smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(N2CCN(CCC(=O)N3C[C@@H]4CCC[NH2+][C@@H]4C3)CC2)c1 ZINC000095380970 132209459 /nfs/dbraw/zinc/20/94/59/132209459.db2.gz FZKSPLLZROOMLQ-AZUAARDMSA-N 1 3 356.514 1.718 50 0 FDAAHO Cc1nc([C@H]2CCC[NH2+]C2)cc(N2C[C@@]3(C)CN(C)C[C@@](C)(C2)C3O)n1 ZINC000216326249 132271104 /nfs/dbraw/zinc/27/11/04/132271104.db2.gz DDSMAKDNDNFUCB-FAXKSRBJSA-N 1 3 359.518 1.391 50 0 FDAAHO CN1CCC2(CC1)C(=O)N(CCC[NH+](C)C)C(=O)N2CCc1ccccc1 ZINC000014732706 518696911 /nfs/dbraw/zinc/69/69/11/518696911.db2.gz AGKOPWLJYVMDML-UHFFFAOYSA-N 1 3 372.513 1.909 50 0 FDAAHO Cc1nn(CCNC(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)c(C)c1Cl ZINC000072418840 522247428 /nfs/dbraw/zinc/24/74/28/522247428.db2.gz ZYDQVSUNACIIGZ-CQSZACIVSA-N 1 3 353.898 1.343 50 0 FDAAHO Cc1nccn1CCC1CC[NH+]([C@H]2CN(C3CCOCC3)C[C@@H]2O)CC1 ZINC000072426471 522262181 /nfs/dbraw/zinc/26/21/81/522262181.db2.gz NNBJUQYQVPZENK-PMACEKPBSA-N 1 3 362.518 1.518 50 0 FDAAHO Cc1ccc2[nH]c(CNC(=O)[C@@H]3CC4(CN3C)CC[NH2+]CC4)nc2c1C ZINC000072432533 522269991 /nfs/dbraw/zinc/26/99/91/522269991.db2.gz VXPDGUDKGYWNMD-INIZCTEOSA-N 1 3 355.486 1.870 50 0 FDAAHO Cc1ccc2nc(CNC(=O)[C@@H]3CC4(CN3C)CC[NH2+]CC4)[nH]c2c1C ZINC000072432533 522270000 /nfs/dbraw/zinc/27/00/00/522270000.db2.gz VXPDGUDKGYWNMD-INIZCTEOSA-N 1 3 355.486 1.870 50 0 FDAAHO COc1ccc2[nH]c(CNC(=O)[C@H]3CC4(CN3C)CC[NH2+]CC4)nc2c1 ZINC000072435950 522274417 /nfs/dbraw/zinc/27/44/17/522274417.db2.gz HOHLZPGUCKLOFK-MRXNPFEDSA-N 1 3 357.458 1.262 50 0 FDAAHO COc1ccc2nc(CNC(=O)[C@H]3CC4(CN3C)CC[NH2+]CC4)[nH]c2c1 ZINC000072435950 522274425 /nfs/dbraw/zinc/27/44/25/522274425.db2.gz HOHLZPGUCKLOFK-MRXNPFEDSA-N 1 3 357.458 1.262 50 0 FDAAHO COCC[N@@H+]1CC[C@@H](CNc2nc(-c3ccccn3)nc3c2CCNC3)C1 ZINC000091950539 524817194 /nfs/dbraw/zinc/81/71/94/524817194.db2.gz WKBCKAVUJMJGOW-HNNXBMFYSA-N 1 3 368.485 1.565 50 0 FDAAHO COCC[N@H+]1CC[C@@H](CNc2nc(-c3ccccn3)nc3c2CCNC3)C1 ZINC000091950539 524817203 /nfs/dbraw/zinc/81/72/03/524817203.db2.gz WKBCKAVUJMJGOW-HNNXBMFYSA-N 1 3 368.485 1.565 50 0 FDAAHO COc1ccc(C(=O)N2C[C@@]3(C)CN(C)C[C@@](C)(C2)C3)c(OCC[NH3+])c1 ZINC000426566790 538424691 /nfs/dbraw/zinc/42/46/91/538424691.db2.gz CDOJDMFGLHXDJQ-BGYRXZFFSA-N 1 3 361.486 1.837 50 0 FDAAHO O=C(c1cn(CC[C@@H]2CCCC[NH2+]2)nn1)N1CCN(c2ccncc2)CC1 ZINC000077358778 132182734 /nfs/dbraw/zinc/18/27/34/132182734.db2.gz VVUFIRMQQNJFBY-INIZCTEOSA-N 1 3 369.473 1.168 50 0 FDAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CNC(C)(C)CO)cc1OC ZINC000015080783 518709539 /nfs/dbraw/zinc/70/95/39/518709539.db2.gz ISSVXGYMMLTNQU-INIZCTEOSA-N 1 3 354.491 1.637 50 0 FDAAHO Cc1cc(C)c(C[N@@H+]2CCOC[C@@H](CO)C2)cc1CN1CCN(C)CC1 ZINC000077322243 523297398 /nfs/dbraw/zinc/29/73/98/523297398.db2.gz LBTWMYOKDZXDIE-LJQANCHMSA-N 1 3 361.530 1.492 50 0 FDAAHO Cc1cc(C)c(C[N@H+]2CCOC[C@@H](CO)C2)cc1CN1CCN(C)CC1 ZINC000077322243 523297400 /nfs/dbraw/zinc/29/74/00/523297400.db2.gz LBTWMYOKDZXDIE-LJQANCHMSA-N 1 3 361.530 1.492 50 0 FDAAHO C[C@@H](C1CCN(Cc2ccc(CN(C)S(C)(=O)=O)o2)CC1)[NH+](C)C ZINC000077504811 523366720 /nfs/dbraw/zinc/36/67/20/523366720.db2.gz LCAVJXOJOQGBHE-AWEZNQCLSA-N 1 3 357.520 1.833 50 0 FDAAHO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1Nc1nc(-c2cccnc2)nc2c1CCNC2 ZINC000067756753 837263368 /nfs/dbraw/zinc/26/33/68/837263368.db2.gz PBWGVVWUMJCLEV-ROUUACIJSA-N 1 3 368.485 1.704 50 0 FDAAHO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1Nc1nc(-c2cccnc2)nc2c1CCNC2 ZINC000067756753 837263380 /nfs/dbraw/zinc/26/33/80/837263380.db2.gz PBWGVVWUMJCLEV-ROUUACIJSA-N 1 3 368.485 1.704 50 0 FDAAHO [NH3+]Cc1cc(=O)[n-]c(-c2cccc(C[N@@H+]3CCC[C@H]3Cn3ccnc3)c2)n1 ZINC000039489891 205046239 /nfs/dbraw/zinc/04/62/39/205046239.db2.gz VUVRVQWYUVGGKI-SFHVURJKSA-N 1 3 364.453 1.757 50 0 FDAAHO [NH3+]Cc1cc(=O)[n-]c(-c2cccc(C[N@H+]3CCC[C@H]3Cn3ccnc3)c2)n1 ZINC000039489891 205046240 /nfs/dbraw/zinc/04/62/40/205046240.db2.gz VUVRVQWYUVGGKI-SFHVURJKSA-N 1 3 364.453 1.757 50 0 FDAAHO NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000058008142 205247830 /nfs/dbraw/zinc/24/78/30/205247830.db2.gz BOQRRDGCEHORNG-GOSISDBHSA-N 1 3 358.486 1.948 50 0 FDAAHO NC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000058008142 205247833 /nfs/dbraw/zinc/24/78/33/205247833.db2.gz BOQRRDGCEHORNG-GOSISDBHSA-N 1 3 358.486 1.948 50 0 FDAAHO OC[C@H]1CN(Cc2c[nH]cn2)CCC12CC[NH+](Cc1ccncc1)CC2 ZINC000215948472 206354415 /nfs/dbraw/zinc/35/44/15/206354415.db2.gz COUPSBCYYQRGRE-GOSISDBHSA-N 1 3 355.486 1.901 50 0 FDAAHO COc1ccccc1N1CCN(C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072407164 136145184 /nfs/dbraw/zinc/14/51/84/136145184.db2.gz HCHJVORBGPGNLG-SFHVURJKSA-N 1 3 372.513 1.418 50 0 FDAAHO COc1ccc(CNCCn2cccn2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000015063316 518706483 /nfs/dbraw/zinc/70/64/83/518706483.db2.gz ZYZHGLLVZJWNLV-GOSISDBHSA-N 1 3 374.485 1.517 50 0 FDAAHO CCCC[N@H+](CC)CCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 ZINC000020531747 518850965 /nfs/dbraw/zinc/85/09/65/518850965.db2.gz VSSPJELLTLMBKZ-UHFFFAOYSA-N 1 3 365.518 1.952 50 0 biogenic FDAAHO CCCC[N@@H+](CC)CCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 ZINC000020531747 518850971 /nfs/dbraw/zinc/85/09/71/518850971.db2.gz VSSPJELLTLMBKZ-UHFFFAOYSA-N 1 3 365.518 1.952 50 0 biogenic FDAAHO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000084638302 521886373 /nfs/dbraw/zinc/88/63/73/521886373.db2.gz MRZBDYPIKGCRGU-VQIMIIECSA-N 1 3 351.466 1.467 50 0 FDAAHO COCC[N@@H+]1CC[C@H](CNc2nc(-c3cccnc3)nc3c2CCNC3)C1 ZINC000071757238 522127790 /nfs/dbraw/zinc/12/77/90/522127790.db2.gz RLIAJKNEYRIMSD-OAHLLOKOSA-N 1 3 368.485 1.565 50 0 FDAAHO COCC[N@H+]1CC[C@H](CNc2nc(-c3cccnc3)nc3c2CCNC3)C1 ZINC000071757238 522127800 /nfs/dbraw/zinc/12/78/00/522127800.db2.gz RLIAJKNEYRIMSD-OAHLLOKOSA-N 1 3 368.485 1.565 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)NC1CCN(Cc3ccccn3)CC1)CC[NH2+]CC2 ZINC000072428569 522263609 /nfs/dbraw/zinc/26/36/09/522263609.db2.gz DYACWGGERLEBSY-LJQANCHMSA-N 1 3 371.529 1.236 50 0 FDAAHO Cc1nc2c(c(N3CCCN(C)CC3)n1)CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000072439934 522276524 /nfs/dbraw/zinc/27/65/24/522276524.db2.gz XQUQZPGCUYJYFO-KRWDZBQOSA-N 1 3 359.518 1.364 50 0 FDAAHO Cc1nc2c(c(N3CCCN(C)CC3)n1)CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000072439934 522276532 /nfs/dbraw/zinc/27/65/32/522276532.db2.gz XQUQZPGCUYJYFO-KRWDZBQOSA-N 1 3 359.518 1.364 50 0 FDAAHO [NH3+]CCc1cccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c1 ZINC000091691606 524762612 /nfs/dbraw/zinc/76/26/12/524762612.db2.gz MZQKLWNXTFOATE-NRFANRHFSA-N 1 3 359.514 1.775 50 0 FDAAHO COCC[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000299802291 571203509 /nfs/dbraw/zinc/20/35/09/571203509.db2.gz SLJJGMHEHILQLV-SFHVURJKSA-N 1 3 359.514 1.735 50 0 FDAAHO COCC[N@H+]1CC[C@@H](CNC(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000299802291 571203513 /nfs/dbraw/zinc/20/35/13/571203513.db2.gz SLJJGMHEHILQLV-SFHVURJKSA-N 1 3 359.514 1.735 50 0 FDAAHO O=C(NCCN1CCCC[C@H]1CO)C1CC[NH+](C2CCCCC2)CC1 ZINC000670449581 571351974 /nfs/dbraw/zinc/35/19/74/571351974.db2.gz RAWUTHFXJIQVOI-IBGZPJMESA-N 1 3 351.535 1.994 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)NCC[C@@H]3CCC[N@@H+]3C)cnn2c1 ZINC000067515231 205374686 /nfs/dbraw/zinc/37/46/86/205374686.db2.gz PVYXTYTZQVPAOP-INIZCTEOSA-N 1 3 358.490 1.785 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)NCC[C@@H]3CCC[N@H+]3C)cnn2c1 ZINC000067515231 205374689 /nfs/dbraw/zinc/37/46/89/205374689.db2.gz PVYXTYTZQVPAOP-INIZCTEOSA-N 1 3 358.490 1.785 50 0 FDAAHO COCC(=O)N1CCCN(C(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000095392126 205751616 /nfs/dbraw/zinc/75/16/16/205751616.db2.gz ZHUJUCAPMXTTLZ-SFHVURJKSA-N 1 3 359.470 1.475 50 0 FDAAHO COCc1nc(C2CC([NH3+])C2)cc(N2CCN(C3CCOCC3)CC2)n1 ZINC000220069030 132275468 /nfs/dbraw/zinc/27/54/68/132275468.db2.gz LZWBZFSSMSLMAY-UHFFFAOYSA-N 1 3 361.490 1.129 50 0 FDAAHO CN(Cc1nc2ccccc2n1C)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072421849 522253494 /nfs/dbraw/zinc/25/34/94/522253494.db2.gz FRNQVZDZRTVJIZ-KRWDZBQOSA-N 1 3 355.486 1.606 50 0 FDAAHO COCCOc1ccc(CNC(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)cc1 ZINC000072463664 522291324 /nfs/dbraw/zinc/29/13/24/522291324.db2.gz LZGVMKJJTUICEJ-GOSISDBHSA-N 1 3 361.486 1.402 50 0 FDAAHO CN(C[C@H]1Cc2ccccc2CN1C)c1nc(N)nc2c1CC[NH2+]CC2 ZINC000072479573 522302306 /nfs/dbraw/zinc/30/23/06/522302306.db2.gz BBAIJUXQFGKGPB-MRXNPFEDSA-N 1 3 352.486 1.240 50 0 FDAAHO COc1cc(CN2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)ccc1F ZINC000091526866 522401448 /nfs/dbraw/zinc/40/14/48/522401448.db2.gz AXDQSQSPJOHTSJ-IAGOWNOFSA-N 1 3 351.466 1.122 50 0 FDAAHO C[NH+](C)CCNC(=O)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256299 522796529 /nfs/dbraw/zinc/79/65/29/522796529.db2.gz MEPTXSSNKMURPB-SFHVURJKSA-N 1 3 353.470 1.524 50 0 FDAAHO Cc1cnc(CN2CC3(CCC2=O)CCN(C[C@@H]2CCC[NH2+]C2)CC3)cn1 ZINC000092061514 524837109 /nfs/dbraw/zinc/83/71/09/524837109.db2.gz QKRUWXKQMYZHSX-GOSISDBHSA-N 1 3 371.529 1.989 50 0 FDAAHO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](C[C@@H]2CCCNC2)CC3)cn1 ZINC000092061514 524837116 /nfs/dbraw/zinc/83/71/16/524837116.db2.gz QKRUWXKQMYZHSX-GOSISDBHSA-N 1 3 371.529 1.989 50 0 FDAAHO CN(C)Cc1cccc(C(=O)N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)c1 ZINC000097681752 525190447 /nfs/dbraw/zinc/19/04/47/525190447.db2.gz PNEJTAIDZRBXJO-FQEVSTJZSA-N 1 3 356.514 1.600 50 0 FDAAHO COc1ccc([C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000102621689 525296672 /nfs/dbraw/zinc/29/66/72/525296672.db2.gz NYTNLRIJWVAZNM-HQZYFCCVSA-N 1 3 367.493 1.549 50 0 FDAAHO O=C(NCCSc1ccccn1)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000096162598 526374616 /nfs/dbraw/zinc/37/46/16/526374616.db2.gz PKBHZANQQJQPKR-DNVCBOLYSA-N 1 3 360.527 1.754 50 0 FDAAHO O=C(NCCSc1ccccn1)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000096162598 526374625 /nfs/dbraw/zinc/37/46/25/526374625.db2.gz PKBHZANQQJQPKR-DNVCBOLYSA-N 1 3 360.527 1.754 50 0 FDAAHO CN1CCN(CCC(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000299777145 833094252 /nfs/dbraw/zinc/09/42/52/833094252.db2.gz AGYZHGGXZAYNAB-UHFFFAOYSA-N 1 3 358.530 1.404 50 0 FDAAHO CN1CCCN(CC(=O)NC[C@@H]2CCC[N@@H+](C3CCSCC3)C2)CC1 ZINC000952861013 960188477 /nfs/dbraw/zinc/18/84/77/960188477.db2.gz BJXBIPZFPBAGAN-KRWDZBQOSA-N 1 3 368.591 1.348 50 0 FDAAHO CN1CCCN(CC(=O)NC[C@@H]2CCC[N@H+](C3CCSCC3)C2)CC1 ZINC000952861013 960188488 /nfs/dbraw/zinc/18/84/88/960188488.db2.gz BJXBIPZFPBAGAN-KRWDZBQOSA-N 1 3 368.591 1.348 50 0 FDAAHO CCN(Cc1cn(C2CCN(C(=O)C[NH3+])CC2)nn1)C1CCCCCC1 ZINC000048428205 205163117 /nfs/dbraw/zinc/16/31/17/205163117.db2.gz BGGQMOJVGUYRQG-UHFFFAOYSA-N 1 3 362.522 1.945 50 0 FDAAHO CN(C)CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071751790 522123796 /nfs/dbraw/zinc/12/37/96/522123796.db2.gz CUFDZHCACYLIRV-LJQANCHMSA-N 1 3 373.545 1.436 50 0 FDAAHO CN(C)CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071751790 522123804 /nfs/dbraw/zinc/12/38/04/522123804.db2.gz CUFDZHCACYLIRV-LJQANCHMSA-N 1 3 373.545 1.436 50 0 FDAAHO N[C@H](CCC[NH3+])C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091586692 524733901 /nfs/dbraw/zinc/73/39/01/524733901.db2.gz KBVHENNSJNEUSI-GOSISDBHSA-N 1 3 372.513 1.484 50 0 FDAAHO CN1CCCNC(=O)C12CCN(C[C@H]1CCC[N@@H+]1Cc1ccccc1)CC2 ZINC000252487716 571132642 /nfs/dbraw/zinc/13/26/42/571132642.db2.gz IAKSTQFTECPZQZ-HXUWFJFHSA-N 1 3 370.541 1.937 50 0 FDAAHO CN1CCCNC(=O)C12CCN(C[C@H]1CCC[N@H+]1Cc1ccccc1)CC2 ZINC000252487716 571132643 /nfs/dbraw/zinc/13/26/43/571132643.db2.gz IAKSTQFTECPZQZ-HXUWFJFHSA-N 1 3 370.541 1.937 50 0 FDAAHO CN1CCCNC(=O)C12CC[NH+](C[C@H]1CCCN1Cc1ccccc1)CC2 ZINC000252487716 571132647 /nfs/dbraw/zinc/13/26/47/571132647.db2.gz IAKSTQFTECPZQZ-HXUWFJFHSA-N 1 3 370.541 1.937 50 0 FDAAHO [NH3+]CCCOc1cc(Cl)ccc1C(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1 ZINC000426707244 571235746 /nfs/dbraw/zinc/23/57/46/571235746.db2.gz QKBAPGDQGYVYFV-HOTGVXAUSA-N 1 3 367.877 1.349 50 0 FDAAHO COCCN1CCC[C@@H](CNC(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000670453169 571352887 /nfs/dbraw/zinc/35/28/87/571352887.db2.gz ZYLQEUCITGQPQE-KRWDZBQOSA-N 1 3 367.534 1.352 50 0 FDAAHO CSCCC[NH2+]Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 ZINC000015079344 670627080 /nfs/dbraw/zinc/62/70/80/670627080.db2.gz CGHIDSFUYVPYDJ-SFHVURJKSA-N 1 3 368.543 1.726 50 0 FDAAHO O=C1N[C@@](Cc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1CCN1CCCC1 ZINC000299764263 800178215 /nfs/dbraw/zinc/17/82/15/800178215.db2.gz YXPKKVBLULGYPV-NRFANRHFSA-N 1 3 370.497 1.615 50 0 FDAAHO NC(=O)COc1ccc(C[NH2+]CCCN2CCC[C@@H](O)C2)cc1Cl ZINC000952975876 960271843 /nfs/dbraw/zinc/27/18/43/960271843.db2.gz XVPFJWUXNBLNMF-CQSZACIVSA-N 1 3 355.866 1.141 50 0 FDAAHO CN1CCCN(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000039551864 205045589 /nfs/dbraw/zinc/04/55/89/205045589.db2.gz COZPDUICPBBXNO-GOSISDBHSA-N 1 3 350.551 1.927 50 0 FDAAHO CN1CCCN(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000039551864 205045594 /nfs/dbraw/zinc/04/55/94/205045594.db2.gz COZPDUICPBBXNO-GOSISDBHSA-N 1 3 350.551 1.927 50 0 FDAAHO CCN1CCN(CCCNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000216261738 206357855 /nfs/dbraw/zinc/35/78/55/206357855.db2.gz WLKYZMQPKJZLIE-HXUWFJFHSA-N 1 3 358.530 1.911 50 0 FDAAHO C[C@@H](N)C(=O)N(Cc1ccncc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000095501049 525083617 /nfs/dbraw/zinc/08/36/17/525083617.db2.gz BIPRPUBPCTUALH-QGZVFWFLSA-N 1 3 373.545 1.564 50 0 FDAAHO Cn1ccc2ccc(CN3C[C@H](CO)[C@H](C[N@H+]4CCCN(C)CC4)C3)cc21 ZINC000091390897 527374037 /nfs/dbraw/zinc/37/40/37/527374037.db2.gz GHJXHKUCGKHBPC-NHCUHLMSSA-N 1 3 370.541 1.856 50 0 FDAAHO Cn1ccc2ccc(CN3C[C@H](CO)[C@H](C[N@@H+]4CCCN(C)CC4)C3)cc21 ZINC000091390897 527374028 /nfs/dbraw/zinc/37/40/28/527374028.db2.gz GHJXHKUCGKHBPC-NHCUHLMSSA-N 1 3 370.541 1.856 50 0 FDAAHO CN1CCC([N@@H+]2CCN(Cc3cccc4nonc43)C[C@@H]2CCO)CC1 ZINC000020782008 518857337 /nfs/dbraw/zinc/85/73/37/518857337.db2.gz ZRGHQSSSVFUGCU-KRWDZBQOSA-N 1 3 359.474 1.186 50 0 FDAAHO CN1CCC([N@H+]2CCN(Cc3cccc4nonc43)C[C@@H]2CCO)CC1 ZINC000020782008 