUGGYMOOUOMNJ-KRWDZBQOSA-N 2 2 389.569 2.437 50 0 GEAALP CC(C)[NH+]1CCC([N@H+]2CCN(c3ncnc4ccsc43)C[C@@H]2CCO)CC1 ZINC000072467909 136171163 /nfs/dbraw/zinc/17/11/63/136171163.db2.gz IMUGGYMOOUOMNJ-KRWDZBQOSA-N 2 2 389.569 2.437 50 0 GEAALP Cc1cc(N2CCC([NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095503958 136180110 /nfs/dbraw/zinc/18/01/10/136180110.db2.gz OXZBYCJTQCLVQZ-WMZOPIPTSA-N 3 2 376.524 2.034 50 0 GEAALP O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000071748021 222189246 /nfs/dbraw/zinc/18/92/46/222189246.db2.gz KGLKFNIMJIVMDH-OAQYLSRUSA-N 2 2 386.540 2.053 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000067643437 222152912 /nfs/dbraw/zinc/15/29/12/222152912.db2.gz YROBQDGMBJEYGS-LJQANCHMSA-N 2 2 389.540 2.134 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000067643437 222152915 /nfs/dbraw/zinc/15/29/15/222152915.db2.gz YROBQDGMBJEYGS-LJQANCHMSA-N 2 2 389.540 2.134 50 0 GEAALP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000068204276 222171747 /nfs/dbraw/zinc/17/17/47/222171747.db2.gz YAMSXCOVJUUMCT-YADHBBJMSA-N 2 2 379.504 2.485 50 0 in-vitro GEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)[nH]n1 ZINC000071779854 222197747 /nfs/dbraw/zinc/19/77/47/222197747.db2.gz VZVHHGIDOHVXKX-IBGZPJMESA-N 2 2 396.539 2.106 50 0 GEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)[nH]n1 ZINC000071779854 222197750 /nfs/dbraw/zinc/19/77/50/222197750.db2.gz VZVHHGIDOHVXKX-IBGZPJMESA-N 2 2 396.539 2.106 50 0 GEAALP CNC(=O)C[N@H+](C)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095499561 222334055 /nfs/dbraw/zinc/33/40/55/222334055.db2.gz PCGDDLVLBATCMY-GOSISDBHSA-N 2 2 397.947 2.134 50 0 GEAALP CNC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095499561 222334056 /nfs/dbraw/zinc/33/40/56/222334056.db2.gz PCGDDLVLBATCMY-GOSISDBHSA-N 2 2 397.947 2.134 50 0 GEAALP COc1cccc(C[N@H+](C)CC(C)(C)C)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095504487 222336542 /nfs/dbraw/zinc/33/65/42/222336542.db2.gz GGHQVGRBZWRSFQ-SFHVURJKSA-N 2 2 380.529 2.245 50 0 GEAALP COc1cccc(C[N@@H+](C)CC(C)(C)C)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095504487 222336544 /nfs/dbraw/zinc/33/65/44/222336544.db2.gz GGHQVGRBZWRSFQ-SFHVURJKSA-N 2 2 380.529 2.245 50 0 GEAALP Cc1cc(C)c(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c(=O)[nH]1 ZINC000095510738 222342291 /nfs/dbraw/zinc/34/22/91/222342291.db2.gz INQSTSJVWKXQBQ-KRWDZBQOSA-N 2 2 385.512 2.160 50 0 GEAALP COc1cc(C[N@@H+]2CCCCC23CC3)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095529538 222353294 /nfs/dbraw/zinc/35/32/94/222353294.db2.gz BIMSOTOFENCQBJ-IBGZPJMESA-N 2 2 390.524 2.286 50 0 GEAALP COc1cc(C[N@H+]2CCCCC23CC3)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095529538 222353298 /nfs/dbraw/zinc/35/32/98/222353298.db2.gz BIMSOTOFENCQBJ-IBGZPJMESA-N 2 2 390.524 2.286 50 0 GEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000426509887 534687894 /nfs/dbraw/zinc/68/78/94/534687894.db2.gz FJGIFVPZEAFZSJ-INIZCTEOSA-N 2 2 381.484 2.327 50 0 GEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000426509887 534687904 /nfs/dbraw/zinc/68/79/04/534687904.db2.gz FJGIFVPZEAFZSJ-INIZCTEOSA-N 2 2 381.484 2.327 50 0 GEAALP CC[NH+](CC)CC[NH2+][C@@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 ZINC000096405063 570229175 /nfs/dbraw/zinc/22/91/75/570229175.db2.gz WFYIAUBSTOOQHE-LJQANCHMSA-N 2 2 397.567 2.181 50 0 GEAALP Cc1cnccc1C[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000096851285 570232733 /nfs/dbraw/zinc/23/27/33/570232733.db2.gz FISHMUASUMIQGQ-OAQYLSRUSA-N 2 2 385.508 2.094 50 0 GEAALP Cc1cnccc1C[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000096851285 570232736 /nfs/dbraw/zinc/23/27/36/570232736.db2.gz FISHMUASUMIQGQ-OAQYLSRUSA-N 2 2 385.508 2.094 50 0 GEAALP COc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1O ZINC000104645780 570255827 /nfs/dbraw/zinc/25/58/27/570255827.db2.gz KQSFGFHPTKSMAN-HXUWFJFHSA-N 2 2 391.556 2.142 50 0 GEAALP COc1ccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1O ZINC000104645780 570255828 /nfs/dbraw/zinc/25/58/28/570255828.db2.gz KQSFGFHPTKSMAN-HXUWFJFHSA-N 2 2 391.556 2.142 50 0 GEAALP COc1ccc(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1O ZINC000104645780 570255829 /nfs/dbraw/zinc/25/58/29/570255829.db2.gz KQSFGFHPTKSMAN-HXUWFJFHSA-N 2 2 391.556 2.142 50 0 GEAALP COc1ccc(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1O ZINC000104645780 570255830 /nfs/dbraw/zinc/25/58/30/570255830.db2.gz KQSFGFHPTKSMAN-HXUWFJFHSA-N 2 2 391.556 2.142 50 0 GEAALP CCOc1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)ccc1OC ZINC000022853355 570331555 /nfs/dbraw/zinc/33/15/55/570331555.db2.gz GACNAEDAEAYZEQ-HXUWFJFHSA-N 2 2 391.556 2.057 50 0 GEAALP CCOc1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)ccc1OC ZINC000022853355 570331559 /nfs/dbraw/zinc/33/15/59/570331559.db2.gz GACNAEDAEAYZEQ-HXUWFJFHSA-N 2 2 391.556 2.057 50 0 GEAALP CCOc1cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](CCO)C2)ccc1OC ZINC000022853355 570331561 /nfs/dbraw/zinc/33/15/61/570331561.db2.gz GACNAEDAEAYZEQ-HXUWFJFHSA-N 2 2 391.556 2.057 50 0 GEAALP CCOc1cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](CCO)C2)ccc1OC