518857343 /nfs/dbraw/zinc/85/73/43/518857343.db2.gz ZRGHQSSSVFUGCU-KRWDZBQOSA-N 1 3 359.474 1.186 50 0 FDAAHO CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000095497538 525081141 /nfs/dbraw/zinc/08/11/41/525081141.db2.gz ABXOVDIILHJLPI-IEBWSBKVSA-N 1 3 363.477 1.261 50 0 FDAAHO COc1cc(C[NH+]2CCCC2)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000095523998 525100888 /nfs/dbraw/zinc/10/08/88/525100888.db2.gz KNZQEIBNWFDADZ-GOSISDBHSA-N 1 3 364.486 1.487 50 0 FDAAHO OCCN1CCc2nnc([C@H]3CC[N@H+](CCc4ccccc4)C3)n2CC1 ZINC000257195210 794048826 /nfs/dbraw/zinc/04/88/26/794048826.db2.gz VPTVTAXLIVDCPC-SFHVURJKSA-N 1 3 355.486 1.161 50 0 FDAAHO OCCN1CCc2nnc([C@H]3CC[N@@H+](CCc4ccccc4)C3)n2CC1 ZINC000257195210 794048833 /nfs/dbraw/zinc/04/88/33/794048833.db2.gz VPTVTAXLIVDCPC-SFHVURJKSA-N 1 3 355.486 1.161 50 0 FDAAHO Cc1nn(C)cc1CN1CCC2(C[C@H](C(=O)N3CCCC3)[N@H+](C)C2)CC1 ZINC000675008932 795199527 /nfs/dbraw/zinc/19/95/27/795199527.db2.gz BPJSBQVCQTYVLZ-GOSISDBHSA-N 1 3 359.518 1.637 50 0 FDAAHO Cc1nn(C)cc1CN1CCC2(C[C@H](C(=O)N3CCCC3)[N@@H+](C)C2)CC1 ZINC000675008932 795199529 /nfs/dbraw/zinc/19/95/29/795199529.db2.gz BPJSBQVCQTYVLZ-GOSISDBHSA-N 1 3 359.518 1.637 50 0 FDAAHO CCn1cc(CN2CCC3(C[C@@H](C(=O)N4CCCC4)[N@H+](C)C3)CC2)cn1 ZINC000675009327 795200257 /nfs/dbraw/zinc/20/02/57/795200257.db2.gz CNWFFFRVSFEDII-SFHVURJKSA-N 1 3 359.518 1.812 50 0 FDAAHO CCn1cc(CN2CCC3(C[C@@H](C(=O)N4CCCC4)[N@@H+](C)C3)CC2)cn1 ZINC000675009327 795200258 /nfs/dbraw/zinc/20/02/58/795200258.db2.gz CNWFFFRVSFEDII-SFHVURJKSA-N 1 3 359.518 1.812 50 0 FDAAHO Cc1nc2c(c(N3CCC([C@@H](C)N4CCOCC4)CC3)n1)CC[NH2+]CC2 ZINC000065508250 205357622 /nfs/dbraw/zinc/35/76/22/205357622.db2.gz RIAWDNPBUWLCQX-OAHLLOKOSA-N 1 3 359.518 1.410 50 0 FDAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CNC(C)(C)CO)cc1OC ZINC000015080780 518709052 /nfs/dbraw/zinc/70/90/52/518709052.db2.gz ISSVXGYMMLTNQU-MRXNPFEDSA-N 1 3 354.491 1.637 50 0 FDAAHO O=C1N(Cc2ccccc2)CCC12CC[NH+](C[C@@]1(O)CCCNC1)CC2 ZINC000072423194 522257129 /nfs/dbraw/zinc/25/71/29/522257129.db2.gz JHIUDUOAZSNLCW-OAQYLSRUSA-N 1 3 357.498 1.616 50 0 FDAAHO Nc1nc2c(c(N[C@H]3CCCN(Cc4ccccc4)C3)n1)CC[NH2+]CC2 ZINC000072427890 522260981 /nfs/dbraw/zinc/26/09/81/522260981.db2.gz BAXNZNJDQQGUNM-INIZCTEOSA-N 1 3 352.486 1.824 50 0 FDAAHO CN(Cc1ccc2nsnc2c1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072429133 522263325 /nfs/dbraw/zinc/26/33/25/522263325.db2.gz FPYFXSQKBMUWEJ-INIZCTEOSA-N 1 3 359.499 1.724 50 0 FDAAHO O[C@]1(C[NH+]2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)CNCCOC1 ZINC000077521361 523371253 /nfs/dbraw/zinc/37/12/53/523371253.db2.gz WXXAYDDGAKJFTE-NRFANRHFSA-N 1 3 370.497 1.531 50 0 FDAAHO OC[C@H]1CN(Cc2cnc[nH]2)CCC12CC[NH+](CCCn1cccn1)CC2 ZINC000097601059 209188896 /nfs/dbraw/zinc/18/88/96/209188896.db2.gz WWBKNPZGYVDUBE-GOSISDBHSA-N 1 3 372.517 1.593 50 0 FDAAHO COc1ccccc1CCN1CCC(CN(C)C(=O)[C@@H]2C=CC[NH2+]2)CC1 ZINC000095522902 209073987 /nfs/dbraw/zinc/07/39/87/209073987.db2.gz JXYZXEVBHGFBIW-IBGZPJMESA-N 1 3 357.498 1.936 50 0 FDAAHO CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1CCCCC1 ZINC000020531741 518851226 /nfs/dbraw/zinc/85/12/26/518851226.db2.gz KRVPEVOBJCTVGB-UHFFFAOYSA-N 1 3 363.502 1.706 50 0 biogenic FDAAHO Cc1ccc2[nH]c(=O)c(C[NH+]3CCC(n4cc(CN)nn4)CC3)cc2c1 ZINC000023507025 518955489 /nfs/dbraw/zinc/95/54/89/518955489.db2.gz QNZKNZRAHCYWHR-UHFFFAOYSA-N 1 3 352.442 1.724 50 0 FDAAHO C[NH+](C)[C@H]1CCN(c2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)C1 ZINC000071498884 522113640 /nfs/dbraw/zinc/11/36/40/522113640.db2.gz YLCUBGACRNXREN-HNNXBMFYSA-N 1 3 366.469 1.029 50 0 FDAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)N(C)Cc3nccn3C)C2)CC1 ZINC000071422256 522115395 /nfs/dbraw/zinc/11/53/95/522115395.db2.gz UBHDJEIGUOJKCX-KRWDZBQOSA-N 1 3 361.534 1.963 50 0 FDAAHO O=C(NCCN1CCCCC1)c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000071759666 522128125 /nfs/dbraw/zinc/12/81/25/522128125.db2.gz APEFWKZZDJBGCN-IBGZPJMESA-N 1 3 371.529 1.972 50 0 FDAAHO O=C(NCCN1CCCCC1)c1cc(N2CCC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000071759666 522128133 /nfs/dbraw/zinc/12/81/33/522128133.db2.gz APEFWKZZDJBGCN-IBGZPJMESA-N 1 3 371.529 1.972 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)NCc1nnc(-c3ccccc3)[nH]1)CC[NH2+]CC2 ZINC000072432387 522268682 /nfs/dbraw/zinc/26/86/82/522268682.db2.gz RNYVTQUPOXIQHS-HNNXBMFYSA-N 1 3 354.458 1.162 50 0 FDAAHO Cc1cc2c(cc1CN1CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C1)OCO2 ZINC000072432654 522270278 /nfs/dbraw/zinc/27/02/78/522270278.db2.gz OTOWRDYEYDDHOS-DOTOQJQBSA-N 1 3 359.470 1.885 50 0 FDAAHO C[N@H+](CCN1CC2(CCN(C(=O)CN)CC2)OC1=O)C1CCCCC1 ZINC000077339799 523300437 /nfs/dbraw/zinc/30/04/37/523300437.db2.gz MWIUYDJKUGMPHJ-UHFFFAOYSA-N 1 3 352.479 1.023 50 0 FDAAHO C[N@@H+](CCN1CC2(CCN(C(=O)CN)CC2)OC1=O)C1CCCCC1 ZINC000077339799 523300447 /nfs/dbraw/zinc/30/04/47/523300447.db2.gz MWIUYDJKUGMPHJ-UHFFFAOYSA-N 1 3 352.479 1.023 50 0 FDAAHO C[N@H+](CCCN1CC2(CCN(CCO)CC2)OC1=O)C1CCCCC1 ZINC000077503383 523363510 /nfs/dbraw/zinc/36/35/10/523363510.db2.gz NHBMQGNVDYHWBT-UHFFFAOYSA-N 1 3 353.507 1.920 50 0 FDAAHO C[N@@H+](CCCN1CC2(CCN(CCO)CC2)OC1=O)C1CCCCC1 ZINC000077503383 523363521 /nfs/dbraw/zinc/36/35/21/523363521.db2.gz NHBMQGNVDYHWBT-UHFFFAOYSA-N 1 3 353.507 1.920 50 0 FDAAHO CN1CCN(C2(CNc3cc(C4CC([NH3+])C4)nc(N)n3)CCCCC2)CC1 ZINC000220718331 537493520 /nfs/dbraw/zinc/49/35/20/537493520.db2.gz WGHCZDYKRKNPJF-UHFFFAOYSA-N 1 3 373.549 1.626 50 0 FDAAHO CN1CC[N@@H+](C2CCN(Cc3ccccc3)CC2)C[C@@]12CCNC(=O)CC2 ZINC000107400136 570896747 /nfs/dbraw/zinc/89/67/47/570896747.db2.gz QJAAVLWPRHXFBZ-JOCHJYFZSA-N 1 3 370.541 1.937 50 0 FDAAHO CN1CC[N@H+](C2CCN(Cc3ccccc3)CC2)C[C@@]12CCNC(=O)CC2 ZINC000107400136 570896750 /nfs/dbraw/zinc/89/67/50/570896750.db2.gz QJAAVLWPRHXFBZ-JOCHJYFZSA-N 1 3 370.541 1.937 50 0 FDAAHO COCCn1c(CN2CCN(CC3CCC3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244787789 571116670 /nfs/dbraw/zinc/11/66/70/571116670.db2.gz QDRHDODQAKNMPX-CALCHBBNSA-N 1 3 362.522 1.047 50 0 FDAAHO CN(C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)c1[nH]nc2ccccc21 ZINC000169790893 864527999 /nfs/dbraw/zinc/52/79/99/864527999.db2.gz OZKZDSJYUJEKLU-RDTXWAMCSA-N 1 3 371.485 1.334 50 0 FDAAHO CN(C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)c1[nH]nc2ccccc21 ZINC000169790893 864528011 /nfs/dbraw/zinc/52/80/11/864528011.db2.gz OZKZDSJYUJEKLU-RDTXWAMCSA-N 1 3 371.485 1.334 50 0 FDAAHO Cc1c(C(=O)N[C@H]2CCN(CC3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000237776737 209354006 /nfs/dbraw/zinc/35/40/06/209354006.db2.gz VQYVBCIZWPNDNI-INIZCTEOSA-N 1 3 360.506 1.505 50 0 FDAAHO Nc1ncccc1CN1CCC2(CC[NH+](C3CCOCC3)CC2)[C@H](CO)C1 ZINC000097785475 209197549 /nfs/dbraw/zinc/19/75/49/209197549.db2.gz XUHANALCQRWPEA-SFHVURJKSA-N 1 3 374.529 1.739 50 0 FDAAHO CN(C)Cc1cccc(C(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)c1 ZINC000097681751 209192662 /nfs/dbraw/zinc/19/26/62/209192662.db2.gz PNEJTAIDZRBXJO-HXUWFJFHSA-N 1 3 356.514 1.600 50 0 FDAAHO CCOc1ccccc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000095405696 209049772 /nfs/dbraw/zinc/04/97/72/209049772.db2.gz PPNMSCFHNXRXRX-KRWDZBQOSA-N 1 3 362.518 1.982 50 0 FDAAHO CN(C)CCOc1ccccc1C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072129700 522159330 /nfs/dbraw/zinc/15/93/30/522159330.db2.gz KNKMJTASQNJAAD-QGZVFWFLSA-N 1 3 361.486 1.656 50 0 FDAAHO CN(C)CCOc1ccccc1C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072129700 522159337 /nfs/dbraw/zinc/15/93/37/522159337.db2.gz KNKMJTASQNJAAD-QGZVFWFLSA-N 1 3 361.486 1.656 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)N1CCC(Oc3ccncc3)CC1)CC[NH2+]CC2 ZINC000072438826 522277639 /nfs/dbraw/zinc/27/76/39/522277639.db2.gz SHUUWGLEMHIHDX-SFHVURJKSA-N 1 3 358.486 1.525 50 0 FDAAHO Cn1nc([C@H]2CCCN(CC3CC[NH2+]CC3)C2)n(-c2ccccc2)c1=O ZINC000067541120 523488148 /nfs/dbraw/zinc/48/81/48/523488148.db2.gz FZHIEMGQWQJEFO-KRWDZBQOSA-N 1 3 355.486 1.750 50 0 FDAAHO CC[NH+]1CCC(N2CCN(C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)CC1 ZINC000230200865 537579072 /nfs/dbraw/zinc/57/90/72/537579072.db2.gz KKKGDTRPKQLTQT-OAQYLSRUSA-N 1 3 362.562 1.879 50 0 FDAAHO Cc1ncccc1OC1(C(=O)N2CCN3CCC[C@@H]3[C@H]2C)CC[NH2+]CC1 ZINC000106267881 570889619 /nfs/dbraw/zinc/88/96/19/570889619.db2.gz DTUYAVIIZLGBCF-IAGOWNOFSA-N 1 3 358.486 1.586 50 0 FDAAHO CCC[N@H+](C)Cc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(OC)c1 ZINC000095513054 209071020 /nfs/dbraw/zinc/07/10/20/209071020.db2.gz WPVWSOXWEFCNSZ-SFHVURJKSA-N 1 3 366.502 1.733 50 0 FDAAHO CCC[N@@H+](C)Cc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(OC)c1 ZINC000095513054 209071023 /nfs/dbraw/zinc/07/10/23/209071023.db2.gz WPVWSOXWEFCNSZ-SFHVURJKSA-N 1 3 366.502 1.733 50 0 FDAAHO Cc1c[nH+]ccc1N1CCN(c2nc(C)nc3c2CCN(C)CC3)CC1 ZINC000065465538 136136476 /nfs/dbraw/zinc/13/64/76/136136476.db2.gz HBZMHKFWWUIIRZ-UHFFFAOYSA-N 1 3 352.486 1.845 50 0 FDAAHO COc1cc(CN(C)CCO)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095523741 209074818 /nfs/dbraw/zinc/07/48/18/209074818.db2.gz YOHCLGOWDREJMZ-SFHVURJKSA-N 1 3 366.502 1.735 50 0 FDAAHO CCN1CCN(C[C@@H]2C[N@H+](C/C=C/c3ccc(OC)cc3)C[C@@H]2CO)CC1 ZINC000091664063 521686214 /nfs/dbraw/zinc/68/62/14/521686214.db2.gz BXQZXOKFLUFYEA-QLAYCGNHSA-N 1 3 373.541 1.886 50 0 FDAAHO CCN1CCN(C[C@@H]2C[N@@H+](C/C=C/c3ccc(OC)cc3)C[C@@H]2CO)CC1 ZINC000091664063 521686217 /nfs/dbraw/zinc/68/62/17/521686217.db2.gz BXQZXOKFLUFYEA-QLAYCGNHSA-N 1 3 373.541 1.886 50 0 FDAAHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 ZINC000072409193 522238693 /nfs/dbraw/zinc/23/86/93/522238693.db2.gz BPLCUPISAJJQGN-FUHWJXTLSA-N 1 3 358.486 1.160 50 0 FDAAHO COc1ccc(C[C@H](N)C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cc1 ZINC000072472822 522291839 /nfs/dbraw/zinc/29/18/39/522291839.db2.gz MVSMRPAQKVJWIJ-IBGZPJMESA-N 1 3 354.454 1.231 50 0 FDAAHO CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072474923 522294590 /nfs/dbraw/zinc/29/45/90/522294590.db2.gz BMCHPFHRHCGHQF-LJQANCHMSA-N 1 3 367.497 1.905 50 0 FDAAHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3nccs3)CC2)CC1 ZINC000051337938 523012041 /nfs/dbraw/zinc/01/20/41/523012041.db2.gz YXJMGFIGGFLQCR-UHFFFAOYSA-N 1 3 351.520 1.543 50 0 FDAAHO CC1=NC(=O)C2(CCN(CC3(c4ccc(C)cn4)CC[NH2+]CC3)CC2)N1 ZINC000067759042 523573310 /nfs/dbraw/zinc/57/33/10/523573310.db2.gz LLLQSDFJUPTHHQ-UHFFFAOYSA-N 1 3 355.486 1.394 50 0 FDAAHO CN1CCC(N2C(=O)N[C@](Cc3ccccc3)(C3CC[NH2+]CC3)C2=O)CC1 ZINC000067878513 523618984 /nfs/dbraw/zinc/61/89/84/523618984.db2.gz CYDNOVVTZDKJPB-OAQYLSRUSA-N 1 3 370.497 1.614 50 0 FDAAHO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC(=O)N2CCNCC2)C3)cc1 ZINC000091269671 524042797 /nfs/dbraw/zinc/04/27/97/524042797.db2.gz PQZASJQTRLNFQK-RBUKOAKNSA-N 1 3 372.513 1.023 50 0 FDAAHO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC(=O)N2CCNCC2)C3)cc1 ZINC000091269671 524042798 /nfs/dbraw/zinc/04/27/98/524042798.db2.gz PQZASJQTRLNFQK-RBUKOAKNSA-N 1 3 372.513 1.023 50 0 FDAAHO [NH3+]CCc1cccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c1 ZINC000091691608 527197464 /nfs/dbraw/zinc/19/74/64/527197464.db2.gz MZQKLWNXTFOATE-OAQYLSRUSA-N 1 3 359.514 1.775 50 0 FDAAHO Cc1cc(CN2CCC3(C[C@@H](C(=O)N4CCCC4)[N@H+](C)C3)CC2)n(C)n1 ZINC000675011239 795205766 /nfs/dbraw/zinc/20/57/66/795205766.db2.gz RDRLCTLGWPYQKD-SFHVURJKSA-N 1 3 359.518 1.637 50 0 FDAAHO Cc1cc(CN2CCC3(C[C@@H](C(=O)N4CCCC4)[N@@H+](C)C3)CC2)n(C)n1 ZINC000675011239 795205772 /nfs/dbraw/zinc/20/57/72/795205772.db2.gz RDRLCTLGWPYQKD-SFHVURJKSA-N 1 3 359.518 1.637 50 0 FDAAHO OC[C@H]1CN(Cc2nccs2)CCC12CC[NH+](Cc1c[nH]cn1)CC2 ZINC000097743461 209195676 /nfs/dbraw/zinc/19/56/76/209195676.db2.gz BVRGYUQQHMLDLX-OAHLLOKOSA-N 1 3 361.515 1.963 50 0 FDAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CN(C)CCOC)ccc1OC ZINC000012835477 518639351 /nfs/dbraw/zinc/63/93/51/518639351.db2.gz WJXPBNPCJJMSTG-QGZVFWFLSA-N 1 3 354.491 1.855 50 0 FDAAHO COCCN(C)CCN1CC2(CC[NH+]([C@@H]3CCCOC3)CC2)OC1=O ZINC000072419553 522247623 /nfs/dbraw/zinc/24/76/23/522247623.db2.gz QDQHWUBPPHAFNZ-MRXNPFEDSA-N 1 3 355.479 1.030 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cnn2c1 ZINC000067787426 523587253 /nfs/dbraw/zinc/58/72/53/523587253.db2.gz OFMQGYVRUSHAGW-CVEARBPZSA-N 1 3 356.474 1.538 50 0 FDAAHO C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(Cc2cccnc2N)CC3)C1 ZINC000091679742 524759138 /nfs/dbraw/zinc/75/91/38/524759138.db2.gz ITJORYQCOXPQJV-QGZVFWFLSA-N 1 3 357.502 1.573 50 0 FDAAHO C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(Cc2cccnc2N)CC3)C1 ZINC000091679742 524759142 /nfs/dbraw/zinc/75/91/42/524759142.db2.gz ITJORYQCOXPQJV-QGZVFWFLSA-N 1 3 357.502 1.573 50 0 FDAAHO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)N1CCN(c2ccncc2)CC1 ZINC000426720016 571236441 /nfs/dbraw/zinc/23/64/41/571236441.db2.gz SHYJYOOYUOLQFM-INIZCTEOSA-N 1 3 354.458 1.094 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)N1CCOCC1)CC[NH+](Cc1ccncc1)CC2 ZINC000581802576 787011053 /nfs/dbraw/zinc/01/10/53/787011053.db2.gz KXQVYPVGRZSXDI-GOSISDBHSA-N 1 3 358.486 1.227 50 0 FDAAHO CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014732907 518696892 /nfs/dbraw/zinc/69/68/92/518696892.db2.gz LWMVNPRPUSDVEO-UHFFFAOYSA-N 1 3 358.486 1.867 50 0 FDAAHO CN(C)CCN1C(=O)N[C@@](CCc2ccccc2)(C2CC[NH2+]CC2)C1=O ZINC000067472701 523464551 /nfs/dbraw/zinc/46/45/51/523464551.db2.gz VMOIDKKMKZQDPV-FQEVSTJZSA-N 1 3 358.486 1.471 50 0 FDAAHO CN1CCC([N@@H+]2CCN(Cc3cccc4nonc43)C[C@H]2CCO)CC1 ZINC000104384658 525409398 /nfs/dbraw/zinc/40/93/98/525409398.db2.gz ZRGHQSSSVFUGCU-QGZVFWFLSA-N 1 3 359.474 1.186 50 0 FDAAHO CN1CCC([N@H+]2CCN(Cc3cccc4nonc43)C[C@H]2CCO)CC1 ZINC000104384658 525409404 /nfs/dbraw/zinc/40/94/04/525409404.db2.gz ZRGHQSSSVFUGCU-QGZVFWFLSA-N 1 3 359.474 1.186 50 0 FDAAHO Cc1cc(C)c(C[N@H+](C)C[C@@H]2COCCO2)cc1CN1CCN(C)CC1 ZINC000215773391 537442040 /nfs/dbraw/zinc/44/20/40/537442040.db2.gz MZNZMWQBUIRYAB-OAQYLSRUSA-N 1 3 361.530 1.898 50 0 FDAAHO Cc1cc(C)c(C[N@@H+](C)C[C@@H]2COCCO2)cc1CN1CCN(C)CC1 ZINC000215773391 537442050 /nfs/dbraw/zinc/44/20/50/537442050.db2.gz MZNZMWQBUIRYAB-OAQYLSRUSA-N 1 3 361.530 1.898 50 0 FDAAHO CCCCN1CCn2nc(CNC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)cc2C1 ZINC000299756954 571192221 /nfs/dbraw/zinc/19/22/21/571192221.db2.gz FBERSKUVSIFEBC-IBGZPJMESA-N 1 3 371.485 1.391 50 0 FDAAHO CN1CC[N@@H+](C2CCN(Cc3ccccc3)CC2)C[C@]12CCNC(=O)CC2 ZINC000092081710 209016817 /nfs/dbraw/zinc/01/68/17/209016817.db2.gz QJAAVLWPRHXFBZ-QFIPXVFZSA-N 1 3 370.541 1.937 50 0 FDAAHO CN1CC[N@H+](C2CCN(Cc3ccccc3)CC2)C[C@]12CCNC(=O)CC2 ZINC000092081710 209016820 /nfs/dbraw/zinc/01/68/20/209016820.db2.gz QJAAVLWPRHXFBZ-QFIPXVFZSA-N 1 3 370.541 1.937 50 0 FDAAHO NC(=O)C1CCN(CCCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095360291 209027450 /nfs/dbraw/zinc/02/74/50/209027450.db2.gz RLYZNTVIWVGTDA-IBGZPJMESA-N 1 3 372.513 1.471 50 0 FDAAHO CN(CCC(N)=O)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095507866 209066969 /nfs/dbraw/zinc/06/69/69/209066969.db2.gz OTOPOWSRHYPANF-GOSISDBHSA-N 1 3 363.502 1.610 50 0 FDAAHO Cc1nc(C2CC[NH2+]CC2)cc(N2CCN(CC(C)C)[C@H](CCO)C2)n1 ZINC000067676158 136137439 /nfs/dbraw/zinc/13/74/39/136137439.db2.gz UVJOUBYBMRVKDN-GOSISDBHSA-N 1 3 361.534 1.781 50 0 FDAAHO CC(C)[NH+]1CCC(N2CCN(CCCn3cccn3)C[C@@H]2CCO)CC1 ZINC000019836836 519670505 /nfs/dbraw/zinc/67/05/05/519670505.db2.gz LPXMOONOJGMNKE-FQEVSTJZSA-N 1 3 363.550 1.515 50 0 FDAAHO O=C(NCCO)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071735925 522120236 /nfs/dbraw/zinc/12/02/36/522120236.db2.gz QIKVZARHTXAXPU-IBGZPJMESA-N 1 3 371.525 1.439 50 0 FDAAHO CC[NH+]1CCC(N[C@@H]2CC[C@@H]2NC(=O)CN(C)Cc2ccncc2)CC1 ZINC000072424157 522257051 /nfs/dbraw/zinc/25/70/51/522257051.db2.gz XQPJHCVJUDFDKY-MOPGFXCFSA-N 1 3 359.518 1.235 50 0 FDAAHO C[C@@H](C1CCN(Cc2cccc(OCC(N)=O)c2)CC1)[NH+]1CCN(C)CC1 ZINC000077286154 523284426 /nfs/dbraw/zinc/28/44/26/523284426.db2.gz ZUACUMXBHQOVEU-KRWDZBQOSA-N 1 3 374.529 1.399 50 0 FDAAHO CCN1CC[C@H](Cn2nc(C3CC[NH2+]CC3)n(Cc3ccccc3)c2=O)C1 ZINC000067789528 523586727 /nfs/dbraw/zinc/58/67/27/523586727.db2.gz ZKIPONGDXNOYLJ-SFHVURJKSA-N 1 3 369.513 1.902 50 0 FDAAHO CN1CCCN(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000823765155 922045607 /nfs/dbraw/zinc/04/56/07/922045607.db2.gz YYEBUYBSUZBFOO-UHFFFAOYSA-N 1 3 360.502 1.736 50 0 FDAAHO Cc1nccn1CC[N@H+]1CCN(C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000828256328 924858594 /nfs/dbraw/zinc/85/85/94/924858594.db2.gz YXEWAVKZIAWOOY-HXUWFJFHSA-N 1 3 359.518 1.600 50 0 FDAAHO Cc1nccn1CC[N@@H+]1CCN(C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000828256328 924858601 /nfs/dbraw/zinc/85/86/01/924858601.db2.gz YXEWAVKZIAWOOY-HXUWFJFHSA-N 1 3 359.518 1.600 50 0 FDAAHO CN1CCC2(CC1)CN(C(=O)NCc1ccc(C[NH+](C)C)cc1)CCN2C ZINC000534655220 540395430 /nfs/dbraw/zinc/39/54/30/540395430.db2.gz PAOPVBRLYRHERS-UHFFFAOYSA-N 1 3 373.545 1.670 50 0 FDAAHO O=C(NCc1ccc2nonc2c1)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000096132664 209117516 /nfs/dbraw/zinc/11/75/16/209117516.db2.gz QLOOUGWRGGDTIF-AUUYWEPGSA-N 1 3 355.442 1.303 50 0 FDAAHO O=C(NCc1ccc2nonc2c1)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000096132664 209117518 /nfs/dbraw/zinc/11/75/18/209117518.db2.gz QLOOUGWRGGDTIF-AUUYWEPGSA-N 1 3 355.442 1.303 50 0 FDAAHO CN(C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H](COc3ccc4c(c3)CCC4)C2)C1 ZINC000014732231 518695836 /nfs/dbraw/zinc/69/58/36/518695836.db2.gz FVWZFJBUNRTOJZ-PWIZWCRZSA-N 1 3 371.525 1.942 50 0 FDAAHO Nc1nc2c(c(NC[C@H]3CCCN(Cc4ccco4)C3)n1)CC[NH2+]CC2 ZINC000072410266 522242216 /nfs/dbraw/zinc/24/22/16/522242216.db2.gz WJCOEGJKJCDPBU-CQSZACIVSA-N 1 3 356.474 1.664 50 0 FDAAHO Cc1ccc2[nH]c(CNC(=O)[C@H]3CC4(CN3C)CC[NH2+]CC4)nc2c1C ZINC000072432535 522269339 /nfs/dbraw/zinc/26/93/39/522269339.db2.gz VXPDGUDKGYWNMD-MRXNPFEDSA-N 1 3 355.486 1.870 50 0 FDAAHO Cc1ccc2nc(CNC(=O)[C@H]3CC4(CN3C)CC[NH2+]CC4)[nH]c2c1C ZINC000072432535 522269348 /nfs/dbraw/zinc/26/93/48/522269348.db2.gz VXPDGUDKGYWNMD-MRXNPFEDSA-N 1 3 355.486 1.870 50 0 FDAAHO COCCN(C)CCN1CC2(CC[NH+](C3CCOCC3)CC2)OC1=O ZINC000072480135 522305366 /nfs/dbraw/zinc/30/53/66/522305366.db2.gz OSUVMKJMOJQORL-UHFFFAOYSA-N 1 3 355.479 1.030 50 0 FDAAHO C[NH+](C)CCCNC(=O)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256295 522796308 /nfs/dbraw/zinc/79/63/08/522796308.db2.gz PQRBASGKGVDCIS-IBGZPJMESA-N 1 3 367.497 1.914 50 0 FDAAHO C[NH+]1CCC(N2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)CC1 ZINC000091616471 524739764 /nfs/dbraw/zinc/73/97/64/524739764.db2.gz APILOJDZZRCSMC-UHFFFAOYSA-N 1 3 370.505 1.526 50 0 FDAAHO CN(C)C[C@@H](c1ccccc1)N(C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000426420472 571222854 /nfs/dbraw/zinc/22/28/54/571222854.db2.gz VNJGFAPOBCLSBQ-IBGZPJMESA-N 1 3 362.518 1.778 50 0 FDAAHO Nc1cc[nH+]c(-c2ccc(C(=O)NCCN3CCC[C@H](CO)C3)cc2)c1 ZINC000426465251 571226634 /nfs/dbraw/zinc/22/66/34/571226634.db2.gz REYVPSFQQRZGCL-HNNXBMFYSA-N 1 3 354.454 1.765 50 0 FDAAHO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)N1CCCN(C2CCCC2)CC1 ZINC000426578893 571232228 /nfs/dbraw/zinc/23/22/28/571232228.db2.gz XTQUEHWWNHYZGA-QGZVFWFLSA-N 1 3 359.518 1.827 50 0 FDAAHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000237606975 209352101 /nfs/dbraw/zinc/35/21/01/209352101.db2.gz PAYILMHUISOEBA-NSHGMRRFSA-N 1 3 358.530 1.746 50 0 FDAAHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000237606975 209352106 /nfs/dbraw/zinc/35/21/06/209352106.db2.gz PAYILMHUISOEBA-NSHGMRRFSA-N 1 3 358.530 1.746 50 0 FDAAHO C/C=C(\C)CN1CCc2nnc([C@@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1 ZINC000011971482 207332840 /nfs/dbraw/zinc/33/28/40/207332840.db2.gz RWYCRDZOWREPOP-HSUWOCHWSA-N 1 3 374.533 1.621 50 0 FDAAHO C[NH+](C)CCO[C@H]1C[C@@H](O)C12CCN(Cc1cccc3nonc31)CC2 ZINC000091997765 209009993 /nfs/dbraw/zinc/00/99/93/209009993.db2.gz IXOPYVUNEIZWRY-SJORKVTESA-N 1 3 360.458 1.516 50 0 FDAAHO CCc1nccn1CCC[NH2+]C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000095511513 132213146 /nfs/dbraw/zinc/21/31/46/132213146.db2.gz QDAOIWFXRYMWRQ-UHFFFAOYSA-N 1 3 354.462 1.761 50 0 FDAAHO C[N@H+](CCCn1cccn1)Cc1ccc(-c2nc(CC[NH3+])cc(=O)[n-]2)cc1 ZINC000023380442 518949606 /nfs/dbraw/zinc/94/96/06/518949606.db2.gz ZVRNRSVCSNNQIK-UHFFFAOYSA-N 1 3 366.469 1.657 50 0 FDAAHO C[N@@H+](CCCn1cccn1)Cc1ccc(-c2nc(CC[NH3+])cc(=O)[n-]2)cc1 ZINC000023380442 518949609 /nfs/dbraw/zinc/94/96/09/518949609.db2.gz ZVRNRSVCSNNQIK-UHFFFAOYSA-N 1 3 366.469 1.657 50 0 FDAAHO O=C1N(Cc2ccccc2)CCC12CC[NH+](C[C@]1(O)CCCNC1)CC2 ZINC000072423193 522257151 /nfs/dbraw/zinc/25/71/51/522257151.db2.gz JHIUDUOAZSNLCW-NRFANRHFSA-N 1 3 357.498 1.616 50 0 FDAAHO CN(C[C@@H]1Cc2ccccc2CN1C)c1nc(N)nc2c1CC[NH2+]CC2 ZINC000072479574 522303455 /nfs/dbraw/zinc/30/34/55/522303455.db2.gz BBAIJUXQFGKGPB-INIZCTEOSA-N 1 3 352.486 1.240 50 0 FDAAHO C[C@H](C1CCN(Cc2ccc(CN(C)S(C)(=O)=O)o2)CC1)[NH+](C)C ZINC000077504812 523365537 /nfs/dbraw/zinc/36/55/37/523365537.db2.gz LCAVJXOJOQGBHE-CQSZACIVSA-N 1 3 357.520 1.833 50 0 FDAAHO CCO[C@H]1C[N@H+](Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C[C@@H]1O ZINC000219672280 537480003 /nfs/dbraw/zinc/48/00/03/537480003.db2.gz BUENQCUOXRYWTH-SFTDATJTSA-N 1 3 361.530 1.632 50 0 FDAAHO CCO[C@H]1C[N@@H+](Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C[C@@H]1O ZINC000219672280 537480012 /nfs/dbraw/zinc/48/00/12/537480012.db2.gz BUENQCUOXRYWTH-SFTDATJTSA-N 1 3 361.530 1.632 50 0 FDAAHO Cn1c(CN2CCN(C3CCSCC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252536783 571134116 /nfs/dbraw/zinc/13/41/16/571134116.db2.gz JOJMFCSXGOBFHT-HDJSIYSDSA-N 1 3 350.536 1.033 50 0 FDAAHO CCn1cc(CN2CCC3(C[C@H](C(=O)N4CCCC4)[N@H+](C)C3)CC2)cn1 ZINC000675009325 795200424 /nfs/dbraw/zinc/20/04/24/795200424.db2.gz CNWFFFRVSFEDII-GOSISDBHSA-N 1 3 359.518 1.812 50 0 FDAAHO CCn1cc(CN2CCC3(C[C@H](C(=O)N4CCCC4)[N@@H+](C)C3)CC2)cn1 ZINC000675009325 795200429 /nfs/dbraw/zinc/20/04/29/795200429.db2.gz CNWFFFRVSFEDII-GOSISDBHSA-N 1 3 359.518 1.812 50 0 FDAAHO COCC[N@@H+]1C[C@H](CO)C2(C1)CCN(C(=O)CN1CCCCCC1)CC2 ZINC000169792930 907120930 /nfs/dbraw/zinc/12/09/30/907120930.db2.gz PLSSTFUHRFUTDH-GOSISDBHSA-N 1 3 367.534 1.042 50 0 FDAAHO COCC[N@H+]1C[C@H](CO)C2(C1)CCN(C(=O)CN1CCCCCC1)CC2 ZINC000169792930 907120937 /nfs/dbraw/zinc/12/09/37/907120937.db2.gz PLSSTFUHRFUTDH-GOSISDBHSA-N 1 3 367.534 1.042 50 0 FDAAHO Cn1ncc2c1CCC[C@H]2NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038552 1006597009 /nfs/dbraw/zinc/59/70/09/1006597009.db2.gz GVUMPPZSIDMAOK-GOSISDBHSA-N 1 3 355.486 1.879 50 0 FDAAHO Cn1ccnc1CN(C(=O)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2)C1CC1 ZINC000065531085 221230622 /nfs/dbraw/zinc/23/06/22/221230622.db2.gz JQVUWESOVSLAKF-FOIQADDNSA-N 1 3 357.502 1.375 50 0 FDAAHO Cn1ccnc1CN(C(=O)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2)C1CC1 ZINC000065531085 221230623 /nfs/dbraw/zinc/23/06/23/221230623.db2.gz JQVUWESOVSLAKF-FOIQADDNSA-N 1 3 357.502 1.375 50 0 FDAAHO COCC[N@@H+]1CC[C@@H](CNc2nc(-c3cccnc3)nc3c2CCNC3)C1 ZINC000071757239 221366425 /nfs/dbraw/zinc/36/64/25/221366425.db2.gz RLIAJKNEYRIMSD-HNNXBMFYSA-N 1 3 368.485 1.565 50 0 FDAAHO COCC[N@H+]1CC[C@@H](CNc2nc(-c3cccnc3)nc3c2CCNC3)C1 ZINC000071757239 221366428 /nfs/dbraw/zinc/36/64/28/221366428.db2.gz RLIAJKNEYRIMSD-HNNXBMFYSA-N 1 3 368.485 1.565 50 0 FDAAHO OC[C@@H]1CCCC[N@@H+]1CCNc1nc(-c2ccccn2)nc2c1CCNC2 ZINC000072162073 522189757 /nfs/dbraw/zinc/18/97/57/522189757.db2.gz UJTAPCMESXXXTE-HNNXBMFYSA-N 1 3 368.485 1.443 50 0 FDAAHO OC[C@@H]1CCCC[N@H+]1CCNc1nc(-c2ccccn2)nc2c1CCNC2 ZINC000072162073 522189764 /nfs/dbraw/zinc/18/97/64/522189764.db2.gz UJTAPCMESXXXTE-HNNXBMFYSA-N 1 3 368.485 1.443 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)NCc1nnc(-c3ccccc3)[nH]1)CC[NH2+]CC2 ZINC000072432385 522269496 /nfs/dbraw/zinc/26/94/96/522269496.db2.gz RNYVTQUPOXIQHS-OAHLLOKOSA-N 1 3 354.458 1.162 50 0 FDAAHO Cc1nc2c(c(N3CCCN(C)CC3)n1)CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000248071804 527095932 /nfs/dbraw/zinc/09/59/32/527095932.db2.gz XQUQZPGCUYJYFO-QGZVFWFLSA-N 1 3 359.518 1.364 50 0 FDAAHO Cc1nc2c(c(N3CCCN(C)CC3)n1)CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000248071804 527095939 /nfs/dbraw/zinc/09/59/39/527095939.db2.gz XQUQZPGCUYJYFO-QGZVFWFLSA-N 1 3 359.518 1.364 50 0 FDAAHO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)N1CCN(c2ccncc2)CC1 ZINC000426358294 571214678 /nfs/dbraw/zinc/21/46/78/571214678.db2.gz KEGCLYMQSOOGQV-INIZCTEOSA-N 1 3 354.458 1.094 50 0 FDAAHO CN1CC[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000426689355 571235245 /nfs/dbraw/zinc/23/52/45/571235245.db2.gz YEPDZQOMNLRLAW-VNTMZGSJSA-N 1 3 356.514 1.752 50 0 FDAAHO CN1CC[C@@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[C@@H](Cc2ccccc2)C1 ZINC000426689355 571235248 /nfs/dbraw/zinc/23/52/48/571235248.db2.gz YEPDZQOMNLRLAW-VNTMZGSJSA-N 1 3 356.514 1.752 50 0 FDAAHO C[C@H](CN(C)C)On1c(=O)c2ccccc2nc1S[C@H](C)C[NH+](C)C ZINC000002409306 518242835 /nfs/dbraw/zinc/24/28/35/518242835.db2.gz AKYMJUSVGAWJBS-ZIAGYGMSSA-N 1 3 364.515 1.817 50 0 FDAAHO COc1ccc2[nH]c(CNC(=O)[C@@H]3CC4(CN3C)CC[NH2+]CC4)nc2c1 ZINC000072435952 522274127 /nfs/dbraw/zinc/27/41/27/522274127.db2.gz HOHLZPGUCKLOFK-INIZCTEOSA-N 1 3 357.458 1.262 50 0 FDAAHO COc1ccc2nc(CNC(=O)[C@@H]3CC4(CN3C)CC[NH2+]CC4)[nH]c2c1 ZINC000072435952 522274135 /nfs/dbraw/zinc/27/41/35/522274135.db2.gz HOHLZPGUCKLOFK-INIZCTEOSA-N 1 3 357.458 1.262 50 0 FDAAHO COc1ccc(CN2C[C@H](CO)[C@H](C[NH+](C)C)C2)cc1CN1CCCC1 ZINC000091943864 524817371 /nfs/dbraw/zinc/81/73/71/524817371.db2.gz XGQFMYYFKLKKIR-WOJBJXKFSA-N 1 3 361.530 1.893 50 0 FDAAHO [NH3+][C@H]1C[C@H](c2nnc(CN3CCN(C4CCOCC4)CC3)n2C2CC2)C1 ZINC000252528117 571134099 /nfs/dbraw/zinc/13/40/99/571134099.db2.gz FCHHDKDTKSULEY-SHTZXODSSA-N 1 3 360.506 1.114 50 0 FDAAHO N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072421294 522251491 /nfs/dbraw/zinc/25/14/91/522251491.db2.gz ZHYCMPLFFKNHPN-GOSISDBHSA-N 1 3 365.905 1.658 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)NCc1cccc(OC(F)F)c1)CC[NH2+]CC2 ZINC000072431642 522269884 /nfs/dbraw/zinc/26/98/84/522269884.db2.gz ULKXSYSYLCWJDV-HNNXBMFYSA-N 1 3 353.413 1.978 50 0 FDAAHO C[C@H](N)C(=O)N1CCC2(CN(CC[N@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077440768 523336203 /nfs/dbraw/zinc/33/62/03/523336203.db2.gz AINMMCHMUXRSFT-HNNXBMFYSA-N 1 3 366.506 1.412 50 0 FDAAHO C[C@H](N)C(=O)N1CCC2(CN(CC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077440768 523336208 /nfs/dbraw/zinc/33/62/08/523336208.db2.gz AINMMCHMUXRSFT-HNNXBMFYSA-N 1 3 366.506 1.412 50 0 FDAAHO Cn1c(CNCC2(c3ccccc3)CCOCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000220018944 537483386 /nfs/dbraw/zinc/48/33/86/537483386.db2.gz VLNHPFYGJOPGEP-WOVMCDHWSA-N 1 3 355.486 1.858 50 0 FDAAHO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)N1CCN(c2ccncc2)CC1 ZINC000426720017 571236446 /nfs/dbraw/zinc/23/64/46/571236446.db2.gz SHYJYOOYUOLQFM-MRXNPFEDSA-N 1 3 354.458 1.094 50 0 FDAAHO Cn1cccc1CN1CCC2(C[C@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000257185200 864530715 /nfs/dbraw/zinc/53/07/15/864530715.db2.gz WEXLOEAIAQJOHZ-GOSISDBHSA-N 1 3 360.502 1.170 50 0 FDAAHO Cn1cccc1CN1CCC2(C[C@H](C(=O)N3CCOCC3)[N@@H+](C)C2)CC1 ZINC000257185200 864530724 /nfs/dbraw/zinc/53/07/24/864530724.db2.gz WEXLOEAIAQJOHZ-GOSISDBHSA-N 1 3 360.502 1.170 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cnn2c1 ZINC000067643377 221264931 /nfs/dbraw/zinc/26/49/31/221264931.db2.gz GDEANQQXWYHMGM-DLBZAZTESA-N 1 3 370.501 1.880 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)cnn2c1 ZINC000067643377 221264932 /nfs/dbraw/zinc/26/49/32/221264932.db2.gz GDEANQQXWYHMGM-DLBZAZTESA-N 1 3 370.501 1.880 50 0 FDAAHO CCN1CC[C@@H](Cn2nc(C3CC[NH2+]CC3)n(-c3ccccc3)c2=O)C1 ZINC000067694893 221274196 /nfs/dbraw/zinc/27/41/96/221274196.db2.gz RHQJLLGEAFUUBA-MRXNPFEDSA-N 1 3 355.486 1.843 50 0 FDAAHO OC[C@@H]1CN(Cc2cnc[nH]2)CCC12CC[NH+](CCCn1cccn1)CC2 ZINC000097601060 222196624 /nfs/dbraw/zinc/19/66/24/222196624.db2.gz WWBKNPZGYVDUBE-SFHVURJKSA-N 1 3 372.517 1.593 50 0 FDAAHO O[C@H]1COC[C@@H]1N1CCCN(Cc2ccc(C[NH+]3CCCC3)s2)CC1 ZINC000097823501 222216429 /nfs/dbraw/zinc/21/64/29/222216429.db2.gz RJVYELLMSWQHQO-OALUTQOASA-N 1 3 365.543 1.611 50 0 FDAAHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](C)NC(=O)[C@@H](N)CCCC[NH3+])ccc12 ZINC000004556772 518302386 /nfs/dbraw/zinc/30/23/86/518302386.db2.gz