ZINC000022853355 570331565 /nfs/dbraw/zinc/33/15/65/570331565.db2.gz GACNAEDAEAYZEQ-HXUWFJFHSA-N 2 2 391.556 2.057 50 0 GEAALP COc1cccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)c1OCC[NH+](C)C ZINC000055072661 570681538 /nfs/dbraw/zinc/68/15/38/570681538.db2.gz JHPLCGASEDWIAK-UHFFFAOYSA-N 2 2 377.529 2.326 50 0 GEAALP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000248081922 570720508 /nfs/dbraw/zinc/72/05/08/570720508.db2.gz QKOAKWIVMLLXHV-GOSISDBHSA-N 2 2 383.540 2.340 50 0 GEAALP CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000248081922 570720510 /nfs/dbraw/zinc/72/05/10/570720510.db2.gz QKOAKWIVMLLXHV-GOSISDBHSA-N 2 2 383.540 2.340 50 0 GEAALP COCC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@H]1CCSC1 ZINC000089669491 570908801 /nfs/dbraw/zinc/90/88/01/570908801.db2.gz BXOBHFKBBGBFQQ-FQEVSTJZSA-N 2 2 391.581 2.093 50 0 GEAALP COCC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@H]1CCSC1 ZINC000089669491 570908805 /nfs/dbraw/zinc/90/88/05/570908805.db2.gz BXOBHFKBBGBFQQ-FQEVSTJZSA-N 2 2 391.581 2.093 50 0 GEAALP CCC[NH+]1CCC(N2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)CC1 ZINC000019594766 571020205 /nfs/dbraw/zinc/02/02/05/571020205.db2.gz SPYAWIZXTAWUHJ-QFIPXVFZSA-N 3 2 380.621 2.102 50 0 GEAALP CCC[NH+]1CCC(N2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)CC1 ZINC000019594766 571020208 /nfs/dbraw/zinc/02/02/08/571020208.db2.gz SPYAWIZXTAWUHJ-QFIPXVFZSA-N 3 2 380.621 2.102 50 0 GEAALP CCC[NH+]1CCC([N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)CC1 ZINC000019594766 571020211 /nfs/dbraw/zinc/02/02/11/571020211.db2.gz SPYAWIZXTAWUHJ-QFIPXVFZSA-N 3 2 380.621 2.102 50 0 GEAALP CCC[NH+]1CCC([N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)CC1 ZINC000019594766 571020213 /nfs/dbraw/zinc/02/02/13/571020213.db2.gz SPYAWIZXTAWUHJ-QFIPXVFZSA-N 3 2 380.621 2.102 50 0 GEAALP OC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000656260058 532610322 /nfs/dbraw/zinc/61/03/22/532610322.db2.gz IJCOJZDBFCVREH-PBHICJAKSA-N 2 2 387.293 2.465 50 0 GEAALP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000009851451 221092765 /nfs/dbraw/zinc/09/27/65/221092765.db2.gz OOYCNMXRGGKROI-UHFFFAOYSA-N 2 2 399.457 2.366 50 0 GEAALP Cc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)o1 ZINC000012583239 221210486 /nfs/dbraw/zinc/21/04/86/221210486.db2.gz JLCCNISDLCDXNN-UHFFFAOYSA-N 2 2 375.513 2.123 50 0 GEAALP COC(=O)c1ccc(-c2noc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000012708107 221219144 /nfs/dbraw/zinc/21/91/44/221219144.db2.gz WFEVQVJSAGAAEI-UHFFFAOYSA-N 2 2 379.420 2.240 50 0 GEAALP CCCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000014745417 221315355 /nfs/dbraw/zinc/31/53/55/221315355.db2.gz XKGHMVKWGUWIHF-IBGZPJMESA-N 2 2 395.551 2.328 50 0 GEAALP COc1cccc(C(=O)N2CCN(c3ccc(Cn4cc[nH+]c4)c[nH+]3)CC2)c1 ZINC000077303096 136171986 /nfs/dbraw/zinc/17/19/86/136171986.db2.gz VCDHUODQAYQFFW-UHFFFAOYSA-N 2 2 377.448 2.297 50 0 GEAALP CN1CC[NH+]([C@H]2CCN(c3cc(C(F)(F)F)cc[nH+]3)C[C@H]2CCCO)CC1 ZINC000091644429 136176870 /nfs/dbraw/zinc/17/68/70/136176870.db2.gz XUCNEFDEUZZVCP-WBVHZDCISA-N 2 2 386.462 2.315 50 0 GEAALP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000095369494 136178389 /nfs/dbraw/zinc/17/83/89/136178389.db2.gz QCJRXHJWPYQESS-HXUWFJFHSA-N 2 2 380.492 2.199 50 0 GEAALP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000095369494 136178390 /nfs/dbraw/zinc/17/83/90/136178390.db2.gz QCJRXHJWPYQESS-HXUWFJFHSA-N 2 2 380.492 2.199 50 0 GEAALP O[C@@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000058120615 222039863 /nfs/dbraw/zinc/03/98/63/222039863.db2.gz RJSXYSSAOKUVLJ-QHCPKHFHSA-N 2 2 395.547 2.087 50 0 GEAALP COc1cc[nH+]c(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071419558 222183253 /nfs/dbraw/zinc/18/32/53/222183253.db2.gz OAZCBPFCWDWKOH-SFHVURJKSA-N 2 2 386.540 2.389 50 0 GEAALP COc1cc[nH+]c(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000071419558 222183255 /nfs/dbraw/zinc/18/32/55/222183255.db2.gz OAZCBPFCWDWKOH-SFHVURJKSA-N 2 2 386.540 2.389 50 0 GEAALP O=C(NCc1ccncc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071575691 222185559 /nfs/dbraw/zinc/18/55/59/222185559.db2.gz QTCRCQASGUWSJW-NRFANRHFSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1ccncc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071575691 222185564 /nfs/dbraw/zinc/18/55/64/222185564.db2.gz QTCRCQASGUWSJW-NRFANRHFSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000071752646 222192237 /nfs/dbraw/zinc/19/22/37/222192237.db2.gz ARLGOJOVILLVNX-FQEVSTJZSA-N 2 2 393.535 2.469 50 0 GEAALP O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000071752646 222192240 /nfs/dbraw/zinc/19/22/40/222192240.db2.gz ARLGOJOVILLVNX-FQEVSTJZSA-N 2 2 393.535 2.469 50 0 GEAALP O=C1CC[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)CC[C@H]2N1CCc1c[nH+]c[nH]1 ZINC000072419549 222257127 /nfs/dbraw/zinc/25/71/27/222257127.db2.gz NVHPWWGBWRCHCJ-FUHWJXTLSA-N 2 2 382.464 2.194 50 0 GEAALP O=C1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)CC[C@H]2N1CCc1c[nH+]c[nH]1 ZINC000072419549 222257130 /nfs/dbraw/zinc/25/71/30/222257130.db2.gz