BEIXTDYXKGFYLC-DOMZBBRYSA-N 1 3 374.441 1.001 50 0 FDAAHO COc1cc(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cc(OC)c1 ZINC000091519206 524719813 /nfs/dbraw/zinc/71/98/13/524719813.db2.gz DPGMHBLMCVDXRZ-MSOLQXFVSA-N 1 3 350.459 1.395 50 0 FDAAHO CN1CCC(C(=O)NCC2([NH+](C)C)CCOCC2)(c2ccccc2)CC1 ZINC000244608585 537648198 /nfs/dbraw/zinc/64/81/98/537648198.db2.gz FFCFEXNEPAFIOH-UHFFFAOYSA-N 1 3 359.514 1.877 50 0 FDAAHO O=C(CN1CCCCCC1)NC[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000952870201 960215599 /nfs/dbraw/zinc/21/55/99/960215599.db2.gz XIDRDNKVOUCGDE-LJQANCHMSA-N 1 3 361.534 1.977 50 0 FDAAHO O=C(CN1CCCCCC1)NC[C@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000952870201 960215604 /nfs/dbraw/zinc/21/56/04/960215604.db2.gz XIDRDNKVOUCGDE-LJQANCHMSA-N 1 3 361.534 1.977 50 0 FDAAHO CCCc1cc(N2CCC([NH2+]CC3(O)CCN(C)CC3)CC2)nc(C)n1 ZINC000095508432 132212782 /nfs/dbraw/zinc/21/27/82/132212782.db2.gz JOQGYPJKNUTBPW-UHFFFAOYSA-N 1 3 361.534 1.753 50 0 FDAAHO OCC[C@H]1CN(c2ncnc3sc4c(c32)CC[NH2+]C4)CCN1CC1CC1 ZINC000106272210 132240294 /nfs/dbraw/zinc/24/02/94/132240294.db2.gz GPKIHCMGNQOVRI-AWEZNQCLSA-N 1 3 373.526 1.620 50 0 FDAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCC(N)=O ZINC000005206395 518334906 /nfs/dbraw/zinc/33/49/06/518334906.db2.gz CRBKDBYHJOXKTN-UHFFFAOYSA-N 1 3 374.279 1.363 50 0 FDAAHO COCCN(C)CCN1CC2(CC[NH+]([C@H]3CCCOC3)CC2)OC1=O ZINC000072419554 522246813 /nfs/dbraw/zinc/24/68/13/522246813.db2.gz QDQHWUBPPHAFNZ-INIZCTEOSA-N 1 3 355.479 1.030 50 0 FDAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3cnc(N(C)C)s3)CC[C@H]21 ZINC000072419650 522248769 /nfs/dbraw/zinc/24/87/69/522248769.db2.gz PYQUMAVXVFZFOL-DZGCQCFKSA-N 1 3 351.520 1.241 50 0 FDAAHO COc1c(C)cnc(CN(C)C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)c1C ZINC000072426758 522261399 /nfs/dbraw/zinc/26/13/99/522261399.db2.gz FHBDAWRIDCOMFD-KRWDZBQOSA-N 1 3 360.502 1.739 50 0 FDAAHO C[C@H](C1CCN(Cc2cccc(OCC(N)=O)c2)CC1)[NH+]1CCN(C)CC1 ZINC000077286156 523284330 /nfs/dbraw/zinc/28/43/30/523284330.db2.gz ZUACUMXBHQOVEU-QGZVFWFLSA-N 1 3 374.529 1.399 50 0 FDAAHO Cn1nc([C@@H]2CCCN(CC3CC[NH2+]CC3)C2)n(-c2ccccc2)c1=O ZINC000067541119 523487888 /nfs/dbraw/zinc/48/78/88/523487888.db2.gz FZHIEMGQWQJEFO-QGZVFWFLSA-N 1 3 355.486 1.750 50 0 FDAAHO CCn1c(Cn2ccnc2C)nnc1C1CCN(C2CC[NH2+]CC2)CC1 ZINC000092097700 524847286 /nfs/dbraw/zinc/84/72/86/524847286.db2.gz ZRXPGXKFJVYRRU-UHFFFAOYSA-N 1 3 357.506 1.783 50 0 FDAAHO CCN1CCN(CCOc2ccccc2CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000215835230 537441439 /nfs/dbraw/zinc/44/14/39/537441439.db2.gz QEZLYZCBCNGSGJ-BGYRXZFFSA-N 1 3 358.530 1.354 50 0 FDAAHO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)NC1CCN(CCO)CC1 ZINC000584885204 551564482 /nfs/dbraw/zinc/56/44/82/551564482.db2.gz HNUQUZLMPHFMBN-UHFFFAOYSA-N 1 3 374.529 1.881 50 0 FDAAHO Cc1ccc2cc(C[N@@H+]3CCC[C@@H](Cn4cc(CN)nn4)C3)c(=O)[nH]c2c1 ZINC000023340130 785655253 /nfs/dbraw/zinc/65/52/53/785655253.db2.gz GGXHKGWMAJUEAQ-OAHLLOKOSA-N 1 3 366.469 1.799 50 0 FDAAHO Cc1ccc2cc(C[N@H+]3CCC[C@@H](Cn4cc(CN)nn4)C3)c(=O)[nH]c2c1 ZINC000023340130 785655258 /nfs/dbraw/zinc/65/52/58/785655258.db2.gz GGXHKGWMAJUEAQ-OAHLLOKOSA-N 1 3 366.469 1.799 50 0 FDAAHO CC[NH+]1CCC(N2C[C@@H](CO)[C@H](c3nc(-c4ccncc4)no3)C2)CC1 ZINC000257187077 793957069 /nfs/dbraw/zinc/95/70/69/793957069.db2.gz LHBJKFKOTBZJKI-DOTOQJQBSA-N 1 3 357.458 1.624 50 0 FDAAHO Cc1nn(C)c(C)c1CN1CCC2(C[C@@H](C(=O)N3CCCC3)[N@H+](C)C2)CC1 ZINC000675011163 795204695 /nfs/dbraw/zinc/20/46/95/795204695.db2.gz PYBFEJMXPPOOIH-IBGZPJMESA-N 1 3 373.545 1.946 50 0 FDAAHO Cc1nn(C)c(C)c1CN1CCC2(C[C@@H](C(=O)N3CCCC3)[N@@H+](C)C2)CC1 ZINC000675011163 795204696 /nfs/dbraw/zinc/20/46/96/795204696.db2.gz PYBFEJMXPPOOIH-IBGZPJMESA-N 1 3 373.545 1.946 50 0 FDAAHO O=C(CN1CCCCCC1)NC[C@@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000952870200 960215880 /nfs/dbraw/zinc/21/58/80/960215880.db2.gz XIDRDNKVOUCGDE-IBGZPJMESA-N 1 3 361.534 1.977 50 0 FDAAHO O=C(CN1CCCCCC1)NC[C@@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000952870200 960215892 /nfs/dbraw/zinc/21/58/92/960215892.db2.gz XIDRDNKVOUCGDE-IBGZPJMESA-N 1 3 361.534 1.977 50 0 FDAAHO [NH3+]Cc1cn(C2CCN(Cc3cncn3Cc3ccccc3)CC2)nn1 ZINC000023192686 211380574 /nfs/dbraw/zinc/38/05/74/211380574.db2.gz MBEAEOFWNISYQR-UHFFFAOYSA-N 1 3 351.458 1.819 50 0 FDAAHO CN(C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H](COc3ccc4c(c3)CCC4)C2)C1 ZINC000014732232 211098650 /nfs/dbraw/zinc/09/86/50/211098650.db2.gz FVWZFJBUNRTOJZ-DBVUQKKJSA-N 1 3 371.525 1.942 50 0 FDAAHO C[NH+](C)C1(CNc2nc(-c3cccnc3)nc3c2CCNC3)CCOCC1 ZINC000067724238 221276124 /nfs/dbraw/zinc/27/61/24/221276124.db2.gz GHEHGUXCJDAYGD-UHFFFAOYSA-N 1 3 368.485 1.707 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N3[C@@H]4CC[C@H]3C[NH2+]CC4)cnn2c1 ZINC000067919795 221303885 /nfs/dbraw/zinc/30/38/85/221303885.db2.gz KVWPCEKAMHXIJN-CVEARBPZSA-N 1 3 356.474 1.538 50 0 FDAAHO NC(=O)C1CCN(Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000001661015 518234487 /nfs/dbraw/zinc/23/44/87/518234487.db2.gz ATMCJGQBAGGLLI-UHFFFAOYSA-N 1 3 358.486 1.081 50 0 FDAAHO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000084638303 521854539 /nfs/dbraw/zinc/85/45/39/521854539.db2.gz MRZBDYPIKGCRGU-APWZRJJASA-N 1 3 351.466 1.467 50 0 FDAAHO [NH3+]CCN1C(=O)CC[C@H]2CN(Cc3cccn3-c3nccs3)CC[C@H]21 ZINC000072418231 522246836 /nfs/dbraw/zinc/24/68/36/522246836.db2.gz XDKSSSMBXINAOV-GOEBONIOSA-N 1 3 359.499 1.705 50 0 FDAAHO C[NH+](C)CCNC(=O)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256300 522795770 /nfs/dbraw/zinc/79/57/70/522795770.db2.gz MEPTXSSNKMURPB-GOSISDBHSA-N 1 3 353.470 1.524 50 0 FDAAHO O=C([C@@H]1CCCN(C2CC[NH+](C3CCOCC3)CC2)C1)N1CCOCC1 ZINC000082116244 524213124 /nfs/dbraw/zinc/21/31/24/524213124.db2.gz LXYKZKNKTHXRRI-QGZVFWFLSA-N 1 3 365.518 1.201 50 0 FDAAHO CN1CCN(C[C@@H](O)COc2ccc(C[NH+]3CCC(F)CC3)cc2)CC1 ZINC000095527100 525102705 /nfs/dbraw/zinc/10/27/05/525102705.db2.gz HFAUJTUCKIKZKZ-LJQANCHMSA-N 1 3 365.493 1.608 50 0 FDAAHO [NH3+]CCOc1ccc(Cl)cc1C(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000426493938 571228304 /nfs/dbraw/zinc/22/83/04/571228304.db2.gz FBMVXDWTMPIICC-HOTGVXAUSA-N 1 3 367.877 1.349 50 0 FDAAHO Cc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCOCC4)N(C)C3)CC2)o1 ZINC000581803457 927600177 /nfs/dbraw/zinc/60/01/77/927600177.db2.gz YVTJMDCXXRCLSQ-SFHVURJKSA-N 1 3 361.486 1.733 50 0 FDAAHO O=C(N1CCN(c2cccnc2)CC1)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000096180014 132221821 /nfs/dbraw/zinc/22/18/21/132221821.db2.gz JRGAXNGCVMCFMU-DYESRHJHSA-N 1 3 369.513 1.194 50 0 FDAAHO O=C(N1CCN(c2cccnc2)CC1)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000096180014 132221823 /nfs/dbraw/zinc/22/18/23/132221823.db2.gz JRGAXNGCVMCFMU-DYESRHJHSA-N 1 3 369.513 1.194 50 0 FDAAHO CCN1CCN(Cc2ccccc2CNC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000071923101 172040073 /nfs/dbraw/zinc/04/00/73/172040073.db2.gz JRDVAJPTKLVJAA-UHFFFAOYSA-N 1 3 373.545 1.718 50 0 FDAAHO COc1cccc([C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000102573948 222299716 /nfs/dbraw/zinc/29/97/16/222299716.db2.gz NBJDATBAEDQKEO-HQZYFCCVSA-N 1 3 367.493 1.549 50 0 FDAAHO CN1CCN(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000044913694 522017996 /nfs/dbraw/zinc/01/79/96/522017996.db2.gz CZEUQVRZGXLVLL-UHFFFAOYSA-N 1 3 358.530 1.652 50 0 FDAAHO Cc1cccnc1CN1CCN(C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072407961 522237335 /nfs/dbraw/zinc/23/73/35/522237335.db2.gz GNHBDLAKCQADRU-LJQANCHMSA-N 1 3 371.529 1.108 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)N1CCC(Oc3ccncc3)CC1)CC[NH2+]CC2 ZINC000072438824 522276810 /nfs/dbraw/zinc/27/68/10/522276810.db2.gz SHUUWGLEMHIHDX-GOSISDBHSA-N 1 3 358.486 1.525 50 0 FDAAHO CCCN1CC2(C[C@H]1C(=O)NCCn1ccnc1CC)CC[NH+](C)CC2 ZINC000072478956 522304236 /nfs/dbraw/zinc/30/42/36/522304236.db2.gz SNQBFVITJAGYRP-KRWDZBQOSA-N 1 3 361.534 1.758 50 0 FDAAHO CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1cccc(-c2c[nH+]ccc2N)c1 ZINC000426501758 571228944 /nfs/dbraw/zinc/22/89/44/571228944.db2.gz KTDNMKHRERPBNO-OALUTQOASA-N 1 3 354.454 1.999 50 0 FDAAHO O=C(NCc1nnc2n1CCCCC2)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065433893 221218786 /nfs/dbraw/zinc/21/87/86/221218786.db2.gz PCYKVAODEVZKIE-FOIQADDNSA-N 1 3 372.517 1.085 50 0 FDAAHO O=C(NCc1nnc2n1CCCCC2)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065433893 221218788 /nfs/dbraw/zinc/21/87/88/221218788.db2.gz PCYKVAODEVZKIE-FOIQADDNSA-N 1 3 372.517 1.085 50 0 FDAAHO Cc1sc2nc(CC[NH3+])nc(NC[C@H]3CCCN(CCO)C3)c2c1C ZINC000065460507 221221924 /nfs/dbraw/zinc/22/19/24/221221924.db2.gz JVBSGHBRSDUIFW-CQSZACIVSA-N 1 3 363.531 1.926 50 0 FDAAHO OCC[C@@H]1CN(c2ncnc3sc4c(c32)CC[NH2+]C4)CCN1CC1CC1 ZINC000065497749 221226971 /nfs/dbraw/zinc/22/69/71/221226971.db2.gz GPKIHCMGNQOVRI-CQSZACIVSA-N 1 3 373.526 1.620 50 0 FDAAHO Cc1cc(C[NH+]2CCC([C@@H](C)N3CCOCC3)CC2)c(C)n1-n1cnnc1 ZINC000067758765 221282781 /nfs/dbraw/zinc/28/27/81/221282781.db2.gz ZGMVCRRDJUJQDO-QGZVFWFLSA-N 1 3 372.517 1.941 50 0 FDAAHO Cc1ncc2c(c1CNC[C@@]1(O)CCCN(CC3CCC3)C1=O)CC[NH2+]C2 ZINC000067785999 221284380 /nfs/dbraw/zinc/28/43/80/221284380.db2.gz GKTCRVFGBQZUNN-NRFANRHFSA-N 1 3 372.513 1.279 50 0 FDAAHO CC[C@H]1CN(c2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)CC[NH2+]1 ZINC000071750471 136140120 /nfs/dbraw/zinc/14/01/20/136140120.db2.gz MLFLFSRBEWXSTN-HNNXBMFYSA-N 1 3 366.469 1.076 50 0 FDAAHO CC[NH+]1CCC(N2CCC(c3nnc(Cn4ccnc4)n3C)CC2)CC1 ZINC000091624708 521568613 /nfs/dbraw/zinc/56/86/13/521568613.db2.gz GSKREZBTWZVDGF-UHFFFAOYSA-N 1 3 357.506 1.724 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)NC1CCN(Cc3cccnc3)CC1)CC[NH2+]CC2 ZINC000072411631 522245800 /nfs/dbraw/zinc/24/58/00/522245800.db2.gz PCPFGMDDQNSPFK-IBGZPJMESA-N 1 3 371.529 1.236 50 0 FDAAHO COCCN(C)CCN1CC2(CC[NH+]([C@@H]3CCSC3)CC2)OC1=O ZINC000072418118 522247378 /nfs/dbraw/zinc/24/73/78/522247378.db2.gz YTJNBCGAIVIVKV-OAHLLOKOSA-N 1 3 357.520 1.357 50 0 FDAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1nc(C)cc(C)n1)CC[NH+](C)CC2 ZINC000072440749 522279370 /nfs/dbraw/zinc/27/93/70/522279370.db2.gz RBPSNJXWFRAHNE-GOSISDBHSA-N 1 3 373.545 1.948 50 0 FDAAHO COc1ccccc1NC(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000108147895 570903522 /nfs/dbraw/zinc/90/35/22/570903522.db2.gz JBAAVTAVWKTNMZ-IEBWSBKVSA-N 1 3 374.529 1.982 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)N1CCc3[nH]nc(C4CCC4)c3C1)CC[NH2+]CC2 ZINC000072479429 522303841 /nfs/dbraw/zinc/30/38/41/522303841.db2.gz QGHPQGJAINWTGV-KRWDZBQOSA-N 1 3 357.502 1.636 50 0 FDAAHO [NH3+]CCN1C(=O)CC[C@H]2CN(Cc3ccc(-c4cc[nH]n4)s3)CC[C@H]21 ZINC000072479791 522306244 /nfs/dbraw/zinc/30/62/44/522306244.db2.gz JMWSLLANSMFSIV-XJKSGUPXSA-N 1 3 359.499 1.910 50 0 FDAAHO COc1ccccc1NC(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000095449878 525070623 /nfs/dbraw/zinc/07/06/23/525070623.db2.gz JBAAVTAVWKTNMZ-HKUYNNGSSA-N 1 3 374.529 1.982 50 0 FDAAHO O=C(NCc1cc2n(n1)CCC[NH2+]C2)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000426534577 571230822 /nfs/dbraw/zinc/23/08/22/571230822.db2.gz YCPNFRYOTIBXCV-QGZVFWFLSA-N 1 3 368.485 1.450 50 0 FDAAHO CCn1c(CCNC(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)nc2ccccc21 ZINC000072407498 522237218 /nfs/dbraw/zinc/23/72/18/522237218.db2.gz LJYLYCDJYLNKID-GOSISDBHSA-N 1 3 369.513 1.789 50 0 FDAAHO C[NH+](C)CCCNC(=O)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC000065256135 522797006 /nfs/dbraw/zinc/79/70/06/522797006.db2.gz PWRIETZSKHGKJG-LJQANCHMSA-N 1 3 367.497 1.914 50 0 FDAAHO COC(=O)C1CCN(C[C@H](O)COc2cccc(C[NH+]3CCC3)c2)CC1 ZINC000095506928 525089934 /nfs/dbraw/zinc/08/99/34/525089934.db2.gz GJEGRSVACMKJLP-SFHVURJKSA-N 1 3 362.470 1.517 50 0 FDAAHO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)CN1CCCN(C)CC1 ZINC000222257517 537504513 /nfs/dbraw/zinc/50/45/13/537504513.db2.gz XPOUSJYAVKEZIB-UHFFFAOYSA-N 1 3 358.530 1.878 50 0 FDAAHO CCn1c(CN2CCC(CN3CCOCC3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244811405 537653620 /nfs/dbraw/zinc/65/36/20/537653620.db2.gz SCANZRNINXSYDJ-CALCHBBNSA-N 1 3 362.522 1.047 50 0 FDAAHO O=C(NC1CCN(C[C@H]2CCCO2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584891087 551565504 /nfs/dbraw/zinc/56/55/04/551565504.db2.gz AGFNKXDMXFRFTM-LJQANCHMSA-N 1 3 373.501 1.557 50 0 FDAAHO COCCCCN1CCN([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000023337203 785659280 /nfs/dbraw/zinc/65/92/80/785659280.db2.gz VDPUGHRMEICOQR-RTWAWAEBSA-N 1 3 373.541 1.768 50 0 FDAAHO Cc1ccc(CNC(=O)CCN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC000065382154 221207399 /nfs/dbraw/zinc/20/73/99/221207399.db2.gz AQSRKTJTTAOYHG-UHFFFAOYSA-N 1 3 372.557 1.961 50 0 FDAAHO O=C1N[C@](c2ccccn2)(C2CC[NH2+]CC2)C(=O)N1CCN1CCCCC1 ZINC000067786337 221286279 /nfs/dbraw/zinc/28/62/79/221286279.db2.gz QHZRJSXPGPNLJO-FQEVSTJZSA-N 1 3 371.485 1.314 50 0 FDAAHO NCC(=O)N1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000071763409 221369913 /nfs/dbraw/zinc/36/99/13/221369913.db2.gz CHHMMXKDFYJLLX-UHFFFAOYSA-N 1 3 372.513 1.007 50 0 FDAAHO Nc1nc2c(c(NC[C@@H]3CCCN(Cc4ccco4)C3)n1)CC[NH2+]CC2 ZINC000072410267 522242425 /nfs/dbraw/zinc/24/24/25/522242425.db2.gz WJCOEGJKJCDPBU-AWEZNQCLSA-N 1 3 356.474 1.664 50 0 FDAAHO CN(Cc1nc2ccccc2n1C)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072421850 522253274 /nfs/dbraw/zinc/25/32/74/522253274.db2.gz FRNQVZDZRTVJIZ-QGZVFWFLSA-N 1 3 355.486 1.606 50 0 FDAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1nc(C)cc(C)n1)CC[NH+](C)CC2 ZINC000072440751 522278805 /nfs/dbraw/zinc/27/88/05/522278805.db2.gz RBPSNJXWFRAHNE-SFHVURJKSA-N 1 3 373.545 1.948 50 0 FDAAHO C[NH+](C)CCCNC(=O)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000065255796 522795870 /nfs/dbraw/zinc/79/58/70/522795870.db2.gz RTAYIIFASVCHTA-IBGZPJMESA-N 1 3 367.497 1.914 50 0 FDAAHO C[NH+](C)CCNC(=O)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255967 522796595 /nfs/dbraw/zinc/79/65/95/522796595.db2.gz PLKXXOLLQYXSHS-SFHVURJKSA-N 1 3 353.470 1.524 50 0 FDAAHO CCN1CCN(CCOc2ccccc2CN2CCC[N@H+](C)CC2)CC1 ZINC000223387692 537524795 /nfs/dbraw/zinc/52/47/95/537524795.db2.gz URQTZZIGSYDHHM-UHFFFAOYSA-N 1 3 360.546 1.840 50 0 FDAAHO CCN1CCN(CCOc2ccccc2CN2CCC[N@@H+](C)CC2)CC1 ZINC000223387692 537524802 /nfs/dbraw/zinc/52/48/02/537524802.db2.gz URQTZZIGSYDHHM-UHFFFAOYSA-N 1 3 360.546 1.840 50 0 FDAAHO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)N1CCCN(C2CCCC2)CC1 ZINC000426578892 571232234 /nfs/dbraw/zinc/23/22/34/571232234.db2.gz XTQUEHWWNHYZGA-KRWDZBQOSA-N 1 3 359.518 1.827 50 0 FDAAHO NCC(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OCc1cccnc1 ZINC000072144796 522170314 /nfs/dbraw/zinc/17/03/14/522170314.db2.gz HDOFEAWZOFPHAG-UXHICEINSA-N 1 3 366.465 1.418 50 0 FDAAHO Cc1nccn1CCC1CCN(C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072409116 522239505 /nfs/dbraw/zinc/23/95/05/522239505.db2.gz WRZRCDPPMMRDGY-LJQANCHMSA-N 1 3 373.545 1.894 50 0 FDAAHO C[NH+](C)CCCNC(=O)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256296 522795072 /nfs/dbraw/zinc/79/50/72/522795072.db2.gz PQRBASGKGVDCIS-LJQANCHMSA-N 1 3 367.497 1.914 50 0 FDAAHO Cc1cc(C)c(C[N@@H+]2CCOC[C@H](CO)C2)cc1CN1CCN(C)CC1 ZINC000077322241 523296455 /nfs/dbraw/zinc/29/64/55/523296455.db2.gz LBTWMYOKDZXDIE-IBGZPJMESA-N 1 3 361.530 1.492 50 0 FDAAHO Cc1cc(C)c(C[N@H+]2CCOC[C@H](CO)C2)cc1CN1CCN(C)CC1 ZINC000077322241 523296463 /nfs/dbraw/zinc/29/64/63/523296463.db2.gz LBTWMYOKDZXDIE-IBGZPJMESA-N 1 3 361.530 1.492 50 0 FDAAHO CCn1nc(C)c(C[N@@H+]2C[C@H](CO)[C@H](CN3CCN(CC)CC3)C2)c1C ZINC000095365942 525042636 /nfs/dbraw/zinc/04/26/36/525042636.db2.gz CUCBGFUDPFRFHW-RTBURBONSA-N 1 3 363.550 1.198 50 0 FDAAHO CCn1nc(C)c(C[N@H+]2C[C@H](CO)[C@H](CN3CCN(CC)CC3)C2)c1C ZINC000095365942 525042644 /nfs/dbraw/zinc/04/26/44/525042644.db2.gz CUCBGFUDPFRFHW-RTBURBONSA-N 1 3 363.550 1.198 50 0 FDAAHO COCCN1CCC(CN(Cc2ccncc2)C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000095526058 525103420 /nfs/dbraw/zinc/10/34/20/525103420.db2.gz YHZACMVQCWHPMY-LJQANCHMSA-N 1 3 360.502 1.378 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)N1CCOCC1)CC[NH+](Cc1cccnc1)CC2 ZINC000581802336 927587011 /nfs/dbraw/zinc/58/70/11/927587011.db2.gz FMIMGFLEKGJGHP-GOSISDBHSA-N 1 3 358.486 1.227 50 0 FDAAHO NC(=O)COc1ccc(C[NH2+]CCCN2CCC[C@H](O)C2)cc1Cl ZINC000952975853 960272292 /nfs/dbraw/zinc/27/22/92/960272292.db2.gz XVPFJWUXNBLNMF-AWEZNQCLSA-N 1 3 355.866 1.141 50 0 FDAAHO Cc1cc(N2CCN(C(=O)C3([NH+]4CCCC4)CCCC3)CC2)nc(N)n1 ZINC000065470355 136136532 /nfs/dbraw/zinc/13/65/32/136136532.db2.gz COYNFESPNKBQKF-UHFFFAOYSA-N 1 3 358.490 1.424 50 0 FDAAHO COCCC[NH+]1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082109463 523293672 /nfs/dbraw/zinc/29/36/72/523293672.db2.gz BKVJKLFNJXRNOQ-QGZVFWFLSA-N 1 3 353.507 1.058 50 0 FDAAHO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](C4CCNCC4)C3)CCC2=O)cn1 ZINC000077394426 523323376 /nfs/dbraw/zinc/32/33/76/523323376.db2.gz FDMWRWBYOHSWQY-FQEVSTJZSA-N 1 3 357.502 1.742 50 0 FDAAHO Cc1cnc(CN2C[C@@]3(CCC[N@H+](C4CCNCC4)C3)CCC2=O)cn1 ZINC000077394426 523323387 /nfs/dbraw/zinc/32/33/87/523323387.db2.gz FDMWRWBYOHSWQY-FQEVSTJZSA-N 1 3 357.502 1.742 50 0 FDAAHO CN1CCC[N@H+](C[C@@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]2CO)CC1 ZINC000091604966 523807147 /nfs/dbraw/zinc/80/71/47/523807147.db2.gz JTTYZNHPQDGEES-IAGOWNOFSA-N 1 3 373.501 1.348 50 0 FDAAHO CN1CCC[N@@H+](C[C@@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]2CO)CC1 ZINC000091604966 523807153 /nfs/dbraw/zinc/80/71/53/523807153.db2.gz JTTYZNHPQDGEES-IAGOWNOFSA-N 1 3 373.501 1.348 50 0 FDAAHO COCC[N@@H+]1CC[C@H](CNc2nc(-c3ccccn3)nc3c2CCNC3)C1 ZINC000091950538 524815492 /nfs/dbraw/zinc/81/54/92/524815492.db2.gz WKBCKAVUJMJGOW-OAHLLOKOSA-N 1 3 368.485 1.565 50 0 FDAAHO COCC[N@H+]1CC[C@H](CNc2nc(-c3ccccn3)nc3c2CCNC3)C1 ZINC000091950538 524815501 /nfs/dbraw/zinc/81/55/01/524815501.db2.gz WKBCKAVUJMJGOW-OAHLLOKOSA-N 1 3 368.485 1.565 50 0 FDAAHO CCOc1ccc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cc1 ZINC000092077839 524845401 /nfs/dbraw/zinc/84/54/01/524845401.db2.gz ZQYZQFWBPVNXBM-WOJBJXKFSA-N 1 3 361.530 1.763 50 0 FDAAHO CCOc1ccc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)cc1 ZINC000092077839 524845403 /nfs/dbraw/zinc/84/54/03/524845403.db2.gz ZQYZQFWBPVNXBM-WOJBJXKFSA-N 1 3 361.530 1.763 50 0 FDAAHO CCN1CCN(C[C@@H]2C[N@H+](Cc3cc4ccccc4n3C)C[C@@H]2CO)CC1 ZINC000095379409 525052744 /nfs/dbraw/zinc/05/27/44/525052744.db2.gz KQLCGZSAAQPBJH-WOJBJXKFSA-N 1 3 370.541 1.856 50 0 FDAAHO CCN1CCN(C[C@@H]2C[N@@H+](Cc3cc4ccccc4n3C)C[C@@H]2CO)CC1 ZINC000095379409 525052751 /nfs/dbraw/zinc/05/27/51/525052751.db2.gz KQLCGZSAAQPBJH-WOJBJXKFSA-N 1 3 370.541 1.856 50 0 FDAAHO CSCCC[NH+]1CCC(N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082135229 525447750 /nfs/dbraw/zinc/44/77/50/525447750.db2.gz CCCAONUVQZLTRM-QGZVFWFLSA-N 1 3 369.575 1.775 50 0 FDAAHO CCN1CCN(CC(=O)NCC2(N3CCOCC3)CCCCCC2)CC1 ZINC000823112905 921374298 /nfs/dbraw/zinc/37/42/98/921374298.db2.gz OOJIHRQJIQWRQR-UHFFFAOYSA-N 1 3 366.550 1.165 50 0 FDAAHO CCN1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCCC2)CC1 ZINC000823112905 921374314 /nfs/dbraw/zinc/37/43/14/921374314.db2.gz OOJIHRQJIQWRQR-UHFFFAOYSA-N 1 3 366.550 1.165 50 0 FDAAHO C[NH+]1CCC(C)(C(=O)N2CCC[C@H](Cn3cc(C(C)(C)N)nn3)C2)CC1 ZINC000048200621 221001154 /nfs/dbraw/zinc/00/11/54/221001154.db2.gz UHTMNYFUWNNQDY-HNNXBMFYSA-N 1 3 362.522 1.442 50 0 FDAAHO NCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071498371 221350217 /nfs/dbraw/zinc/35/02/17/221350217.db2.gz JLFMWEPUHVJACY-GOSISDBHSA-N 1 3 372.513 1.007 50 0 FDAAHO NCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071498371 221350220 /nfs/dbraw/zinc/35/02/20/221350220.db2.gz JLFMWEPUHVJACY-GOSISDBHSA-N 1 3 372.513 1.007 50 0 FDAAHO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N2C[C@@]3(C)CN(C)C[C@@](C)(C2)C3O)n1 ZINC000067689057 136137508 /nfs/dbraw/zinc/13/75/08/136137508.db2.gz DDSMAKDNDNFUCB-MIJOPJBOSA-N 1 3 359.518 1.391 50 0 FDAAHO CC[C@@H]1CN(c2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)CC[NH2+]1 ZINC000071750470 136140169 /nfs/dbraw/zinc/14/01/69/136140169.db2.gz MLFLFSRBEWXSTN-OAHLLOKOSA-N 1 3 366.469 1.076 50 0 FDAAHO COc1ccccc1N1CCN(C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072407163 136145105 /nfs/dbraw/zinc/14/51/05/136145105.db2.gz HCHJVORBGPGNLG-GOSISDBHSA-N 1 3 372.513 1.418 50 0 FDAAHO Cn1cncc1CN1CCC2(CC[NH+](C3CCOCC3)CC2)[C@@H](CO)C1 ZINC000097717217 222207698 /nfs/dbraw/zinc/20/76/98/222207698.db2.gz WIYUQMVJMPZANO-QGZVFWFLSA-N 1 3 362.518 1.496 50 0 FDAAHO COc1ccc(CN2CCC(C(=O)NCCC[NH+](C)C)CC2)cc1OC ZINC000004725435 518308477 /nfs/dbraw/zinc/30/84/77/518308477.db2.gz GRJBAMQJEPGOQL-UHFFFAOYSA-N 1 3 363.502 1.984 50 0 FDAAHO Cc1ccc2c(c1)c(CNC(=O)[C@@H]1CC3(CN1C)CC[NH2+]CC3)nn2C ZINC000072453753 522283248 /nfs/dbraw/zinc/28/32/48/522283248.db2.gz ZBHTYPUSHAXLGX-SFHVURJKSA-N 1 3 355.486 1.572 50 0 FDAAHO COc1cccc2c1OCCCN(C(=O)[C@H]1CC3(CN1C)CC[NH2+]CC3)C2 ZINC000072458067 522284185 /nfs/dbraw/zinc/28/41/85/522284185.db2.gz OMKDBGBXMDWHIX-QGZVFWFLSA-N 1 3 373.497 1.880 50 0 FDAAHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584891086 551565440 /nfs/dbraw/zinc/56/54/40/551565440.db2.gz AGFNKXDMXFRFTM-IBGZPJMESA-N 1 3 373.501 1.557 50 0 FDAAHO COc1ccc(CNCC2(C)COC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000015075987 220145980 /nfs/dbraw/zinc/14/59/80/220145980.db2.gz OPYRAKMJXFGQCZ-KRWDZBQOSA-N 1 3 364.486 1.657 50 0 FDAAHO CN1CCCN(CCn2c3ccccc3oc2=O)CC12CC[NH+](C)CC2 ZINC000067920880 221305681 /nfs/dbraw/zinc/30/56/81/221305681.db2.gz MVEHNKZWIUQFMV-UHFFFAOYSA-N 1 3 358.486 1.696 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cnn2c1 ZINC000071278548 221337427 /nfs/dbraw/zinc/33/74/27/221337427.db2.gz TUVALERLKACOBH-MRXNPFEDSA-N 1 3 356.474 1.491 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cnn2c1 ZINC000071278548 221337430 /nfs/dbraw/zinc/33/74/30/221337430.db2.gz TUVALERLKACOBH-MRXNPFEDSA-N 1 3 356.474 1.491 50 0 FDAAHO NC1CN(C(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)C1 ZINC000071738840 221358157 /nfs/dbraw/zinc/35/81/57/221358157.db2.gz VKAYCSXJZADWHW-IBGZPJMESA-N 1 3 370.541 1.575 50 0 FDAAHO NC1CN(C(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)C1 ZINC000071738840 221358159 /nfs/dbraw/zinc/35/81/59/221358159.db2.gz VKAYCSXJZADWHW-IBGZPJMESA-N 1 3 370.541 1.575 50 0 FDAAHO COCc1nc(C2CC([NH3+])C2)cc(N2CCN(c3ccncc3)CC2)n1 ZINC000223330110 132279320 /nfs/dbraw/zinc/27/93/20/132279320.db2.gz SBMWBMSWGWXVSR-UHFFFAOYSA-N 1 3 354.458 1.549 50 0 FDAAHO CSc1ncc(CNC(=O)[C@@]23CNC[C@@H]2C[N@@H+](C2CCCC2)C3)n1C ZINC000096138444 222042934 /nfs/dbraw/zinc/04/29/34/222042934.db2.gz IQVGFRLHZSLOJS-FZKQIMNGSA-N 1 3 363.531 1.222 50 0 FDAAHO CSc1ncc(CNC(=O)[C@@]23CNC[C@@H]2C[N@H+](C2CCCC2)C3)n1C ZINC000096138444 222042938 /nfs/dbraw/zinc/04/29/38/222042938.db2.gz IQVGFRLHZSLOJS-FZKQIMNGSA-N 1 3 363.531 1.222 50 0 FDAAHO COc1cccc2c1OCCCN(C(=O)[C@@H]1CC3(CN1C)CC[NH2+]CC3)C2 ZINC000072458069 522285102 /nfs/dbraw/zinc/28/51/02/522285102.db2.gz OMKDBGBXMDWHIX-KRWDZBQOSA-N 1 3 373.497 1.880 50 0 FDAAHO O=C(CCc1cc2n(n1)CCCNC2)Nc1cccc(C2=[NH+]CCN2)c1 ZINC000072456880 522285232 /nfs/dbraw/zinc/28/52/32/522285232.db2.gz KWMGWCPOCOBENJ-UHFFFAOYSA-N 1 3 352.442 1.298 50 0 FDAAHO C[NH+](C)CCNC(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065255968 522795049 /nfs/dbraw/zinc/79/50/49/522795049.db2.gz PLKXXOLLQYXSHS-GOSISDBHSA-N 1 3 353.470 1.524 50 0 FDAAHO CN(CC1CCN(CCO)CC1)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095382879 525058448 /nfs/dbraw/zinc/05/84/48/525058448.db2.gz XWFPXUMVSCHIPA-FQEVSTJZSA-N 1 3 359.514 1.930 50 0 FDAAHO CN1CCOC[C@H](CNC(=O)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000299785901 529780812 /nfs/dbraw/zinc/78/08/12/529780812.db2.gz MOQHQCUJKJTTTO-HXUWFJFHSA-N 1 3 359.514 1.983 50 0 FDAAHO COc1ccc(CNCCn2cccn2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000015063315 220143595 /nfs/dbraw/zinc/14/35/95/220143595.db2.gz ZYZHGLLVZJWNLV-SFHVURJKSA-N 1 3 374.485 1.517 50 0 FDAAHO Cc1cc(N2CCC([NH+]3CCN(c4ccccc4O)CC3)CC2)nc(N)n1 ZINC000095360672 132207716 /nfs/dbraw/zinc/20/77/16/132207716.db2.gz QJNCLKWZPPXVGN-UHFFFAOYSA-N 1 3 368.485 1.864 50 0 FDAAHO Cc1cc(N2CCC(N3CCN(c4ccccc4O)CC3)CC2)nc(N)[nH+]1 ZINC000095360672 132207717 /nfs/dbraw/zinc/20/77/17/132207717.db2.gz QJNCLKWZPPXVGN-UHFFFAOYSA-N 1 3 368.485 1.864 50 0 FDAAHO O=C(NC1CC1)[C@@H]1CCCN(C2CC[NH+](CCCn3cccn3)CC2)C1 ZINC000012438555 518613501 /nfs/dbraw/zinc/61/35/01/518613501.db2.gz JXDQOLJBDJJDKI-QGZVFWFLSA-N 1 3 359.518 1.728 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)NCc1cccc(-n3cccn3)c1)CC[NH2+]CC2 ZINC000072435828 522275146 /nfs/dbraw/zinc/27/51/46/522275146.db2.gz CSOODYZFULSWEI-SFHVURJKSA-N 1 3 353.470 1.562 50 0 FDAAHO O=C1N[C@](Cc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1CCN1CCCC1 ZINC000299764265 534800650 /nfs/dbraw/zinc/80/06/50/534800650.db2.gz YXPKKVBLULGYPV-OAQYLSRUSA-N 1 3 370.497 1.615 50 0 FDAAHO Cc1cnc(CN2CC3(CCC2=O)CCN(C[C@H]2CCC[NH2+]C2)CC3)cn1 ZINC000092061515 524835095 /nfs/dbraw/zinc/83/50/95/524835095.db2.gz QKRUWXKQMYZHSX-SFHVURJKSA-N 1 3 371.529 1.989 50 0 FDAAHO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](C[C@H]2CCCNC2)CC3)cn1 ZINC000092061515 524835105 /nfs/dbraw/zinc/83/51/05/524835105.db2.gz QKRUWXKQMYZHSX-SFHVURJKSA-N 1 3 371.529 1.989 50 0 FDAAHO COc1ccccc1NC(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000095449877 525070121 /nfs/dbraw/zinc/07/01/21/525070121.db2.gz JBAAVTAVWKTNMZ-MJGOQNOKSA-N 1 3 374.529 1.982 50 0 FDAAHO CN(CCC(N)=O)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095507867 525090318 /nfs/dbraw/zinc/09/03/18/525090318.db2.gz OTOPOWSRHYPANF-SFHVURJKSA-N 1 3 363.502 1.610 50 0 FDAAHO Cc1ccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1OCC[NH3+] ZINC000426628878 571233976 /nfs/dbraw/zinc/23/39/76/571233976.db2.gz VRPAMFDRJCUQJW-UHFFFAOYSA-N 1 3 374.529 1.432 50 0 FDAAHO O=C(NCCN1CCCCC1)[C@@]1(CCO)CC[N@H+](Cc2ccccc2)C1 ZINC000257192186 864700001 /nfs/dbraw/zinc/70/00/01/864700001.db2.gz SWBNSSUVVDHIPB-OAQYLSRUSA-N 1 3 359.514 1.863 50 0 FDAAHO O=C(NCCN1CCCCC1)[C@@]1(CCO)CC[N@@H+](Cc2ccccc2)C1 ZINC000257192186 864700011 /nfs/dbraw/zinc/70/00/11/864700011.db2.gz SWBNSSUVVDHIPB-OAQYLSRUSA-N 1 3 359.514 1.863 50 0 FDAAHO CC(C)[NH+]1CCC(N2CCN(CCCn3cccn3)C[C@H]2CCO)CC1 ZINC000104325368 206237442 /nfs/dbraw/zinc/23/74/42/206237442.db2.gz LPXMOONOJGMNKE-HXUWFJFHSA-N 1 3 363.550 1.515 50 0 FDAAHO Cc1cc(C)n(CC2(CNC(=O)[C@@H]3CC4(CN3C)CC[NH2+]CC4)CC2)n1 ZINC000072419700 522247983 /nfs/dbraw/zinc/24/79/83/522247983.db2.gz ANYFYDGJJKTABE-KRWDZBQOSA-N 1 3 359.518 1.470 50 0 FDAAHO [NH3+]CCCN1C(=O)CC[C@H]2CN(Cc3ccc4nsnc4c3)CC[C@H]21 ZINC000072458278 522286918 /nfs/dbraw/zinc/28/69/18/522286918.db2.gz IOQQHKRWALDZCM-WMLDXEAASA-N 1 3 359.499 1.853 50 0 FDAAHO CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)C3(N)CC3)CC2)OC1=O ZINC000077287435 523285556 /nfs/dbraw/zinc/28/55/56/523285556.db2.gz HVTLAZVTBBTZSA-UHFFFAOYSA-N 1 3 366.506 1.269 50 0 FDAAHO CC(C)C[N@@H+](C)CCCN1CC2(CCN(C(=O)C3(N)CC3)CC2)OC1=O ZINC000077287435 523285560 /nfs/dbraw/zinc/28/55/60/523285560.db2.gz HVTLAZVTBBTZSA-UHFFFAOYSA-N 1 3 366.506 1.269 50 0 FDAAHO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 ZINC000077515969 523369354 /nfs/dbraw/zinc/36/93/54/523369354.db2.gz QVIFQELGSXHTTJ-SFHVURJKSA-N 1 3 354.454 1.704 50 0 FDAAHO O=C([C@H]1CCCN(C2CC[NH+](C3CCOCC3)CC2)C1)N1CCOCC1 ZINC000082116242 524214936 /nfs/dbraw/zinc/21/49/36/524214936.db2.gz LXYKZKNKTHXRRI-KRWDZBQOSA-N 1 3 365.518 1.201 50 0 FDAAHO Cn1cc(CC[NH+]2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)cn1 ZINC000091745492 524772401 /nfs/dbraw/zinc/77/24/01/524772401.db2.gz FKAWLRZHKOBJAW-SFHVURJKSA-N 1 3 359.518 1.371 50 0 FDAAHO C[NH+](C)CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000091877074 524805850 /nfs/dbraw/zinc/80/58/50/524805850.db2.gz HRFARELERBKKMR-MOPGFXCFSA-N 1 3 374.485 1.963 50 0 FDAAHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000426533896 571230553 /nfs/dbraw/zinc/23/05/53/571230553.db2.gz CCZDBRGTPDVHOZ-HXUWFJFHSA-N 1 3 371.529 1.340 50 0 FDAAHO CN1CCCN(CC(=O)NC[C@H]2CCC[N@@H+](C3CCSCC3)C2)CC1 ZINC000952861015 960187935 /nfs/dbraw/zinc/18/79/35/960187935.db2.gz BJXBIPZFPBAGAN-QGZVFWFLSA-N 1 3 368.591 1.348 50 0 FDAAHO CN1CCCN(CC(=O)NC[C@H]2CCC[N@H+](C3CCSCC3)C2)CC1 