NVHPWWGBWRCHCJ-FUHWJXTLSA-N 2 2 382.464 2.194 50 0 GEAALP O=C1CC[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)CC[C@H]2N1CCc1c[nH]c[nH+]1 ZINC000072419549 222257133 /nfs/dbraw/zinc/25/71/33/222257133.db2.gz NVHPWWGBWRCHCJ-FUHWJXTLSA-N 2 2 382.464 2.194 50 0 GEAALP O=C1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)CC[C@H]2N1CCc1c[nH]c[nH+]1 ZINC000072419549 222257135 /nfs/dbraw/zinc/25/71/35/222257135.db2.gz NVHPWWGBWRCHCJ-FUHWJXTLSA-N 2 2 382.464 2.194 50 0 GEAALP O=C(Cc1ccc(O)cc1)N[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000072447377 222263341 /nfs/dbraw/zinc/26/33/41/222263341.db2.gz YEAPUPSTUXCCIX-YADHBBJMSA-N 2 2 394.519 2.231 50 0 GEAALP COc1cccc(C[N@@H+]2CCCCC23CC3)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095517156 222344561 /nfs/dbraw/zinc/34/45/61/222344561.db2.gz SFJPRTWIVYNDMX-LJQANCHMSA-N 2 2 390.524 2.286 50 0 GEAALP COc1cccc(C[N@H+]2CCCCC23CC3)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095517156 222344564 /nfs/dbraw/zinc/34/45/64/222344564.db2.gz SFJPRTWIVYNDMX-LJQANCHMSA-N 2 2 390.524 2.286 50 0 GEAALP Cc1c[nH]c(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)[nH+]1 ZINC000082120151 222310056 /nfs/dbraw/zinc/31/00/56/222310056.db2.gz SBPVUAXTUJMFIQ-SFHVURJKSA-N 2 2 396.539 2.106 50 0 GEAALP Cc1c[nH]c(CN2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)[nH+]1 ZINC000082120151 222310059 /nfs/dbraw/zinc/31/00/59/222310059.db2.gz SBPVUAXTUJMFIQ-SFHVURJKSA-N 2 2 396.539 2.106 50 0 GEAALP C[NH+]1CCN(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccc(Cl)c(F)c4)[C@@H]3C2)CC1 ZINC000082170805 222312707 /nfs/dbraw/zinc/31/27/07/222312707.db2.gz ZBWGHFKVCYGRKP-MAUKXSAKSA-N 2 2 380.895 2.353 50 0 GEAALP C[NH+]1CCN(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccc(Cl)c(F)c4)[C@@H]3C2)CC1 ZINC000082170805 222312711 /nfs/dbraw/zinc/31/27/11/222312711.db2.gz ZBWGHFKVCYGRKP-MAUKXSAKSA-N 2 2 380.895 2.353 50 0 GEAALP C[N@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1)C1CCSCC1 ZINC000095526123 222351714 /nfs/dbraw/zinc/35/17/14/222351714.db2.gz MOHZMWILRNFHRW-LJQANCHMSA-N 2 2 380.554 2.086 50 0 GEAALP C[N@@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1)C1CCSCC1 ZINC000095526123 222351717 /nfs/dbraw/zinc/35/17/17/222351717.db2.gz MOHZMWILRNFHRW-LJQANCHMSA-N 2 2 380.554 2.086 50 0 GEAALP C[NH+](C)C1CC[NH+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)CC1 ZINC000095531646 222354416 /nfs/dbraw/zinc/35/44/16/222354416.db2.gz GNVKRYQCLHSBFV-FQEVSTJZSA-N 3 2 393.597 2.001 50 0 GEAALP Cc1ccc2occ(C[N@H+]3CCN(C4CC[NH+](C)CC4)[C@@H](CCO)C3)c(=O)c2c1 ZINC000019742820 570212664 /nfs/dbraw/zinc/21/26/64/570212664.db2.gz HTUFORPEQYNONT-FQEVSTJZSA-N 2 2 399.535 2.064 50 0 GEAALP Cc1ccc2occ(C[N@@H+]3CCN(C4CC[NH+](C)CC4)[C@@H](CCO)C3)c(=O)c2c1 ZINC000019742820 570212667 /nfs/dbraw/zinc/21/26/67/570212667.db2.gz HTUFORPEQYNONT-FQEVSTJZSA-N 2 2 399.535 2.064 50 0 GEAALP O[C@H]1CN(Cc2cccc(OCCCn3cc[nH+]c3)c2)C[C@@H]1[NH+]1CCCCC1 ZINC000215316995 570287143 /nfs/dbraw/zinc/28/71/43/570287143.db2.gz ICOSQNRENQJLMH-VXKWHMMOSA-N 2 2 384.524 2.383 50 0 GEAALP C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000034684071 570301272 /nfs/dbraw/zinc/30/12/72/570301272.db2.gz NAVBRCJDHCTPLU-UHFFFAOYSA-N 2 2 380.536 2.296 50 0 GEAALP CC(C)n1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cn1 ZINC000023360776 570356773 /nfs/dbraw/zinc/35/67/73/570356773.db2.gz ABBHBDOSNBVXDX-NRFANRHFSA-N 2 2 377.577 2.205 50 0 GEAALP CC(C)n1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cn1 ZINC000023360776 570356775 /nfs/dbraw/zinc/35/67/75/570356775.db2.gz ABBHBDOSNBVXDX-NRFANRHFSA-N 2 2 377.577 2.205 50 0 GEAALP CC(C)n1cc(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cn1 ZINC000023360776 570356776 /nfs/dbraw/zinc/35/67/76/570356776.db2.gz ABBHBDOSNBVXDX-NRFANRHFSA-N 2 2 377.577 2.205 50 0 GEAALP CC(C)n1cc(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cn1 ZINC000023360776 570356778 /nfs/dbraw/zinc/35/67/78/570356778.db2.gz ABBHBDOSNBVXDX-NRFANRHFSA-N 2 2 377.577 2.205 50 0 GEAALP Cc1c2cc(Cl)ccc2[nH]c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](O)C1 ZINC000023374985 570358186 /nfs/dbraw/zinc/35/81/86/570358186.db2.gz GVPJIBPOJYFWHI-WOJBJXKFSA-N 2 2 376.932 2.312 50 0 GEAALP Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](O)C1 ZINC000023374985 570358189 /nfs/dbraw/zinc/35/81/89/570358189.db2.gz GVPJIBPOJYFWHI-WOJBJXKFSA-N 2 2 376.932 2.312 50 0 GEAALP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCN(c4ncccc4F)CC3)c2cc1C ZINC000225525482 570584017 /nfs/dbraw/zinc/58/40/17/570584017.db2.gz WMHSTUYFGMUQDB-QGZVFWFLSA-N 2 2 383.471 2.370 50 0 GEAALP COc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1C ZINC000091860740 571033973 /nfs/dbraw/zinc/03/39/73/571033973.db2.gz MIABFXOTBFAHSE-KOUHRCEDSA-N 2 2 376.541 2.462 50 0 GEAALP COc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1C ZINC000091860740 571033976 /nfs/dbraw/zinc/03/39/76/571033976.db2.gz MIABFXOTBFAHSE-KOUHRCEDSA-N 2 2 376.541 2.462 50 0 GEAALP COc1cc(C)c(C[NH+]2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1C ZINC000091860740 571033980 /nfs/dbraw/zinc/03/39/80/571033980.db2.gz MIABFXOTBFAHSE-KOUHRCEDSA-N 