ZINC000952861015 960187947 /nfs/dbraw/zinc/18/79/47/960187947.db2.gz BJXBIPZFPBAGAN-QGZVFWFLSA-N 1 3 368.591 1.348 50 0 FDAAHO Cc1ccc(OCC[NH3+])c(C(=O)N2CCN(C3CCN(C)CC3)CC2)c1 ZINC000299790078 203773439 /nfs/dbraw/zinc/77/34/39/203773439.db2.gz ATKXMKOXPPAOPR-UHFFFAOYSA-N 1 3 360.502 1.185 50 0 FDAAHO CC[C@H]1CCCCN1CC(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1 ZINC000067787176 205391178 /nfs/dbraw/zinc/39/11/78/205391178.db2.gz YQCRZGMOEDUCOF-SFHVURJKSA-N 1 3 350.551 1.879 50 0 FDAAHO CC[C@H]1CCCCN1CC(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1 ZINC000067787176 205391181 /nfs/dbraw/zinc/39/11/81/205391181.db2.gz YQCRZGMOEDUCOF-SFHVURJKSA-N 1 3 350.551 1.879 50 0 FDAAHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000238099201 206113866 /nfs/dbraw/zinc/11/38/66/206113866.db2.gz ADWNSGRSIHEAKS-RDJZCZTQSA-N 1 3 367.877 1.022 50 0 FDAAHO COc1ccc(CNCCc2c[nH]cn2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000012196472 518596866 /nfs/dbraw/zinc/59/68/66/518596866.db2.gz HPSRQGSAUIJNAC-SFHVURJKSA-N 1 3 374.485 1.586 50 0 FDAAHO CN(C)CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071751791 522122831 /nfs/dbraw/zinc/12/28/31/522122831.db2.gz CUFDZHCACYLIRV-IBGZPJMESA-N 1 3 373.545 1.436 50 0 FDAAHO CN(C)CCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071751791 522122841 /nfs/dbraw/zinc/12/28/41/522122841.db2.gz CUFDZHCACYLIRV-IBGZPJMESA-N 1 3 373.545 1.436 50 0 FDAAHO OC[C@H]1CCCC[N@@H+]1CCNc1nc(-c2ccccn2)nc2c1CCNC2 ZINC000072162072 522188442 /nfs/dbraw/zinc/18/84/42/522188442.db2.gz UJTAPCMESXXXTE-OAHLLOKOSA-N 1 3 368.485 1.443 50 0 FDAAHO OC[C@H]1CCCC[N@H+]1CCNc1nc(-c2ccccn2)nc2c1CCNC2 ZINC000072162072 522188452 /nfs/dbraw/zinc/18/84/52/522188452.db2.gz UJTAPCMESXXXTE-OAHLLOKOSA-N 1 3 368.485 1.443 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)NC1CCN(Cc3ccccn3)CC1)CC[NH2+]CC2 ZINC000072428570 522264728 /nfs/dbraw/zinc/26/47/28/522264728.db2.gz DYACWGGERLEBSY-IBGZPJMESA-N 1 3 371.529 1.236 50 0 FDAAHO CN(CCNC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)CCc1ccccc1 ZINC000244701163 522864513 /nfs/dbraw/zinc/86/45/13/522864513.db2.gz KBIUUFYWZNVYAA-HDICACEKSA-N 1 3 370.501 1.625 50 0 FDAAHO CC[NH+]1CCC(CNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)(N(C)C)CC1 ZINC000095362182 525037985 /nfs/dbraw/zinc/03/79/85/525037985.db2.gz XRDCMPSXLYJVQV-GOSISDBHSA-N 1 3 364.509 1.961 50 0 FDAAHO Cc1ccc([C@@H]2CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000102795927 525307642 /nfs/dbraw/zinc/30/76/42/525307642.db2.gz OLWLCNAAINHYEH-HQZYFCCVSA-N 1 3 351.494 1.849 50 0 FDAAHO CCc1ccccc1N1CCN(C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072476213 535942930 /nfs/dbraw/zinc/94/29/30/535942930.db2.gz IJJUBQVOZRKBDZ-FQEVSTJZSA-N 1 3 370.541 1.972 50 0 FDAAHO Cc1cc(C)n(C2CN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)n1 ZINC000584900185 551567650 /nfs/dbraw/zinc/56/76/50/551567650.db2.gz VGSFCURREORQOW-UHFFFAOYSA-N 1 3 374.533 1.625 50 0 FDAAHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000426533892 571230603 /nfs/dbraw/zinc/23/06/03/571230603.db2.gz CCZDBRGTPDVHOZ-FQEVSTJZSA-N 1 3 371.529 1.340 50 0 FDAAHO CCn1cc(CN2CCC3(CC2)C[N@H+](C[C@H]2CCCOC2)CCO3)cn1 ZINC000823603667 921972354 /nfs/dbraw/zinc/97/23/54/921972354.db2.gz DHXVJPUQMQAARA-GOSISDBHSA-N 1 3 362.518 1.996 50 0 FDAAHO CCn1cc(CN2CCC3(CC2)C[N@@H+](C[C@H]2CCCOC2)CCO3)cn1 ZINC000823603667 921972355 /nfs/dbraw/zinc/97/23/55/921972355.db2.gz DHXVJPUQMQAARA-GOSISDBHSA-N 1 3 362.518 1.996 50 0 FDAAHO CN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(C[NH3+])cc1)CC2 ZINC000091662976 205685380 /nfs/dbraw/zinc/68/53/80/205685380.db2.gz JWLSDUPBAWFZLV-UHFFFAOYSA-N 1 3 372.513 1.552 50 0 FDAAHO Cc1cc(C)c(C[N@H+](C)C[C@H]2COCCO2)cc1CN1CCN(C)CC1 ZINC000215773438 206349587 /nfs/dbraw/zinc/34/95/87/206349587.db2.gz MZNZMWQBUIRYAB-NRFANRHFSA-N 1 3 361.530 1.898 50 0 FDAAHO Cc1cc(C)c(C[N@@H+](C)C[C@H]2COCCO2)cc1CN1CCN(C)CC1 ZINC000215773438 206349593 /nfs/dbraw/zinc/34/95/93/206349593.db2.gz MZNZMWQBUIRYAB-NRFANRHFSA-N 1 3 361.530 1.898 50 0 FDAAHO Cc1nccn1CCC1CCN(C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072409115 522240653 /nfs/dbraw/zinc/24/06/53/522240653.db2.gz WRZRCDPPMMRDGY-IBGZPJMESA-N 1 3 373.545 1.894 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)NCc1cnn(Cc3ccccc3)c1)CC[NH2+]CC2 ZINC000072422806 522254490 /nfs/dbraw/zinc/25/44/90/522254490.db2.gz SMFAUMDPDNPJOJ-IBGZPJMESA-N 1 3 367.497 1.622 50 0 FDAAHO CCCN1CC2(C[C@H]1C(=O)NCc1nnc3n1CCC3)CC[NH+](C)CC2 ZINC000072468919 522289484 /nfs/dbraw/zinc/28/94/84/522289484.db2.gz WZCRDJDIJCRJHB-HNNXBMFYSA-N 1 3 360.506 1.037 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)N1CCc3[nH]nc(C4CCC4)c3C1)CC[NH2+]CC2 ZINC000072479428 522302345 /nfs/dbraw/zinc/30/23/45/522302345.db2.gz QGHPQGJAINWTGV-QGZVFWFLSA-N 1 3 357.502 1.636 50 0 FDAAHO C[NH+](C)CCCNC(=O)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000065256134 522795836 /nfs/dbraw/zinc/79/58/36/522795836.db2.gz PWRIETZSKHGKJG-IBGZPJMESA-N 1 3 367.497 1.914 50 0 FDAAHO O[C@@]1(C[NH+]2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)CNCCOC1 ZINC000077521357 523370362 /nfs/dbraw/zinc/37/03/62/523370362.db2.gz WXXAYDDGAKJFTE-OAQYLSRUSA-N 1 3 370.497 1.531 50 0 FDAAHO CC[NH+]1CCN(CCOc2ccc(CN3CCC[C@H]3C(N)=O)cc2)CC1 ZINC000223439932 537526750 /nfs/dbraw/zinc/52/67/50/537526750.db2.gz UKOKSNIEHYPJIP-IBGZPJMESA-N 1 3 360.502 1.153 50 0 FDAAHO O=C(NCCN1CCCCC1)[C@]1(CCO)CC[N@H+](Cc2ccccc2)C1 ZINC000257192185 864699705 /nfs/dbraw/zinc/69/97/05/864699705.db2.gz SWBNSSUVVDHIPB-NRFANRHFSA-N 1 3 359.514 1.863 50 0 FDAAHO O=C(NCCN1CCCCC1)[C@]1(CCO)CC[N@@H+](Cc2ccccc2)C1 ZINC000257192185 864699711 /nfs/dbraw/zinc/69/97/11/864699711.db2.gz SWBNSSUVVDHIPB-NRFANRHFSA-N 1 3 359.514 1.863 50 0 FDAAHO CC[C@@H]1CCCCN1CC(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1 ZINC000067787174 205390371 /nfs/dbraw/zinc/39/03/71/205390371.db2.gz YQCRZGMOEDUCOF-GOSISDBHSA-N 1 3 350.551 1.879 50 0 FDAAHO CC[C@@H]1CCCCN1CC(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1 ZINC000067787174 205390375 /nfs/dbraw/zinc/39/03/75/205390375.db2.gz YQCRZGMOEDUCOF-GOSISDBHSA-N 1 3 350.551 1.879 50 0 FDAAHO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C1CCN(Cc2ccccc2)CC1 ZINC000067872593 205399664 /nfs/dbraw/zinc/39/96/64/205399664.db2.gz VRZJVYSVLBQGPO-QUCCMNQESA-N 1 3 358.530 1.921 50 0 FDAAHO CC[NH+]1CCC(N2CCN(C)[C@]3(C2)CCC(=O)N(CCOC)CC3)CC1 ZINC000107418389 206244904 /nfs/dbraw/zinc/24/49/04/206244904.db2.gz BXGIJZXVXXJVEK-HXUWFJFHSA-N 1 3 366.550 1.116 50 0 FDAAHO O=C(C1CC[NH+](C2CCOCC2)CC1)N1CCN(c2ccncc2)CC1 ZINC000097173396 132227934 /nfs/dbraw/zinc/22/79/34/132227934.db2.gz YIHPPOBLXIMFCC-UHFFFAOYSA-N 1 3 358.486 1.621 50 0 FDAAHO O=C(NCCO)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071735928 522120193 /nfs/dbraw/zinc/12/01/93/522120193.db2.gz QIKVZARHTXAXPU-LJQANCHMSA-N 1 3 371.525 1.439 50 0 FDAAHO COCCN(C)CCN1CC2(CC[NH+]([C@H]3CCSC3)CC2)OC1=O ZINC000072418119 522249026 /nfs/dbraw/zinc/24/90/26/522249026.db2.gz YTJNBCGAIVIVKV-HNNXBMFYSA-N 1 3 357.520 1.357 50 0 FDAAHO COc1cc(C)ccc1CN1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000091650170 524753048 /nfs/dbraw/zinc/75/30/48/524753048.db2.gz MYWHQVCGVZHIAY-WOJBJXKFSA-N 1 3 361.530 1.681 50 0 FDAAHO COc1cc(C)ccc1CN1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091650170 524753060 /nfs/dbraw/zinc/75/30/60/524753060.db2.gz MYWHQVCGVZHIAY-WOJBJXKFSA-N 1 3 361.530 1.681 50 0 FDAAHO Cn1cc(CC[NH+]2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)cn1 ZINC000091745491 524771192 /nfs/dbraw/zinc/77/11/92/524771192.db2.gz FKAWLRZHKOBJAW-GOSISDBHSA-N 1 3 359.518 1.371 50 0 FDAAHO COc1ccccc1CCN1CCC(CN(C)C(=O)[C@H]2C=CC[NH2+]2)CC1 ZINC000095522903 525101791 /nfs/dbraw/zinc/10/17/91/525101791.db2.gz JXYZXEVBHGFBIW-LJQANCHMSA-N 1 3 357.498 1.936 50 0 FDAAHO COc1ccc(CCN2C(=O)N(CCN(C)C)C(=O)C23CC[NH2+]CC3)cc1 ZINC000299777225 537595453 /nfs/dbraw/zinc/59/54/53/537595453.db2.gz BJKLCASURNMBCI-UHFFFAOYSA-N 1 3 374.485 1.186 50 0 FDAAHO CN(C)CCN(C[C@@H]1CCCO1)c1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065385635 205342715 /nfs/dbraw/zinc/34/27/15/205342715.db2.gz XYBQAHUWZBBFKP-ZDUSSCGKSA-N 1 3 361.515 1.884 50 0 FDAAHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000238159574 206114293 /nfs/dbraw/zinc/11/42/93/206114293.db2.gz LVYSGFRZOWDCFD-LJQANCHMSA-N 1 3 357.498 1.649 50 0 FDAAHO CCc1cc(N2CCC([NH2+][C@@H]3CCCNC3)CC2)nc(N2CCCC2)n1 ZINC000095518366 132213631 /nfs/dbraw/zinc/21/36/31/132213631.db2.gz MBLYMQDIBDDQRN-GOSISDBHSA-N 1 3 358.534 1.950 50 0 FDAAHO CCc1cc(N2CCC(N[C@@H]3CCC[NH2+]C3)CC2)nc(N2CCCC2)n1 ZINC000095518366 132213632 /nfs/dbraw/zinc/21/36/32/132213632.db2.gz MBLYMQDIBDDQRN-GOSISDBHSA-N 1 3 358.534 1.950 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)N1CCN(c3ccccc3O)CC1)CC[NH2+]CC2 ZINC000072409658 136145293 /nfs/dbraw/zinc/14/52/93/136145293.db2.gz IVCYSULJLRWIGF-QGZVFWFLSA-N 1 3 358.486 1.115 50 0 FDAAHO CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000020256774 518846425 /nfs/dbraw/zinc/84/64/25/518846425.db2.gz VSVPBWYEEVXLHS-UHFFFAOYSA-N 1 3 374.485 1.573 50 0 FDAAHO Cn1c(CNC(=O)C23CNCC2C[NH2+]C3)nc2cc(C(F)(F)F)ccc21 ZINC000096133784 525136499 /nfs/dbraw/zinc/13/64/99/525136499.db2.gz AKBVBLORMYSMRD-UHFFFAOYSA-N 1 3 367.375 1.017 50 0 FDAAHO Cn1cccc1CN1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000257185202 793953886 /nfs/dbraw/zinc/95/38/86/793953886.db2.gz WEXLOEAIAQJOHZ-SFHVURJKSA-N 1 3 360.502 1.170 50 0 FDAAHO Cn1cccc1CN1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@@H+](C)C2)CC1 ZINC000257185202 793953891 /nfs/dbraw/zinc/95/38/91/793953891.db2.gz WEXLOEAIAQJOHZ-SFHVURJKSA-N 1 3 360.502 1.170 50 0 FDAAHO COCCN(CCOc1ccccc1F)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC000952986485 960308950 /nfs/dbraw/zinc/30/89/50/960308950.db2.gz DWORFCUCVXQZHR-KRWDZBQOSA-N 1 3 369.481 1.739 50 0 FDAAHO CN(Cc1ccccc1CN1CCCC1)C(=O)CN(C)C1CC[NH2+]CC1 ZINC000534642848 540393706 /nfs/dbraw/zinc/39/37/06/540393706.db2.gz PEFDOTUJTNULBD-UHFFFAOYSA-N 1 3 358.530 1.925 50 0 FDAAHO Cc1cc(=O)oc2cc(NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCC[NH3+])ccc12 ZINC000002522646 204044139 /nfs/dbraw/zinc/04/41/39/204044139.db2.gz BEIXTDYXKGFYLC-WFASDCNBSA-N 1 3 374.441 1.001 50 0 FDAAHO NC(=O)C1(N2CCCCC2)CCN(C(=[NH2+])NC(=O)c2ccccc2)CC1 ZINC000004018859 204117667 /nfs/dbraw/zinc/11/76/67/204117667.db2.gz UJQVEUDXPRGUJA-UHFFFAOYSA-N 1 3 357.458 1.157 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)NCc3ccc(C[NH3+])cc3)cnn2c1 ZINC000067447330 205373550 /nfs/dbraw/zinc/37/35/50/205373550.db2.gz FZTRAONNVWYIIM-UHFFFAOYSA-N 1 3 366.469 1.960 50 0 FDAAHO C[NH+](C)CCN1CCN(c2nc(-c3ccccc3)nc3c2CCNC3)CC1 ZINC000067855313 205397154 /nfs/dbraw/zinc/39/71/54/205397154.db2.gz GKNIBXFRHXDBNR-UHFFFAOYSA-N 1 3 366.513 1.473 50 0 FDAAHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000237432065 206104072 /nfs/dbraw/zinc/10/40/72/206104072.db2.gz PAYILMHUISOEBA-GGPKGHCWSA-N 1 3 358.530 1.746 50 0 FDAAHO Cc1cc(N2CCC([NH2+][C@@H](CO)Cc3ccc(O)cc3)CC2)nc(N)n1 ZINC000095388509 132210061 /nfs/dbraw/zinc/21/00/61/132210061.db2.gz FIWCQSQEHKNTDL-MRXNPFEDSA-N 1 3 357.458 1.235 50 0 FDAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)COC ZINC000012586215 521653776 /nfs/dbraw/zinc/65/37/76/521653776.db2.gz BPKWXXVEUWVWFS-SFHVURJKSA-N 1 3 355.523 1.304 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N[C@H]3CC[C@H]3[NH2+]C(C)C)cnn2c1 ZINC000072167055 522194887 /nfs/dbraw/zinc/19/48/87/522194887.db2.gz ABXXJGAHABXXJK-SJORKVTESA-N 1 3 358.490 1.830 50 0 FDAAHO COc1c(C)cnc(CN(C)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)c1C ZINC000072426759 522261445 /nfs/dbraw/zinc/26/14/45/522261445.db2.gz FHBDAWRIDCOMFD-QGZVFWFLSA-N 1 3 360.502 1.739 50 0 FDAAHO [NH3+]CCN1C(=O)CC[C@H]2CN(Cc3cccn3-c3ccccn3)CC[C@H]21 ZINC000072481193 522308900 /nfs/dbraw/zinc/30/89/00/522308900.db2.gz CBFSYUKUDMFNKG-FUHWJXTLSA-N 1 3 353.470 1.644 50 0 FDAAHO COC(=O)C1CCN(C[C@H](O)COc2ccc(C[NH+]3CCC3)cc2)CC1 ZINC000095498937 525080517 /nfs/dbraw/zinc/08/05/17/525080517.db2.gz VFABJULFOOVEGK-SFHVURJKSA-N 1 3 362.470 1.517 50 0 FDAAHO CN1CCN(C[C@H](O)COc2ccc(C[NH+]3CCC(F)CC3)cc2)CC1 ZINC000095527099 525102956 /nfs/dbraw/zinc/10/29/56/525102956.db2.gz HFAUJTUCKIKZKZ-IBGZPJMESA-N 1 3 365.493 1.608 50 0 FDAAHO CCc1n[nH]c2c1CN(C(=O)NC1CCN(C3CC[NH+](C)CC3)CC1)CC2 ZINC000584896992 551566630 /nfs/dbraw/zinc/56/66/30/551566630.db2.gz PLHYHLXMSDMEJS-UHFFFAOYSA-N 1 3 374.533 1.598 50 0 FDAAHO CN(C)C[C@H](c1ccccc1)N(C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000426420473 571222963 /nfs/dbraw/zinc/22/29/63/571222963.db2.gz VNJGFAPOBCLSBQ-LJQANCHMSA-N 1 3 362.518 1.778 50 0 FDAAHO COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(CN2CCCC2)c1 ZINC000012112252 873835727 /nfs/dbraw/zinc/83/57/27/873835727.db2.gz GTMCEJMFJFCHOU-SFHVURJKSA-N 1 3 364.486 1.487 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)N1CCOCC1)CC[NH+](Cc1cccnc1)CC2 ZINC000581802339 927586771 /nfs/dbraw/zinc/58/67/71/927586771.db2.gz FMIMGFLEKGJGHP-SFHVURJKSA-N 1 3 358.486 1.227 50 0 FDAAHO CN1CCC[C@H]1CCn1nc(C2CC[NH2+]CC2)n(-c2ccccc2)c1=O ZINC000067674093 205380101 /nfs/dbraw/zinc/38/01/01/205380101.db2.gz HROKDLFYXIPCCU-KRWDZBQOSA-N 1 3 355.486 1.985 50 0 FDAAHO CC(C)N1CCO[C@@H](CC(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)C1 ZINC000067676285 205381952 /nfs/dbraw/zinc/38/19/52/205381952.db2.gz ZHRXGLZVLPPEFW-SFHVURJKSA-N 1 3 366.550 1.114 50 0 FDAAHO CC(C)N1CCO[C@@H](CC(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)C1 ZINC000067676285 205381953 /nfs/dbraw/zinc/38/19/53/205381953.db2.gz ZHRXGLZVLPPEFW-SFHVURJKSA-N 1 3 366.550 1.114 50 0 FDAAHO CC(C)N1CCO[C@@H](CC(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)C1 ZINC000067676285 205381957 /nfs/dbraw/zinc/38/19/57/205381957.db2.gz ZHRXGLZVLPPEFW-SFHVURJKSA-N 1 3 366.550 1.114 50 0 FDAAHO COCCN(C)Cc1ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000012303504 518601298 /nfs/dbraw/zinc/60/12/98/518601298.db2.gz YEALUTNJJJBIFX-QGZVFWFLSA-N 1 3 354.491 1.853 50 0 FDAAHO COCCN(C)Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000012303504 518601302 /nfs/dbraw/zinc/60/13/02/518601302.db2.gz YEALUTNJJJBIFX-QGZVFWFLSA-N 1 