2 2 376.541 2.462 50 0 GEAALP COc1cc(C)c(C[NH+]2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1C ZINC000091860740 571033984 /nfs/dbraw/zinc/03/39/84/571033984.db2.gz MIABFXOTBFAHSE-KOUHRCEDSA-N 2 2 376.541 2.462 50 0 GEAALP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(CC(C)(C)[NH+]1CCOCC1)C2 ZINC000095387514 571070744 /nfs/dbraw/zinc/07/07/44/571070744.db2.gz ZKLGQQPFRIMJEP-RBUKOAKNSA-N 2 2 376.545 2.298 50 0 GEAALP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(CC(C)(C)[NH+]1CCOCC1)C2 ZINC000095387514 571070746 /nfs/dbraw/zinc/07/07/46/571070746.db2.gz ZKLGQQPFRIMJEP-RBUKOAKNSA-N 2 2 376.545 2.298 50 0 GEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CCC(=O)c3ccc(F)cc3)C2)CC1 ZINC000012208087 221168293 /nfs/dbraw/zinc/16/82/93/221168293.db2.gz ONRUQDWDCVZYQL-GOSISDBHSA-N 2 2 375.488 2.463 50 0 GEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CCC(=O)c3ccc(F)cc3)C2)CC1 ZINC000012208087 221168295 /nfs/dbraw/zinc/16/82/95/221168295.db2.gz ONRUQDWDCVZYQL-GOSISDBHSA-N 2 2 375.488 2.463 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](C)Cc2ccon2)ccc1OC ZINC000015069379 221329810 /nfs/dbraw/zinc/32/98/10/221329810.db2.gz FWISNGRGYSMYLR-GOSISDBHSA-N 2 2 377.485 2.397 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+](C)Cc2ccon2)ccc1OC ZINC000015069379 221329812 /nfs/dbraw/zinc/32/98/12/221329812.db2.gz FWISNGRGYSMYLR-GOSISDBHSA-N 2 2 377.485 2.397 50 0 GEAALP Cc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cc[nH+]1 ZINC000071639450 136165825 /nfs/dbraw/zinc/16/58/25/136165825.db2.gz ZXMATLHLZGZMAI-GOSISDBHSA-N 2 2 394.523 2.177 50 0 GEAALP Cc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cc[nH+]1 ZINC000071639450 136165826 /nfs/dbraw/zinc/16/58/26/136165826.db2.gz ZXMATLHLZGZMAI-GOSISDBHSA-N 2 2 394.523 2.177 50 0 GEAALP CCN(CCOC)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071748094 222189240 /nfs/dbraw/zinc/18/92/40/222189240.db2.gz BGDBTKNTUQXALU-FQEVSTJZSA-N 2 2 388.556 2.253 50 0 GEAALP CCN(CCOC)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071748094 222189241 /nfs/dbraw/zinc/18/92/41/222189241.db2.gz BGDBTKNTUQXALU-FQEVSTJZSA-N 2 2 388.556 2.253 50 0 GEAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CCCOCC1 ZINC000071749590 222189819 /nfs/dbraw/zinc/18/98/19/222189819.db2.gz SGZASPQRHHVLAY-FQEVSTJZSA-N 2 2 386.540 2.007 50 0 GEAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CCCOCC1 ZINC000071749590 222189824 /nfs/dbraw/zinc/18/98/24/222189824.db2.gz SGZASPQRHHVLAY-FQEVSTJZSA-N 2 2 386.540 2.007 50 0 GEAALP Cc1nc(C)c(C(=O)N2CCN(c3cc(-n4cc[nH+]c4C)nc[nH+]3)CC2)s1 ZINC000067604963 222148932 /nfs/dbraw/zinc/14/89/32/222148932.db2.gz CITDRGHEWLKXSK-UHFFFAOYSA-N 2 2 383.481 2.006 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000067643439 222151580 /nfs/dbraw/zinc/15/15/80/222151580.db2.gz YROBQDGMBJEYGS-IBGZPJMESA-N 2 2 389.540 2.134 50 0 GEAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000067643439 222151582 /nfs/dbraw/zinc/15/15/82/222151582.db2.gz YROBQDGMBJEYGS-IBGZPJMESA-N 2 2 389.540 2.134 50 0 GEAALP CCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)nc1 ZINC000067642715 222152876 /nfs/dbraw/zinc/15/28/76/222152876.db2.gz TUCMASXXCIWBFE-IBGZPJMESA-N 2 2 388.556 2.083 50 0 GEAALP CCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)nc1 ZINC000067642715 222152880 /nfs/dbraw/zinc/15/28/80/222152880.db2.gz TUCMASXXCIWBFE-IBGZPJMESA-N 2 2 388.556 2.083 50 0 GEAALP CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)cnn2c1 ZINC000067713739 222155470 /nfs/dbraw/zinc/15/54/70/222155470.db2.gz KWEFANOIDSNFLT-QGZVFWFLSA-N 2 2 395.511 2.320 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000067867473 222163455 /nfs/dbraw/zinc/16/34/55/222163455.db2.gz PCNKIROFRJXIEO-GOSISDBHSA-N 2 2 377.504 2.265 50 0 GEAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000067867473 222163460 /nfs/dbraw/zinc/16/34/60/222163460.db2.gz PCNKIROFRJXIEO-GOSISDBHSA-N 2 2 377.504 2.265 50 0 GEAALP Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)o1 ZINC000067981778 222171922 /nfs/dbraw/zinc/17/19/22/222171922.db2.gz YQFXXNSEXALBTN-SFHVURJKSA-N 2 2 375.513 2.123 50 0 GEAALP Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)o1 ZINC000067981778 222171926 /nfs/dbraw/zinc/17/19/26/222171926.db2.gz YQFXXNSEXALBTN-SFHVURJKSA-N 2 2 375.513 2.123 50 0 GEAALP CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095498252 222331630 /nfs/dbraw/zinc/33/16/30/222331630.db2.gz NHNZHIFNQJOPKO-QGZVFWFLSA-N 2 2 378.480 2.492 50 0 GEAALP COc1cc(C[N@H+](C)CC2CCCC2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095498578 222332630 /nfs/dbraw/zinc/33/26/30/222332630.db2.gz BJLZYHQFZYKWFT-HXUWFJFHSA-N 2 2 392.540 2.389 50 0 GEAALP COc1cc(C[N@@H+](C)CC2CCCC2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000095498578 222332633 /nfs/dbraw/zinc/33/26/33/222332633.db2.gz BJLZYHQFZYKWFT-HXUWFJFHSA-N 2 2 392.540 2.389 50 0 GEAALP COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC000095504512 222336688 /nfs/dbraw/zinc/33/66/88/222336688.db2.gz CQPMKLAGFFUQRO-GOSISDBHSA-N 2 2 396.535 2.307 50 0 GEAALP COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC000095504512 222336692 /nfs/dbraw/zinc/33/66/92/222336692.db2.gz CQPMKLAGFFUQRO-GOSISDBHSA-N 2 2 396.535 2.307 50 0 GEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccn(C(F)F)n2)C1 ZINC000095507794 222340492 /nfs/dbraw/zinc/34/04/92/222340492.db2.gz SGILIHDYDMNZTC-AWEZNQCLSA-N 2 2 380.443 2.446 50 0 GEAALP COc1ccccc1C(=O)NCCNc1cc(-n2c[nH+]c(C)c2C)nc(C)[nH+]1 ZINC000077134197 222274200 /nfs/dbraw/zinc/27/42/00/222274200.db2.gz PTQINEYOVPTWNO-UHFFFAOYSA-N 2 2 380.452 2.438 50 0 GEAALP CC(C)C[N@@H+]1CCN(C(=O)c2ccc(-c3cccc(N)[nH+]3)cc2)C[C@H]1CCO ZINC000426668951 528000579 /nfs/dbraw/zinc/00/05/79/528000579.db2.gz FVSHQYXZWGUIBG-LJQANCHMSA-N 2 2 382.508 2.496 50 0 GEAALP CC(C)C[N@H+]1CCN(C(=O)c2ccc(-c3cccc(N)[nH+]3)cc2)C[C@H]1CCO ZINC000426668951 528000587 /nfs/dbraw/zinc/00/05/87/528000587.db2.gz FVSHQYXZWGUIBG-LJQANCHMSA-N 2 2 382.508 2.496 50 0 GEAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]C3CCCC3)cc2OC)CC1 ZINC000019218595 570962413 /nfs/dbraw/zinc/96/24/13/570962413.db2.gz IZNFXKJTBFZOJS-FQEVSTJZSA-N 2 2 391.556 2.105 50 0 GEAALP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000084519385 571020605 /nfs/dbraw/zinc/02/06/05/571020605.db2.gz JYNHXNAJQVOZLA-VQTJNVASSA-N 2 2 389.565 2.146 50 0 GEAALP C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(-c3[nH]cc[nH+]3)c1)CC2 ZINC000091871762 571034336 /nfs/dbraw/zinc/03/43/36/571034336.db2.gz SLURKEAVSDDRJH-UHFFFAOYSA-N 2 2 376.464 2.419 50 0 GEAALP C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(-c3[nH]cc[nH+]3)c1)CC2 ZINC000091871762 571034339 /nfs/dbraw/zinc/03/43/39/571034339.db2.gz SLURKEAVSDDRJH-UHFFFAOYSA-N 2 2 376.464 2.419 50 0 GEAALP Nc1cc[nH+]cc1-c1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000426518370 231233994 /nfs/dbraw/zinc/23/39/94/231233994.db2.gz SJDYZKGSCOQINP-IBGZPJMESA-N 2 2 380.492 2.488 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](C)Cc2nc(C)c[nH]2)ccc1OC ZINC000011664807 221119743 /nfs/dbraw/zinc/11/97/43/221119743.db2.gz ZASJFKMHUSOSKV-GOSISDBHSA-N 2 2 390.528 2.440 50 0 GEAALP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+](C)Cc2nc(C)c[nH]2)ccc1OC ZINC000011664807 221119748 /nfs/dbraw/zinc/11/97/48/221119748.db2.gz ZASJFKMHUSOSKV-GOSISDBHSA-N 2 2 390.528 2.440 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@H+](C)Cc2nc(C)c[nH]2)cc1OC ZINC000012434123 221194208 /nfs/dbraw/zinc/19/42/08/221194208.db2.gz JDKGKIPRRAZKHM-SFHVURJKSA-N 2 2 390.528 2.440 50 0 GEAALP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@@H+](C)Cc2nc(C)c[nH]2)cc1OC ZINC000012434123 221194210 /nfs/dbraw/zinc/19/42/10/221194210.db2.gz JDKGKIPRRAZKHM-SFHVURJKSA-N 2 2 390.528 2.440 50 0 GEAALP COc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000012718016 221220395 /nfs/dbraw/zinc/22/03/95/221220395.db2.gz AVDGQMVRHMEWGS-PDFOZTTASA-N 2 2 387.524 2.392 50 0 GEAALP COc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000012718016 221220398 /nfs/dbraw/zinc/22/03/98/221220398.db2.gz AVDGQMVRHMEWGS-PDFOZTTASA-N 2 2 387.524 2.392 50 0 GEAALP COc1ccc(C[N@H+](C)Cc2ccon2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000015068882 221329778 /nfs/dbraw/zinc/32/97/78/221329778.db2.gz VGOUNITTXJJXCP-GOSISDBHSA-N 2 2 377.485 2.395 50 0 GEAALP COc1ccc(C[N@@H+](C)Cc2ccon2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000015068882 221329779 /nfs/dbraw/zinc/32/97/79/221329779.db2.gz VGOUNITTXJJXCP-GOSISDBHSA-N 2 2 377.485 2.395 50 0 GEAALP COc1ccc(C[NH+](C)Cc2ccon2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000015068882 221329783 /nfs/dbraw/zinc/32/97/83/221329783.db2.gz VGOUNITTXJJXCP-GOSISDBHSA-N 2 2 377.485 2.395 50 0 GEAALP COc1ccc(C[NH+](C)Cc2ccon2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000015068882 221329785 /nfs/dbraw/zinc/32/97/85/221329785.db2.gz VGOUNITTXJJXCP-GOSISDBHSA-N 2 2 377.485 2.395 50 0 GEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)c3cccc(Cn4cccn4)c3)C2)CC1 ZINC000015075598 221330988 /nfs/dbraw/zinc/33/09/88/221330988.db2.gz OSRYNDLBGPUOPL-FQEVSTJZSA-N 2 2 381.524 2.220 50 0 GEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)c3cccc(Cn4cccn4)c3)C2)CC1 ZINC000015075598 221330991 /nfs/dbraw/zinc/33/09/91/221330991.db2.gz OSRYNDLBGPUOPL-FQEVSTJZSA-N 2 2 381.524 2.220 50 0 GEAALP Cc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)nc[nH+]1 ZINC000082157080 136174176 /nfs/dbraw/zinc/17/41/76/136174176.db2.gz UFFFKKOHLPZQLG-GOSISDBHSA-N 2 2 394.523 2.177 50 0 GEAALP Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)nc[nH+]1 ZINC000082157080 136174177 /nfs/dbraw/zinc/17/41/77/136174177.db2.gz UFFFKKOHLPZQLG-GOSISDBHSA-N 2 2 394.523 2.177 50 0 GEAALP Cc1[nH+]ccn1Cc1nnc(C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)n1C ZINC000096138052 136184340 /nfs/dbraw/zinc/18/43/40/136184340.db2.gz OXTYLPRBEYBMCJ-UHFFFAOYSA-N 2 2 377.456 2.024 50 0 GEAALP CCc1cc(N2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)nc(C)[nH+]1 ZINC000106983993 136191672 /nfs/dbraw/zinc/19/16/72/136191672.db2.gz YVECIPRODPDYEG-FQEVSTJZSA-N 2 2 375.561 2.093 50 0 GEAALP CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000058441185 222054515 /nfs/dbraw/zinc/05/45/15/222054515.db2.gz WBTFWQUUBCFYDB-PXNSSMCTSA-N 2 2 387.524 2.041 50 0 GEAALP CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000058441185 222054519 /nfs/dbraw/zinc/05/45/19/222054519.db2.gz WBTFWQUUBCFYDB-PXNSSMCTSA-N 2 2 387.524 2.041 50 0 GEAALP Cn1nnnc1SCC[NH2+]Cc1cccc(-c2cc(N3CCCC3)cn[nH+]2)c1 ZINC000063885234 222068656 /nfs/dbraw/zinc/06/86/56/222068656.db2.gz CSUPZEYECPRAJF-UHFFFAOYSA-N 2 2 396.524 2.149 50 0 GEAALP COCCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071749458 222189130 /nfs/dbraw/zinc/18/91/30/222189130.db2.gz FUVNKKDDCLCXAP-FQEVSTJZSA-N 2 2 388.556 2.253 50 0 GEAALP COCCCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071749458 222189133 /nfs/dbraw/zinc/18/91/33/222189133.db2.gz FUVNKKDDCLCXAP-FQEVSTJZSA-N 2 2 388.556 2.253 50 0 GEAALP COC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071479591 222186323 /nfs/dbraw/zinc/18/63/23/222186323.db2.gz DJEGMQALYFGNHY-LJQANCHMSA-N 2 2 388.556 2.299 50 0 GEAALP COC(C)(C)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071479591 222186324 /nfs/dbraw/zinc/18/63/24/222186324.db2.gz DJEGMQALYFGNHY-LJQANCHMSA-N 2 2 388.556 2.299 50 0 GEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)on1 ZINC000071708072 222187328 /nfs/dbraw/zinc/18/73/28/222187328.db2.gz DKCIBQFMJIONPB-IBGZPJMESA-N 2 2 397.523 2.371 50 0 GEAALP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)on1 ZINC000071708072 222187329 /nfs/dbraw/zinc/18/73/29/222187329.db2.gz DKCIBQFMJIONPB-IBGZPJMESA-N 2 2 397.523 2.371 50 0 GEAALP O=C(NCc1ccon1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071707996 222187666 /nfs/dbraw/zinc/18/76/66/222187666.db2.gz XNKHATNAZJOFMT-GOSISDBHSA-N 2 2 383.496 2.062 50 0 GEAALP O=C(NCc1ccon1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071707996 222187670 /nfs/dbraw/zinc/18/76/70/222187670.db2.gz XNKHATNAZJOFMT-GOSISDBHSA-N 2 2 383.496 2.062 50 0 GEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)no1 ZINC000071752556 222192177 /nfs/dbraw/zinc/19/21/77/222192177.db2.gz JXCLNBAIFBTOSB-LJQANCHMSA-N 2 2 397.523 2.371 50 0 GEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)no1 ZINC000071752556 222192179 /nfs/dbraw/zinc/19/21/79/222192179.db2.gz JXCLNBAIFBTOSB-LJQANCHMSA-N 2 2 397.523 2.371 50 0 GEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)on1 ZINC000071752830 222192383 /nfs/dbraw/zinc/19/23/83/222192383.db2.gz HJLZHCCFCVDNOO-LJQANCHMSA-N 2 2 397.523 2.371 50 0 GEAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)on1 ZINC000071752830 222192386 /nfs/dbraw/zinc/19/23/86/222192386.db2.gz HJLZHCCFCVDNOO-LJQANCHMSA-N 2 2 397.523 2.371 50 0 GEAALP CN(Cc1ccon1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071759854 222194808 /nfs/dbraw/zinc/19/48/08/222194808.db2.gz IKKSOSVSTSVMBB-LJQANCHMSA-N 2 2 397.523 2.405 50 0 GEAALP CN(Cc1ccon1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071759854 222194814 /nfs/dbraw/zinc/19/48/14/222194814.db2.gz IKKSOSVSTSVMBB-LJQANCHMSA-N 2 2 397.523 2.405 50 0 GEAALP COc1cc(C[N@@H+](C)Cc2cc(C)on2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095519607 222345630 /nfs/dbraw/zinc/34/56/30/222345630.db2.gz NXSDQKWHGAAYCV-LJQANCHMSA-N 2 2 389.496 2.459 50 0 GEAALP COc1cc(C[N@H+](C)Cc2cc(C)on2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095519607 222345624 /nfs/dbraw/zinc/34/56/24/222345624.db2.gz NXSDQKWHGAAYCV-LJQANCHMSA-N 2 2 389.496 2.459 50 0 GEAALP O=C(CC[C@H]1CCC[N@H+](Cc2ncon2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095497520 222332498 /nfs/dbraw/zinc/33/24/98/222332498.db2.gz CSMHFOPLETUFQI-HXUWFJFHSA-N 2 2 397.523 2.406 50 0 GEAALP O=C(CC[C@H]1CCC[N@@H+](Cc2ncon2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095497520 222332502 /nfs/dbraw/zinc/33/25/02/222332502.db2.gz CSMHFOPLETUFQI-HXUWFJFHSA-N 2 2 397.523 2.406 50 0 GEAALP CCCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([N@H+](C)Cc1ccco1)C2 ZINC000019799219 570220172 /nfs/dbraw/zinc/22/01/72/570220172.db2.gz YMOSIQVSGHIDAB-QGZVFWFLSA-N 2 2 399.539 2.263 50 0 GEAALP CCCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccco1)C2 ZINC000019799219 570220174 /nfs/dbraw/zinc/22/01/74/570220174.db2.gz YMOSIQVSGHIDAB-QGZVFWFLSA-N 2 2 399.539 2.263 50 0 GEAALP Cc1[nH+]ccn1[C@@H]1c2ccccc2C2(CCN(c3cc[nH+]c(N)n3)CC2)[C@H]1O ZINC000023619362 570366758 /nfs/dbraw/zinc/36/67/58/570366758.db2.gz KLSSIRPTQORYPR-MOPGFXCFSA-N 2 2 376.464 2.066 50 0 GEAALP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000004746160 570401620 /nfs/dbraw/zinc/40/16/20/570401620.db2.gz JBWHRAYEOHUJDU-MRXNPFEDSA-N 2 2 380.330 2.435 50 0 GEAALP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000004746160 570401622 /nfs/dbraw/zinc/40/16/22/570401622.db2.gz JBWHRAYEOHUJDU-MRXNPFEDSA-N 2 2 380.330 2.435 50 0 GEAALP Cc1[nH+]ccn1-c1cc(NCCNS(=O)(=O)c2ccccc2Cl)[nH+]cn1 ZINC000035598110 570555156 /nfs/dbraw/zinc/55/51/56/570555156.db2.gz KAZAFOKRTWPYHX-UHFFFAOYSA-N 2 2 392.872 2.015 50 0 GEAALP c1cnn(CCC[NH2+]Cc2cccnc2N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000012479000 570674161 /nfs/dbraw/zinc/67/41/61/570674161.db2.gz XZBLRKBEEUENGD-UHFFFAOYSA-N 2 2 377.496 2.180 50 0 GEAALP CC(C)[C@@H]1CN(Cc2cccc(OCC[NH+]3CCOCC3)c2)C[C@H]1[NH+](C)C ZINC000091326079 571003515 /nfs/dbraw/zinc/00/35/15/571003515.db2.gz FADNPZTYSMRDJI-FCHUYYIVSA-N 2 2 375.557 2.416 50 0 GEAALP OC[C@@H]1C[C@H](C[NH+]2CCOCC2)C[N@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000091350812 571004111 /nfs/dbraw/zinc/00/41/11/571004111.db2.gz QWDNKOLMOFUECG-QZTJIDSGSA-N 2 2 376.545 2.220 50 0 GEAALP OC[C@@H]1C[C@H](C[NH+]2CCOCC2)C[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000091350812 571004113 /nfs/dbraw/zinc/00/41/13/571004113.db2.gz QWDNKOLMOFUECG-QZTJIDSGSA-N 2 2 376.545 2.220 50 0 GEAALP C[NH+](C)Cc1csc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1 ZINC000091350751 571004218 /nfs/dbraw/zinc/00/42/18/571004218.db2.gz WIRTVWXRFNVZLT-HXUWFJFHSA-N 3 2 381.586 2.105 50 0 GEAALP C[NH+](C)Cc1csc(C[N@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1 ZINC000091350751 571004220 /nfs/dbraw/zinc/00/42/20/571004220.db2.gz WIRTVWXRFNVZLT-HXUWFJFHSA-N 3 2 381.586 2.105 50 0 GEAALP CCn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)c(C)n1 ZINC000091644988 571021916 /nfs/dbraw/zinc/02/19/16/571021916.db2.gz MHRXQUBEYIPVLQ-NRFANRHFSA-N 2 2 384.528 2.382 50 0 GEAALP CCn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)c(C)n1 ZINC000091644988 571021919 /nfs/dbraw/zinc/02/19/19/571021919.db2.gz MHRXQUBEYIPVLQ-NRFANRHFSA-N 2 2 384.528 2.382 50 0 GEAALP CCn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)c(C)n1 ZINC000091644988 571021922 /nfs/dbraw/zinc/02/19/22/571021922.db2.gz MHRXQUBEYIPVLQ-NRFANRHFSA-N 2 2 384.528 2.382 50 0 GEAALP CCn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)c(C)n1 ZINC000091644988 571021924 /nfs/dbraw/zinc/02/19/24/571021924.db2.gz MHRXQUBEYIPVLQ-NRFANRHFSA-N 2 2 384.528 2.382 50 0 GEAALP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3OC(F)F)C[C@H]2CCCO)CC1 ZINC000095387008 571070833 /nfs/dbraw/zinc/07/08/33/571070833.db2.gz NUZHMRCQTVWINL-MJGOQNOKSA-N 2 2 397.510 2.498 50 0 GEAALP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3OC(F)F)C[C@H]2CCCO)CC1 ZINC000095387008 571070835 /nfs/dbraw/zinc/07/08/35/571070835.db2.gz NUZHMRCQTVWINL-MJGOQNOKSA-N 2 2 397.510 2.498 50 0 GEAALP COc1cccc(C[NH+]2CCCCCC2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000095509401 571080672 /nfs/dbraw/zinc/08/06/72/571080672.db2.gz MCHWMCSMJKQSEH-IBGZPJMESA-N 2 2 378.513 2.143 50 0 GEAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cn(C)nc2-c2ccncc2)nc[nH+]1 ZINC000109070477 212097941 /nfs/dbraw/zinc/09/79/41/212097941.db2.gz OPJRORMNCSQWSX-QGZVFWFLSA-N 2 2 378.484 2.072 50 0 GEAALP COc1cc(C[N@H+](C)Cc2cc[nH]n2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000011662749 221118448 /nfs/dbraw/zinc/11/84/48/221118448.db2.gz LIZLCRBPSHBOEU-GOSISDBHSA-N 2 2 376.501 2.130 50 0 GEAALP COc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000011662749 221118451 /nfs/dbraw/zinc/11/84/51/221118451.db2.gz LIZLCRBPSHBOEU-GOSISDBHSA-N 2 2 376.501 2.130 50 0 GEAALP COc1cc(C[NH+](C)Cc2cc[nH]n2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011662749 221118453 /nfs/dbraw/zinc/11/84/53/221118453.db2.gz LIZLCRBPSHBOEU-GOSISDBHSA-N 2 2 376.501 2.130 50 0 GEAALP COc1cc(C[NH+](C)Cc2cc[nH]n2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011662749 221118456 /nfs/dbraw/zinc/11/84/56/221118456.db2.gz LIZLCRBPSHBOEU-GOSISDBHSA-N 2 2 376.501 2.130 50 0 GEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)c3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000015068317 221328986 /nfs/dbraw/zinc/32/89/86/221328986.db2.gz SUKXXCUMGQJADE-FQEVSTJZSA-N 2 2 381.524 2.220 50 0 GEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)c3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000015068317 221328988 /nfs/dbraw/zinc/32/89/88/221328988.db2.gz SUKXXCUMGQJADE-FQEVSTJZSA-N 2 2 381.524 2.220 50 0 GEAALP CN(CC[NH+](C)C)C(=O)c1cccc(OC2CC[NH+](Cc3cc[nH]n3)CC2)c1 ZINC000015071268 221330570 /nfs/dbraw/zinc/33/05/70/221330570.db2.gz LUIKRUAQWRYHNN-UHFFFAOYSA-N 2 2 385.512 2.087 50 0 GEAALP CC(C)c1[nH+]ccn1Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]n1 ZINC000019144996 221399686 /nfs/dbraw/zinc/39/96/86/221399686.db2.gz MDIJLTKOHHARBY-UHFFFAOYSA-N 2 2 379.468 2.135 50 0 GEAALP CCOc1ccc(C[N@@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]2CCO)cc1 ZINC000106956012 136201633 /nfs/dbraw/zinc/20/16/33/136201633.db2.gz SJVKUZUHWBUKEB-QGZVFWFLSA-N 2 2 381.480 2.430 50 0 GEAALP CCOc1ccc(C[N@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]2CCO)cc1 ZINC000106956012 136201634 /nfs/dbraw/zinc/20/16/34/136201634.db2.gz SJVKUZUHWBUKEB-QGZVFWFLSA-N 2 2 381.480 2.430 50 0 GEAALP CC(C)[NH+]1CCC([N@@H+]2CCN(c3ncnc4ccsc43)C[C@H]2CCO)CC1 ZINC000106992762 136201761 /nfs/dbraw/zinc/20/17/61/136201761.db2.gz IMUGGYMOOUOMNJ-QGZVFWFLSA-N 2 2 389.569 2.437 50 0 GEAALP CC(C)[NH+]1CCC([N@H+]2CCN(c3ncnc4ccsc43)C[C@H]2CCO)CC1 ZINC000106992762 136201762 /nfs/dbraw/zinc/20/17/62/136201762.db2.gz IMUGGYMOOUOMNJ-QGZVFWFLSA-N 2 2 389.569 2.437 50 0 GEAALP C[N@H+](CCOc1ccccc1)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000049581332 222000877 /nfs/dbraw/zinc/00/08/77/222000877.db2.gz IVETYGXZUIYPGD-UHFFFAOYSA-N 2 2 397.519 2.146 50 0 GEAALP C[N@@H+](CCOc1ccccc1)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000049581332 222000884 /nfs/dbraw/zinc/00/08/84/222000884.db2.gz