3 354.491 1.853 50 0 FDAAHO O=C(NC1CC1)[C@H]1CCCN(C2CC[NH+](CCCn3cccn3)CC2)C1 ZINC000012438557 518612955 /nfs/dbraw/zinc/61/29/55/518612955.db2.gz JXDQOLJBDJJDKI-KRWDZBQOSA-N 1 3 359.518 1.728 50 0 FDAAHO NCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071498375 522113347 /nfs/dbraw/zinc/11/33/47/522113347.db2.gz JLFMWEPUHVJACY-SFHVURJKSA-N 1 3 372.513 1.007 50 0 FDAAHO NCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071498375 522113354 /nfs/dbraw/zinc/11/33/54/522113354.db2.gz JLFMWEPUHVJACY-SFHVURJKSA-N 1 3 372.513 1.007 50 0 FDAAHO Cc1nn(CCNC(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)c(C)c1Cl ZINC000072418839 522247558 /nfs/dbraw/zinc/24/75/58/522247558.db2.gz ZYDQVSUNACIIGZ-AWEZNQCLSA-N 1 3 353.898 1.343 50 0 FDAAHO Cc1nnc(SCCCNC(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)s1 ZINC000072422671 522253679 /nfs/dbraw/zinc/25/36/79/522253679.db2.gz CLYXKUUTZBQROZ-ZDUSSCGKSA-N 1 3 369.560 1.519 50 0 FDAAHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000077356647 523306324 /nfs/dbraw/zinc/30/63/24/523306324.db2.gz MXAQETWECARGMY-LMFLDHGRSA-N 1 3 357.502 1.393 50 0 FDAAHO N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000077356647 523306328 /nfs/dbraw/zinc/30/63/28/523306328.db2.gz MXAQETWECARGMY-LMFLDHGRSA-N 1 3 357.502 1.393 50 0 FDAAHO CN(C)CCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C1=O ZINC000067909798 523630840 /nfs/dbraw/zinc/63/08/40/523630840.db2.gz RQMLQKGMIWYOFJ-LJQANCHMSA-N 1 3 362.449 1.220 50 0 FDAAHO CN(C)c1ccc(CN2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cn1 ZINC000091932707 524814513 /nfs/dbraw/zinc/81/45/13/524814513.db2.gz CVEHTQHIKNIMFJ-UHFFFAOYSA-N 1 3 373.545 1.914 50 0 FDAAHO CN1CC[NH+](C[C@@H]2CCCN(Cc3ccc(-n4ccnc4)nc3)C2)CC1 ZINC000095446740 525068935 /nfs/dbraw/zinc/06/89/35/525068935.db2.gz YERNEZMPAFWCEC-IBGZPJMESA-N 1 3 354.502 1.727 50 0 FDAAHO CN1CCOC[C@@H](CNC(=O)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000299785894 571199223 /nfs/dbraw/zinc/19/92/23/571199223.db2.gz MOQHQCUJKJTTTO-FQEVSTJZSA-N 1 3 359.514 1.983 50 0 FDAAHO Cc1nc2c(c(N3CCC(O)(C[NH+]4CCCC4)CC3)n1)CCN(C)CC2 ZINC000065370478 205340462 /nfs/dbraw/zinc/34/04/62/205340462.db2.gz UEWBHVQALVTNSF-UHFFFAOYSA-N 1 3 359.518 1.243 50 0 FDAAHO CCn1c(=O)n(C)nc1C1CC[NH+](CC2CCN(CCOC)CC2)CC1 ZINC000067676366 205381326 /nfs/dbraw/zinc/38/13/26/205381326.db2.gz DQVZRYNSSHAFTI-UHFFFAOYSA-N 1 3 365.522 1.140 50 0 FDAAHO C[C@H](CN(C)C)On1c(=O)c2ccccc2nc1S[C@@H](C)C[NH+](C)C ZINC000002409304 206154765 /nfs/dbraw/zinc/15/47/65/206154765.db2.gz AKYMJUSVGAWJBS-KGLIPLIRSA-N 1 3 364.515 1.817 50 0 FDAAHO COc1cc(CNCCNC(C)=O)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000011838274 518573106 /nfs/dbraw/zinc/57/31/06/518573106.db2.gz DBLAHXGESDMTGH-KRWDZBQOSA-N 1 3 367.490 1.001 50 0 FDAAHO COc1cc(CNCCNC(C)=O)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000011838274 518573108 /nfs/dbraw/zinc/57/31/08/518573108.db2.gz DBLAHXGESDMTGH-KRWDZBQOSA-N 1 3 367.490 1.001 50 0 FDAAHO CCCN1CC2(C[C@H]1C(=O)NCCNc1cccnc1)CC[NH+](C)CC2 ZINC000072411422 522244397 /nfs/dbraw/zinc/24/43/97/522244397.db2.gz BZZBTTIRMMABQU-SFHVURJKSA-N 1 3 359.518 1.806 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)NC1CCN(C(=O)c3ccco3)CC1)CC[NH2+]CC2 ZINC000072422492 522253765 /nfs/dbraw/zinc/25/37/65/522253765.db2.gz CUNHAYZSWZVQHQ-MRXNPFEDSA-N 1 3 374.485 1.074 50 0 FDAAHO [NH3+]CCN1C(=O)CC[C@H]2CN(Cc3cccn3-c3cccnc3)CC[C@H]21 ZINC000072448371 522281299 /nfs/dbraw/zinc/28/12/99/522281299.db2.gz BFHMKQXZXKGLGG-QFBILLFUSA-N 1 3 353.470 1.644 50 0 FDAAHO CN1CC[NH+](C[C@@H]2CN(Cc3cnc(-c4ccco4)nc3)C[C@@H]2CO)CC1 ZINC000095387747 525058878 /nfs/dbraw/zinc/05/88/78/525058878.db2.gz JLUNDUXZVRZSEU-QZTJIDSGSA-N 1 3 371.485 1.024 50 0 FDAAHO COc1cc(C[NH+]2CCCC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000095523999 525100335 /nfs/dbraw/zinc/10/03/35/525100335.db2.gz KNZQEIBNWFDADZ-SFHVURJKSA-N 1 3 364.486 1.487 50 0 FDAAHO COc1cc(CNC(C)(C)CO)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012576767 207395813 /nfs/dbraw/zinc/39/58/13/207395813.db2.gz XCTHKURALGCVKC-INIZCTEOSA-N 1 3 354.491 1.636 50 0 FDAAHO COc1cc(CNC(C)(C)CO)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012576767 207395817 /nfs/dbraw/zinc/39/58/17/207395817.db2.gz XCTHKURALGCVKC-INIZCTEOSA-N 1 3 354.491 1.636 50 0 FDAAHO CCOc1ccccc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000095405695 209049097 /nfs/dbraw/zinc/04/90/97/209049097.db2.gz PPNMSCFHNXRXRX-QGZVFWFLSA-N 1 3 362.518 1.982 50 0 FDAAHO Cc1cccc(N2CCN(CCC(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)CC2)c1 ZINC000091818559 132204033 /nfs/dbraw/zinc/20/40/33/132204033.db2.gz GKRSJMLMCRJQCD-UXHICEINSA-N 1 3 356.514 1.703 50 0 FDAAHO COCCN1CCC(CN(Cc2ccncc2)C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000095526059 209076318 /nfs/dbraw/zinc/07/63/18/209076318.db2.gz YHZACMVQCWHPMY-IBGZPJMESA-N 1 3 360.502 1.378 50 0 FDAAHO COCCC[N@@H+]1CC[C@@H](Cn2cnc3sc4c(c3c2=O)CCNC4)C1 ZINC000065536209 522835191 /nfs/dbraw/zinc/83/51/91/522835191.db2.gz QEKKUNBSXYFDDA-CYBMUJFWSA-N 1 3 362.499 1.462 50 0 FDAAHO COCCC[N@H+]1CC[C@@H](Cn2cnc3sc4c(c3c2=O)CCNC4)C1 ZINC000065536209 522835199 /nfs/dbraw/zinc/83/51/99/522835199.db2.gz QEKKUNBSXYFDDA-CYBMUJFWSA-N 1 3 362.499 1.462 50 0 FDAAHO CN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1cn(CC[NH3+])nn1 ZINC000077535081 523375497 /nfs/dbraw/zinc/37/54/97/523375497.db2.gz RNGYJMXRDILCJX-UHFFFAOYSA-N 1 3 356.474 1.221 50 0 FDAAHO Cc1ccc(C2(CN3CCC4(CN(C)C(=O)O4)CC3)CC[NH2+]CC2)nc1 ZINC000067472750 523465159 /nfs/dbraw/zinc/46/51/59/523465159.db2.gz UESHNVWVBFRUCW-UHFFFAOYSA-N 1 3 358.486 1.928 50 0 FDAAHO CC(C)N1CCO[C@H](CC(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)C1 ZINC000067676284 523538744 /nfs/dbraw/zinc/53/87/44/523538744.db2.gz ZHRXGLZVLPPEFW-GOSISDBHSA-N 1 3 366.550 1.114 50 0 FDAAHO CC(C)N1CCO[C@H](CC(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)C1 ZINC000067676284 523538756 /nfs/dbraw/zinc/53/87/56/523538756.db2.gz ZHRXGLZVLPPEFW-GOSISDBHSA-N 1 3 366.550 1.114 50 0 FDAAHO CC(C)N1CCO[C@H](CC(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)C1 ZINC000067676284 523538767 /nfs/dbraw/zinc/53/87/67/523538767.db2.gz ZHRXGLZVLPPEFW-GOSISDBHSA-N 1 3 366.550 1.114 50 0 FDAAHO CCN1CC[C@H](Cn2nc(C3CC[NH2+]CC3)n(-c3ccccc3)c2=O)C1 ZINC000067694891 523547854 /nfs/dbraw/zinc/54/78/54/523547854.db2.gz RHQJLLGEAFUUBA-INIZCTEOSA-N 1 3 355.486 1.843 50 0 FDAAHO CN(C)CCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C1=O ZINC000067909800 523630058 /nfs/dbraw/zinc/63/00/58/523630058.db2.gz RQMLQKGMIWYOFJ-IBGZPJMESA-N 1 3 362.449 1.220 50 0 FDAAHO CC(C)c1cc(CN2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)on1 ZINC000091794102 524787092 /nfs/dbraw/zinc/78/70/92/524787092.db2.gz MSCQNXCHTANKST-IAGOWNOFSA-N 1 3 350.507 1.476 50 0 FDAAHO CC(C)c1cc(CN2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)on1 ZINC000091794102 524787100 /nfs/dbraw/zinc/78/71/00/524787100.db2.gz MSCQNXCHTANKST-IAGOWNOFSA-N 1 3 350.507 1.476 50 0 FDAAHO CSCCC[NH+]1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082135227 525447793 /nfs/dbraw/zinc/44/77/93/525447793.db2.gz CCCAONUVQZLTRM-KRWDZBQOSA-N 1 3 369.575 1.775 50 0 FDAAHO CCC[N@@H+]1CCCn2nc(CNC(=O)[C@@H](N)Cc3ccc(O)cc3)cc2C1 ZINC000082108364 571228384 /nfs/dbraw/zinc/22/83/84/571228384.db2.gz HIOTYLULSPKRFU-IBGZPJMESA-N 1 3 371.485 1.391 50 0 FDAAHO CCC[N@H+]1CCCn2nc(CNC(=O)[C@@H](N)Cc3ccc(O)cc3)cc2C1 ZINC000082108364 571228385 /nfs/dbraw/zinc/22/83/85/571228385.db2.gz HIOTYLULSPKRFU-IBGZPJMESA-N 1 3 371.485 1.391 50 0 FDAAHO COc1ccc(CN2CCC(C(N)=O)CC2)cc1OC[C@H]1CCC[NH2+]C1 ZINC000299797043 800199093 /nfs/dbraw/zinc/19/90/93/800199093.db2.gz LZZJZQYGLJLBNT-INIZCTEOSA-N 1 3 361.486 1.771 50 0 FDAAHO Cc1c(C[NH+]2CCC3(CC2)CN([C@@H]2CCSC2)CCO3)cnn1C ZINC000825656351 923779470 /nfs/dbraw/zinc/77/94/70/923779470.db2.gz YKEMFMRAHNWQKR-QGZVFWFLSA-N 1 3 350.532 1.901 50 0 FDAAHO Cc1cc(N2CCN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC2)cc(C)[nH+]1 ZINC000077458738 132186149 /nfs/dbraw/zinc/18/61/49/132186149.db2.gz GDBMIMKNFWAYQU-IBGZPJMESA-N 1 3 354.454 1.623 50 0 FDAAHO O=C(CCC1CC[NH+](CCO)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000095530584 209079444 /nfs/dbraw/zinc/07/94/44/209079444.db2.gz IRNIXKJAFGTQKU-FQEVSTJZSA-N 1 3 359.514 1.862 50 0 FDAAHO Cc1c[nH+]ccc1NCCNC(=O)N1CCC(N2CCSCC2)CC1 ZINC000426527032 263621600 /nfs/dbraw/zinc/62/16/00/263621600.db2.gz TTWYXHHZEHWNFB-UHFFFAOYSA-N 1 3 363.531 1.447 50 0 FDAAHO COc1ccc(CNCCc2c[nH]cn2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000012196479 518597345 /nfs/dbraw/zinc/59/73/45/518597345.db2.gz HPSRQGSAUIJNAC-GOSISDBHSA-N 1 3 374.485 1.586 50 0 FDAAHO O=C1CCN([C@@H]2c3ccccc3C3(CC[NH+](CC4CC4)CC3)[C@H]2O)CCN1 ZINC000019940114 518841729 /nfs/dbraw/zinc/84/17/29/518841729.db2.gz JJDHLZIERITCGJ-RTWAWAEBSA-N 1 3 369.509 1.668 50 0 FDAAHO NC1CN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)C1 ZINC000071738841 522119633 /nfs/dbraw/zinc/11/96/33/522119633.db2.gz VKAYCSXJZADWHW-LJQANCHMSA-N 1 3 370.541 1.575 50 0 FDAAHO NC1CN(C(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)C1 ZINC000071738841 522119646 /nfs/dbraw/zinc/11/96/46/522119646.db2.gz VKAYCSXJZADWHW-LJQANCHMSA-N 1 3 370.541 1.575 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)NCCOc1ccccc1Cl)CC[NH2+]CC2 ZINC000072422783 522253925 /nfs/dbraw/zinc/25/39/25/522253925.db2.gz FXOQIDFTGKWLDE-HNNXBMFYSA-N 1 3 351.878 1.909 50 0 FDAAHO COc1cc2c(cc1CN1CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C1)CCC2 ZINC000072473571 522293126 /nfs/dbraw/zinc/29/31/26/522293126.db2.gz DCGHPJSXNYUSSK-PKOBYXMFSA-N 1 3 357.498 1.956 50 0 FDAAHO CCn1c(C)nnc1SCC[NH2+]C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063881811 522671273 /nfs/dbraw/zinc/67/12/73/522671273.db2.gz PVOVLQNXISHUKH-NVXWUHKLSA-N 1 3 353.536 1.668 50 0 FDAAHO C[NH+](C)CCCNC(=O)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255961 522797114 /nfs/dbraw/zinc/79/71/14/522797114.db2.gz JEBCUVZTWKTCMZ-IBGZPJMESA-N 1 3 367.497 1.914 50 0 FDAAHO Cc1nc2c(c(N3CCC([C@H](C)N4CCOCC4)CC3)n1)CC[NH2+]CC2 ZINC000065508252 522829512 /nfs/dbraw/zinc/82/95/12/522829512.db2.gz RIAWDNPBUWLCQX-HNNXBMFYSA-N 1 3 359.518 1.410 50 0 FDAAHO COCCC[NH+]1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082109462 523294892 /nfs/dbraw/zinc/29/48/92/523294892.db2.gz BKVJKLFNJXRNOQ-KRWDZBQOSA-N 1 3 353.507 1.058 50 0 FDAAHO COCC[N@@H+]1CC[C@H](CNC(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000299802282 571203593 /nfs/dbraw/zinc/20/35/93/571203593.db2.gz SLJJGMHEHILQLV-GOSISDBHSA-N 1 3 359.514 1.735 50 0 FDAAHO COCC[N@H+]1CC[C@H](CNC(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000299802282 571203594 /nfs/dbraw/zinc/20/35/94/571203594.db2.gz SLJJGMHEHILQLV-GOSISDBHSA-N 1 3 359.514 1.735 50 0 FDAAHO COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(C[NH2+]C(C)C)c1 ZINC000012386220 670612761 /nfs/dbraw/zinc/61/27/61/670612761.db2.gz AEKIPJBDLGDRMA-KRWDZBQOSA-N 1 3 352.475 1.390 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)N1CCOCC1)CC[NH+](Cc1ccccn1)CC2 ZINC000257176304 793819240 /nfs/dbraw/zinc/81/92/40/793819240.db2.gz CFZULBIKCSJIKH-GOSISDBHSA-N 1 3 358.486 1.227 50 0 FDAAHO Cc1nccn1CC[N@H+]1CCN(C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091736617 1006755229 /nfs/dbraw/zinc/75/52/29/1006755229.db2.gz YXEWAVKZIAWOOY-FQEVSTJZSA-N 1 3 359.518 1.600 50 0 FDAAHO Cc1nccn1CC[N@@H+]1CCN(C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091736617 1006755236 /nfs/dbraw/zinc/75/52/36/1006755236.db2.gz YXEWAVKZIAWOOY-FQEVSTJZSA-N 1 3 359.518 1.600 50 0 FDAAHO C[C@@H](CN(C)C)On1c(=O)c2ccccc2nc1S[C@@H](C)C[NH+](C)C ZINC000002409303 209395695 /nfs/dbraw/zinc/39/56/95/209395695.db2.gz AKYMJUSVGAWJBS-KBPBESRZSA-N 1 3 364.515 1.817 50 0 FDAAHO NC(=O)C1CCN(CCCNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095360290 209027778 /nfs/dbraw/zinc/02/77/78/209027778.db2.gz RLYZNTVIWVGTDA-LJQANCHMSA-N 1 3 372.513 1.471 50 0 FDAAHO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000084638305 521855118 /nfs/dbraw/zinc/85/51/18/521855118.db2.gz MRZBDYPIKGCRGU-LPHOPBHVSA-N 1 3 351.466 1.467 50 0 FDAAHO CN(C)CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071755096 522127382 /nfs/dbraw/zinc/12/73/82/522127382.db2.gz DXKFARIFSNNIKH-LJQANCHMSA-N 1 3 373.545 1.436 50 0 FDAAHO CN(C)CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071755096 522127391 /nfs/dbraw/zinc/12/73/91/522127391.db2.gz DXKFARIFSNNIKH-LJQANCHMSA-N 1 3 373.545 1.436 50 0 FDAAHO Cc1cccnc1CN1CCN(C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072407960 522236889 /nfs/dbraw/zinc/23/68/89/522236889.db2.gz GNHBDLAKCQADRU-IBGZPJMESA-N 1 3 371.529 1.108 50 0 FDAAHO Nc1nc2c(c(N[C@@H]3CCCN(Cc4ccccc4)C3)n1)CC[NH2+]CC2 ZINC000072427891 522262019 /nfs/dbraw/zinc/26/20/19/522262019.db2.gz BAXNZNJDQQGUNM-MRXNPFEDSA-N 1 3 352.486 1.824 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)NCc1cccc(-n3cccn3)c1)CC[NH2+]CC2 ZINC000072435826 522274560 /nfs/dbraw/zinc/27/45/60/522274560.db2.gz CSOODYZFULSWEI-GOSISDBHSA-N 1 3 353.470 1.562 50 0 FDAAHO CN(C)CCN(C)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3s2)C[NH2+]1 ZINC000067654884 523534373 /nfs/dbraw/zinc/53/43/73/523534373.db2.gz QXODZJHMMOAUBR-CABCVRRESA-N 1 3 374.510 1.382 50 0 FDAAHO C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CCN(Cc2cccnc2N)CC3)C1 ZINC000091679738 524758647 /nfs/dbraw/zinc/75/86/47/524758647.db2.gz ITJORYQCOXPQJV-KRWDZBQOSA-N 1 3 357.502 1.573 50 0 FDAAHO C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(Cc2cccnc2N)CC3)C1 ZINC000091679738 524758653 /nfs/dbraw/zinc/75/86/53/524758653.db2.gz ITJORYQCOXPQJV-KRWDZBQOSA-N 1 3 357.502 1.573 50 0 FDAAHO CCC[NH+]1CCC(N2CCC3(C[C@H]4C(=O)N(CC)C(=O)N4C3)CC2)CC1 ZINC000581803631 927599833 /nfs/dbraw/zinc/59/98/33/927599833.db2.gz OTFUASOEJGOBOH-KRWDZBQOSA-N 1 3 362.518 1.999 50 0 FDAAHO CC[NH+]1CCC(CNC(=O)[C@H](c2ccc(F)cc2)N(C)C)(N(C)C)CC1 ZINC000095362183 209029453 /nfs/dbraw/zinc/02/94/53/209029453.db2.gz XRDCMPSXLYJVQV-SFHVURJKSA-N 1 3 364.509 1.961 50 0 FDAAHO Cc1nc(C2CC([NH3+])C2)cc(N2CCC(C(N)=O)(N3CCCCC3)CC2)n1 ZINC000220192172 132275442 /nfs/dbraw/zinc/27/54/42/132275442.db2.gz JVUYKXMGCKLWBF-UHFFFAOYSA-N 1 3 