IVETYGXZUIYPGD-UHFFFAOYSA-N 2 2 397.519 2.146 50 0 GEAALP COc1cccc(C[NH2+]Cc2n[nH]c(=O)c3ccccc23)c1OCC[NH+](C)C ZINC000055119053 222016945 /nfs/dbraw/zinc/01/69/45/222016945.db2.gz PITLHRCTNUMRBV-UHFFFAOYSA-N 2 2 382.464 2.162 50 0 GEAALP Cn1c(C(=O)NCCC[NH+]2CCOCC2)cc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000065210826 222111022 /nfs/dbraw/zinc/11/10/22/222111022.db2.gz XSVJIMVMKMAHKG-UHFFFAOYSA-N 2 2 396.535 2.036 50 0 GEAALP Cn1c(C(=O)NCCC[NH+]2CCOCC2)cc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000065210826 222111026 /nfs/dbraw/zinc/11/10/26/222111026.db2.gz XSVJIMVMKMAHKG-UHFFFAOYSA-N 2 2 396.535 2.036 50 0 GEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1cc(-c3ccc(O)cc3)n[nH]1)CCC[N@@H+]2C ZINC000067541010 222148224 /nfs/dbraw/zinc/14/82/24/222148224.db2.gz KDNNOONALLOQCX-UHFFFAOYSA-N 2 2 383.496 2.024 50 0 GEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1cc(-c3ccc(O)cc3)n[nH]1)CCC[N@H+]2C ZINC000067541010 222148228 /nfs/dbraw/zinc/14/82/28/222148228.db2.gz KDNNOONALLOQCX-UHFFFAOYSA-N 2 2 383.496 2.024 50 0 GEAALP O=C(NC1CCOCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071419110 222184143 /nfs/dbraw/zinc/18/41/43/222184143.db2.gz IJDBNGMKTUNFEJ-LJQANCHMSA-N 2 2 386.540 2.053 50 0 GEAALP O=C(NC1CCOCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000071419110 222184145 /nfs/dbraw/zinc/18/41/45/222184145.db2.gz IJDBNGMKTUNFEJ-LJQANCHMSA-N 2 2 386.540 2.053 50 0 GEAALP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@H+](C)Cc3ccoc3)c2)CC1 ZINC000095504854 222338165 /nfs/dbraw/zinc/33/81/65/222338165.db2.gz CUQNBHYKKKBYEM-NRFANRHFSA-N 2 2 387.524 2.289 50 0 GEAALP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@@H+](C)Cc3ccoc3)c2)CC1 ZINC000095504854 222338172 /nfs/dbraw/zinc/33/81/72/222338172.db2.gz CUQNBHYKKKBYEM-NRFANRHFSA-N 2 2 387.524 2.289 50 0 GEAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)Cc3ccoc3)c2)CC1 ZINC000095504854 222338179 /nfs/dbraw/zinc/33/81/79/222338179.db2.gz CUQNBHYKKKBYEM-NRFANRHFSA-N 2 2 387.524 2.289 50 0 GEAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)Cc3ccoc3)c2)CC1 ZINC000095504854 222338186 /nfs/dbraw/zinc/33/81/86/222338186.db2.gz CUQNBHYKKKBYEM-NRFANRHFSA-N 2 2 387.524 2.289 50 0 GEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000095505092 222338752 /nfs/dbraw/zinc/33/87/52/222338752.db2.gz RMGFCDJLCPRGSB-IBGZPJMESA-N 3 2 375.561 2.417 50 0 GEAALP C[C@H](c1ccc(C[N@@H+]2CCn3nc(CNC(=O)N(C)C)cc3C2)cc1)[NH+](C)C ZINC000082138429 222310065 /nfs/dbraw/zinc/31/00/65/222310065.db2.gz VEOHHCOJVLYBJE-MRXNPFEDSA-N 2 2 384.528 2.293 50 0 GEAALP C[C@H](c1ccc(C[N@H+]2CCn3nc(CNC(=O)N(C)C)cc3C2)cc1)[NH+](C)C ZINC000082138429 222310067 /nfs/dbraw/zinc/31/00/67/222310067.db2.gz VEOHHCOJVLYBJE-MRXNPFEDSA-N 2 2 384.528 2.293 50 0 GEAALP CC[NH+](CC)CC[NH2+][C@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 ZINC000096405064 570229232 /nfs/dbraw/zinc/22/92/32/570229232.db2.gz WFYIAUBSTOOQHE-IBGZPJMESA-N 2 2 397.567 2.181 50 0 GEAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3nc4ccccc4n3C)C[C@H]2CCO)CC1 ZINC000104634431 570255212 /nfs/dbraw/zinc/25/52/12/570255212.db2.gz JXEUCECBRHTQIY-HXUWFJFHSA-N 2 2 399.583 2.315 50 0 GEAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3nc4ccccc4n3C)C[C@H]2CCO)CC1 ZINC000104634431 570255216 /nfs/dbraw/zinc/25/52/16/570255216.db2.gz JXEUCECBRHTQIY-HXUWFJFHSA-N 2 2 399.583 2.315 50 0 GEAALP COCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000034906731 570339465 /nfs/dbraw/zinc/33/94/65/570339465.db2.gz UTDCBICXGZDRCP-UHFFFAOYSA-N 2 2 399.539 2.111 50 0 GEAALP CC(C)n1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cn1 ZINC000039500432 570592888 /nfs/dbraw/zinc/59/28/88/570592888.db2.gz ABBHBDOSNBVXDX-OAQYLSRUSA-N 2 2 377.577 2.205 50 0 GEAALP CC(C)n1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cn1 ZINC000039500432 570592890 /nfs/dbraw/zinc/59/28/90/570592890.db2.gz ABBHBDOSNBVXDX-OAQYLSRUSA-N 2 2 377.577 2.205 50 0 GEAALP CC(C)n1cc(CN2CC[N@@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cn1 ZINC000039500432 570592892 /nfs/dbraw/zinc/59/28/92/570592892.db2.gz ABBHBDOSNBVXDX-OAQYLSRUSA-N 2 2 377.577 2.205 50 0 GEAALP CC(C)n1cc(CN2CC[N@H+](C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cn1 ZINC000039500432 570592894 /nfs/dbraw/zinc/59/28/94/570592894.db2.gz ABBHBDOSNBVXDX-OAQYLSRUSA-N 2 2 377.577 2.205 50 0 GEAALP c1ccc(-n2nnnc2Oc2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2)cc1 ZINC000040719383 570604327 /nfs/dbraw/zinc/60/43/27/570604327.db2.gz ZICSYAMVCCUQSY-UHFFFAOYSA-N 2 2 394.479 2.267 50 0 GEAALP C[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000241124163 570685964 /nfs/dbraw/zinc/68/59/64/570685964.db2.gz JGALRWMSKAQAMQ-UEXGIBASSA-N 2 2 388.531 2.421 50 0 GEAALP C[N@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]CC(C)(C)CN2CCOCC2)C[C@H]1CO ZINC000019218014 570962407 /nfs/dbraw/zinc/96/24/07/570962407.db2.gz QZVPJHPXHCLRTJ-LVCYWYKZSA-N 2 2 393.547 2.127 50 0 GEAALP C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]CC(C)(C)CN2CCOCC2)C[C@H]1CO ZINC000019218014 570962408 /nfs/dbraw/zinc/96/24/08/570962408.db2.gz QZVPJHPXHCLRTJ-LVCYWYKZSA-N 2 2 393.547 2.127 50 0 GEAALP