372.517 1.300 50 0 FDAAHO [NH3+][C@H]1C[C@@H](c2nnc(CN3CCN(c4ccncc4)CC3)n2C2CC2)C1 ZINC000244707913 132290478 /nfs/dbraw/zinc/29/04/78/132290478.db2.gz KJWZDFIUPAJHIE-GASCZTMLSA-N 1 3 353.474 1.535 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)N1CCN(c3ccccc3O)CC1)CC[NH2+]CC2 ZINC000072409659 136145328 /nfs/dbraw/zinc/14/53/28/136145328.db2.gz IVCYSULJLRWIGF-KRWDZBQOSA-N 1 3 358.486 1.115 50 0 FDAAHO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000084638304 521883904 /nfs/dbraw/zinc/88/39/04/521883904.db2.gz MRZBDYPIKGCRGU-QFBILLFUSA-N 1 3 351.466 1.467 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cnn2c1 ZINC000071278549 522108834 /nfs/dbraw/zinc/10/88/34/522108834.db2.gz TUVALERLKACOBH-INIZCTEOSA-N 1 3 356.474 1.491 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cnn2c1 ZINC000071278549 522108844 /nfs/dbraw/zinc/10/88/44/522108844.db2.gz TUVALERLKACOBH-INIZCTEOSA-N 1 3 356.474 1.491 50 0 FDAAHO CCn1c(CCNC(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)nc2ccccc21 ZINC000072407497 522236292 /nfs/dbraw/zinc/23/62/92/522236292.db2.gz LJYLYCDJYLNKID-SFHVURJKSA-N 1 3 369.513 1.789 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)NC1CCN(Cc3cccnc3)CC1)CC[NH2+]CC2 ZINC000072411630 522245642 /nfs/dbraw/zinc/24/56/42/522245642.db2.gz PCPFGMDDQNSPFK-LJQANCHMSA-N 1 3 371.529 1.236 50 0 FDAAHO CCN(Cc1noc(C2CCC2)n1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072424700 522256769 /nfs/dbraw/zinc/25/67/69/522256769.db2.gz KABGWUYVACJYFK-HNNXBMFYSA-N 1 3 361.490 1.760 50 0 FDAAHO CCOCc1nc2c(c(N3CC(N4CCCC[C@H]4C)C3)n1)CC[NH2+]CC2 ZINC000072447423 522279251 /nfs/dbraw/zinc/27/92/51/522279251.db2.gz QHERDSDZVQBHAJ-OAHLLOKOSA-N 1 3 359.518 1.764 50 0 FDAAHO O[C@@]1(CNC2(CN3CCOCC3)CCCC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063884591 522669212 /nfs/dbraw/zinc/66/92/12/522669212.db2.gz UCCDMIWZWPWPDN-UYAOXDASSA-N 1 3 351.535 1.600 50 0 FDAAHO O[C@@]1(CNC2(CN3CCOCC3)CCCC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063884591 522669224 /nfs/dbraw/zinc/66/92/24/522669224.db2.gz UCCDMIWZWPWPDN-UYAOXDASSA-N 1 3 351.535 1.600 50 0 FDAAHO C[NH+](C)CCCNC(=O)c1cccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000065255797 522796890 /nfs/dbraw/zinc/79/68/90/522796890.db2.gz RTAYIIFASVCHTA-LJQANCHMSA-N 1 3 367.497 1.914 50 0 FDAAHO COCCn1c(CN2CCC(c3ccn[nH]3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244866413 209909002 /nfs/dbraw/zinc/90/90/02/209909002.db2.gz VVSDLJZWMPTUMI-GASCZTMLSA-N 1 3 359.478 1.232 50 0 FDAAHO CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+](C1CCSCC1)CC2 ZINC000014533592 518693721 /nfs/dbraw/zinc/69/37/21/518693721.db2.gz LLZCIYDKWONYFK-UHFFFAOYSA-N 1 3 368.547 1.562 50 0 FDAAHO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(CCO)CC2)c(Cl)c1 ZINC000014981099 518703864 /nfs/dbraw/zinc/70/38/64/518703864.db2.gz DZKHLGXSVLAEJX-UHFFFAOYSA-N 1 3 369.893 1.467 50 0 FDAAHO CCCN1CC2(C[C@@H]1C(=O)NCCNc1cccnc1)CC[NH+](C)CC2 ZINC000072411421 522244946 /nfs/dbraw/zinc/24/49/46/522244946.db2.gz BZZBTTIRMMABQU-GOSISDBHSA-N 1 3 359.518 1.806 50 0 FDAAHO COCCOc1ccc(CNC(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)cc1 ZINC000072463665 522289333 /nfs/dbraw/zinc/28/93/33/522289333.db2.gz LZGVMKJJTUICEJ-SFHVURJKSA-N 1 3 361.486 1.402 50 0 FDAAHO C[NH+](C)CCCNC(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065255962 522795469 /nfs/dbraw/zinc/79/54/69/522795469.db2.gz JEBCUVZTWKTCMZ-LJQANCHMSA-N 1 3 367.497 1.914 50 0 FDAAHO Cc1ncccc1OC1(C(=O)N2CCN3CCC[C@H]3[C@@H]2C)CC[NH2+]CC1 ZINC000065461743 522824433 /nfs/dbraw/zinc/82/44/33/522824433.db2.gz DTUYAVIIZLGBCF-IRXDYDNUSA-N 1 3 358.486 1.586 50 0 FDAAHO CC(=O)c1cc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)cs1 ZINC000091746151 524772913 /nfs/dbraw/zinc/77/29/13/524772913.db2.gz XAMSFLJGDXYMLN-QZTJIDSGSA-N 1 3 365.543 1.629 50 0 FDAAHO CC(=O)c1cc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cs1 ZINC000091746151 524772925 /nfs/dbraw/zinc/77/29/25/524772925.db2.gz XAMSFLJGDXYMLN-QZTJIDSGSA-N 1 3 365.543 1.629 50 0 FDAAHO O=C(NCC1CCN(CCO)CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175752242 525000663 /nfs/dbraw/zinc/00/06/63/525000663.db2.gz MXBUJDGJTLUPSR-UHFFFAOYSA-N 1 3 352.523 1.397 50 0 FDAAHO [NH3+]CCCOc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)cc1Cl ZINC000299787199 571199864 /nfs/dbraw/zinc/19/98/64/571199864.db2.gz VOIAHFIBQGOYJH-HOTGVXAUSA-N 1 3 367.877 1.349 50 0 FDAAHO CN(CC1CCN(CCO)CC1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095382878 209042660 /nfs/dbraw/zinc/04/26/60/209042660.db2.gz XWFPXUMVSCHIPA-HXUWFJFHSA-N 1 3 359.514 1.930 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)NCc1cnn(Cc3ccccc3)c1)CC[NH2+]CC2 ZINC000072422805 522253073 /nfs/dbraw/zinc/25/30/73/522253073.db2.gz SMFAUMDPDNPJOJ-LJQANCHMSA-N 1 3 367.497 1.622 50 0 FDAAHO COCC[NH+]1CCC(CN2CCN(c3ncnc4[nH]ccc43)CC2)CC1 ZINC000067740534 523565899 /nfs/dbraw/zinc/56/58/99/523565899.db2.gz VBBBTNGSBLPXII-UHFFFAOYSA-N 1 3 358.490 1.438 50 0 FDAAHO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)NCCN3CCCC3)C2)cc1 ZINC000091665072 524758094 /nfs/dbraw/zinc/75/80/94/524758094.db2.gz UYRGPOGBVZEYJW-SJORKVTESA-N 1 3 358.486 1.371 50 0 FDAAHO Cc1c[nH+]ccc1N1CCCN(C(=O)NC2CCN(CCO)CC2)CC1 ZINC000584899435 551566850 /nfs/dbraw/zinc/56/68/50/551566850.db2.gz JOQLRXGGIDUBLC-UHFFFAOYSA-N 1 3 361.490 1.068 50 0 FDAAHO Nc1cc[nH+]c(-c2ccc(C(=O)NCCN3CCC[C@@H](CO)C3)cc2)c1 ZINC000426465256 571226628 /nfs/dbraw/zinc/22/66/28/571226628.db2.gz REYVPSFQQRZGCL-OAHLLOKOSA-N 1 3 354.454 1.765 50 0 FDAAHO [NH3+]CCOc1cccc(CC(=O)N2CCC(N3CCSCC3)CC2)c1 ZINC000426634008 571233984 /nfs/dbraw/zinc/23/39/84/571233984.db2.gz RNUSXQYCCVXWJI-UHFFFAOYSA-N 1 3 363.527 1.606 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)N1CCOCC1)CC[NH+](Cc1ccccn1)CC2 ZINC000257176305 793819924 /nfs/dbraw/zinc/81/99/24/793819924.db2.gz CFZULBIKCSJIKH-SFHVURJKSA-N 1 3 358.486 1.227 50 0 FDAAHO Cc1c(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000237773475 209353898 /nfs/dbraw/zinc/35/38/98/209353898.db2.gz VQYVBCIZWPNDNI-MRXNPFEDSA-N 1 3 360.506 1.505 50 0 FDAAHO Cc1cc(=O)oc2cc(NC(=O)[C@@H](C)NC(=O)[C@H](N)CCCC[NH3+])ccc12 ZINC000004556770 207027896 /nfs/dbraw/zinc/02/78/96/207027896.db2.gz BEIXTDYXKGFYLC-IUODEOHRSA-N 1 3 374.441 1.001 50 0 FDAAHO C/C=C(\C)CN1CCc2nnc([C@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1 ZINC000011971490 207332901 /nfs/dbraw/zinc/33/29/01/207332901.db2.gz RWYCRDZOWREPOP-UZPPOTPCSA-N 1 3 374.533 1.621 50 0 FDAAHO O=C(c1ccccc1)N1CCC(N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000092036991 209012269 /nfs/dbraw/zinc/01/22/69/209012269.db2.gz JKAFUOQEPRQUFO-WOJBJXKFSA-N 1 3 371.525 1.927 50 0 FDAAHO O=C(c1ccccc1)N1CCC([N@@H+]2C[C@H](CO)[C@H](CN3CCCC3)C2)CC1 ZINC000092036991 209012272 /nfs/dbraw/zinc/01/22/72/209012272.db2.gz JKAFUOQEPRQUFO-WOJBJXKFSA-N 1 3 371.525 1.927 50 0 FDAAHO O=C(c1ccccc1)N1CCC([N@H+]2C[C@H](CO)[C@H](CN3CCCC3)C2)CC1 ZINC000092036991 209012277 /nfs/dbraw/zinc/01/22/77/209012277.db2.gz JKAFUOQEPRQUFO-WOJBJXKFSA-N 1 3 371.525 1.927 50 0 FDAAHO O=C(c1cn(CC[C@H]2CCCC[NH2+]2)nn1)N1CCN(c2ccncc2)CC1 ZINC000077358784 132182491 /nfs/dbraw/zinc/18/24/91/132182491.db2.gz VVUFIRMQQNJFBY-MRXNPFEDSA-N 1 3 369.473 1.168 50 0 FDAAHO CCN(Cc1noc(C2CCC2)n1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072424701 522256207 /nfs/dbraw/zinc/25/62/07/522256207.db2.gz KABGWUYVACJYFK-OAHLLOKOSA-N 1 3 361.490 1.760 50 0 FDAAHO C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(c1ccnc3ccccc31)C2 ZINC000067605163 523511478 /nfs/dbraw/zinc/51/14/78/523511478.db2.gz WURWQHGCNLCBON-UHFFFAOYSA-N 1 3 364.453 1.743 50 0 FDAAHO Cc1cc(N2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)[C@@H]3C2)nc(N)n1 ZINC000082083166 524205857 /nfs/dbraw/zinc/20/58/57/524205857.db2.gz QKKRJLSJTYKFIA-LSDHHAIUSA-N 1 3 353.426 1.807 50 0 FDAAHO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccc5c(c4)OCO5)[C@@H]3C2)nc(N)n1 ZINC000082083166 524205868 /nfs/dbraw/zinc/20/58/68/524205868.db2.gz QKKRJLSJTYKFIA-LSDHHAIUSA-N 1 3 353.426 1.807 50 0 FDAAHO O=C(NCc1cc2n(n1)CCC[NH2+]C2)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000426534572 571230815 /nfs/dbraw/zinc/23/08/15/571230815.db2.gz YCPNFRYOTIBXCV-KRWDZBQOSA-N 1 3 368.485 1.450 50 0 FDAAHO Cc1ccc(C(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CN(C)C)s1 ZINC000169790889 672042691 /nfs/dbraw/zinc/04/26/91/672042691.db2.gz YUGAPZPCYDBZNU-GDBMZVCRSA-N 1 3 351.516 1.827 50 0 FDAAHO Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2CN(C)C)s1 ZINC000169790889 672042693 /nfs/dbraw/zinc/04/26/93/672042693.db2.gz YUGAPZPCYDBZNU-GDBMZVCRSA-N 1 3 351.516 1.827 50 0 FDAAHO CCn1cc(CN2CCC3(CC2)C[N@H+](C[C@@H]2CCCOC2)CCO3)cn1 ZINC000823603669 921972069 /nfs/dbraw/zinc/97/20/69/921972069.db2.gz DHXVJPUQMQAARA-SFHVURJKSA-N 1 3 362.518 1.996 50 0 FDAAHO CCn1cc(CN2CCC3(CC2)C[N@@H+](C[C@@H]2CCCOC2)CCO3)cn1 ZINC000823603669 921972071 /nfs/dbraw/zinc/97/20/71/921972071.db2.gz DHXVJPUQMQAARA-SFHVURJKSA-N 1 3 362.518 1.996 50 0 FDAAHO C[NH+]1CCC(C)(C(=O)N2CCC[C@@H](Cn3cc(C(C)(C)N)nn3)C2)CC1 ZINC000048200622 208388647 /nfs/dbraw/zinc/38/86/47/208388647.db2.gz UHTMNYFUWNNQDY-OAHLLOKOSA-N 1 3 362.522 1.442 50 0 FDAAHO CC(C)c1n[nH]c(C(=O)N(CCN(C)C)CC[NH+](C)C)c1Br ZINC000068423582 208746464 /nfs/dbraw/zinc/74/64/64/208746464.db2.gz MDQNCOYJOUEPNG-UHFFFAOYSA-N 1 3 374.327 1.861 50 0 FDAAHO CN1CCN([C@@H]2CC[N@H+](Cc3cccc(Cn4cccn4)c3)C[C@H]2O)CC1 ZINC000022913645 518919946 /nfs/dbraw/zinc/91/99/46/518919946.db2.gz WAFSTNBSPCJQBA-NHCUHLMSSA-N 1 3 369.513 1.114 50 0 FDAAHO CN1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cn4cccn4)c3)C[C@H]2O)CC1 ZINC000022913645 518919952 /nfs/dbraw/zinc/91/99/52/518919952.db2.gz WAFSTNBSPCJQBA-NHCUHLMSSA-N 1 3 369.513 1.114 50 0 FDAAHO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(F)ccc1-n1cccn1)CC2 ZINC000091548652 571193911 /nfs/dbraw/zinc/19/39/11/571193911.db2.gz YHNRLRAHULZTFZ-MOPGFXCFSA-N 1 3 374.460 1.702 50 0 FDAAHO COc1cc(NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCC[NH3+])cc2ccccc21 ZINC000001578628 210359740 /nfs/dbraw/zinc/35/97/40/210359740.db2.gz NVFAVOGMBNAYET-GUYCJALGSA-N 1 3 372.469 1.748 50 0 FDAAHO CCN1CC[C@@H](Cn2nc(C3CC[NH2+]CC3)n(Cc3ccccc3)c2=O)C1 ZINC000067789532 221285372 /nfs/dbraw/zinc/28/53/72/221285372.db2.gz ZKIPONGDXNOYLJ-GOSISDBHSA-N 1 3 369.513 1.902 50 0 FDAAHO O[C@]12CC[NH2+]C[C@H]1CN(C1CCN(c3ccc(F)c(F)c3)CC1)CC2 ZINC000091664195 132203017 /nfs/dbraw/zinc/20/30/17/132203017.db2.gz ZEFCPBHNCCFSAW-LIRRHRJNSA-N 1 3 351.441 1.980 50 0 FDAAHO O[C@]12CCNC[C@H]1C[N@@H+](C1CCN(c3ccc(F)c(F)c3)CC1)CC2 ZINC000091664195 132203018 /nfs/dbraw/zinc/20/30/18/132203018.db2.gz ZEFCPBHNCCFSAW-LIRRHRJNSA-N 1 3 351.441 1.980 50 0 FDAAHO O[C@]12CCNC[C@H]1C[N@H+](C1CCN(c3ccc(F)c(F)c3)CC1)CC2 ZINC000091664195 132203019 /nfs/dbraw/zinc/20/30/19/132203019.db2.gz ZEFCPBHNCCFSAW-LIRRHRJNSA-N 1 3 351.441 1.980 50 0 FDAAHO CN(C)CCOC(=O)C12CC3CC(C1)CC(C(=O)OCC[NH+](C)C)(C3)C2 ZINC000003899118 518281878 /nfs/dbraw/zinc/28/18/78/518281878.db2.gz UPHCHYFGXPHZMV-UHFFFAOYSA-N 1 3 366.502 1.783 50 0 FDAAHO COc1cc(CNC(C)(C)CO)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012576775 518621090 /nfs/dbraw/zinc/62/10/90/518621090.db2.gz XCTHKURALGCVKC-MRXNPFEDSA-N 1 3 354.491 1.636 50 0 FDAAHO COc1cc(CNC(C)(C)CO)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012576775 518621092 /nfs/dbraw/zinc/62/10/92/518621092.db2.gz XCTHKURALGCVKC-MRXNPFEDSA-N 1 3 354.491 1.636 50 0 FDAAHO CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072474924 522296452 /nfs/dbraw/zinc/29/64/52/522296452.db2.gz BMCHPFHRHCGHQF-IBGZPJMESA-N 1 3 367.497 1.905 50 0 FDAAHO NCc1cc(NC(=O)c2ccccn2)cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000077303661 523288679 /nfs/dbraw/zinc/28/86/79/523288679.db2.gz WYDCYGSHIRKUDF-KBXCAEBGSA-N 1 3 365.437 1.227 50 0 FDAAHO CCc1ccccc1N1CCN(C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)CC1 ZINC000072476214 535942742 /nfs/dbraw/zinc/94/27/42/535942742.db2.gz IJJUBQVOZRKBDZ-HXUWFJFHSA-N 1 3 370.541 1.972 50 0 FDAAHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238011591 570586190 /nfs/dbraw/zinc/58/61/90/570586190.db2.gz ADWNSGRSIHEAKS-WBVHZDCISA-N 1 3 367.877 1.022 50 0 FDAAHO COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(C[NH2+]C(C)C)c1 ZINC000012386221 670612643 /nfs/dbraw/zinc/61/26/43/670612643.db2.gz AEKIPJBDLGDRMA-QGZVFWFLSA-N 1 3 352.475 1.390 50 0 FDAAHO Cc1ccc2cc(C[NH+]3CCC(n4cc(CN)nn4)CC3)c(=O)[nH]c2c1 ZINC000023478381 786751581 /nfs/dbraw/zinc/75/15/81/786751581.db2.gz OVVOWECDZJQPCQ-UHFFFAOYSA-N 1 3 352.442 1.724 50 0 FDAAHO Cc1ccc(C[NH+]2CCC3(C[C@H](C(=O)N4CCOCC4)N(C)C3)CC2)o1 ZINC000581803452 927599713 /nfs/dbraw/zinc/59/97/13/927599713.db2.gz YVTJMDCXXRCLSQ-GOSISDBHSA-N 1 3 361.486 1.733 50 0 FDAAHO CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2 ZINC000014534454 211094689 /nfs/dbraw/zinc/09/46/89/211094689.db2.gz DMJSJAWKKXVHED-AWEZNQCLSA-N 1 3 354.520 1.172 50 0 FDAAHO CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014740777 211101110 /nfs/dbraw/zinc/10/11/10/211101110.db2.gz WMGNIDDQJHPSRI-UHFFFAOYSA-N 1 3 374.485 1.573 50 0 FDAAHO Cc1cnc(CNC(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)cn1 ZINC000071746653 221358326 /nfs/dbraw/zinc/35/83/26/221358326.db2.gz ICRPUNQKMONVRJ-KRWDZBQOSA-N 1 3 359.518 1.986 50 0 FDAAHO Cc1ccc(OCC[NH3+])c(C(=O)N2CCC(N3CCSCC3)CC2)c1 ZINC000426728115 263664798 /nfs/dbraw/zinc/66/47/98/263664798.db2.gz BDSCGTCQYVRERV-UHFFFAOYSA-N 1 3 363.527 1.986 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)NCc1cccc(OC(F)F)c1)CC[NH2+]CC2 ZINC000072431641 522268936 /nfs/dbraw/zinc/26/89/36/522268936.db2.gz ULKXSYSYLCWJDV-OAHLLOKOSA-N 1 3 353.413 1.978 50 0 FDAAHO Cc1ccc2c(c1)c(CNC(=O)[C@H]1CC3(CN1C)CC[NH2+]CC3)nn2C ZINC000072453754 522281834 /nfs/dbraw/zinc/28/18/34/522281834.db2.gz ZBHTYPUSHAXLGX-GOSISDBHSA-N 1 3 355.486 1.572 50 0 FDAAHO CN(C)Cc1csc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c1 ZINC000095522707 525101116 /nfs/dbraw/zinc/10/11/16/525101116.db2.gz KQLNWSRWHDNNKY-QZTJIDSGSA-N 1 3 366.575 1.097 50 0 FDAAHO CN(C)Cc1csc(C[N@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c1 ZINC000095522707 525101123 /nfs/dbraw/zinc/10/11/23/525101123.db2.gz KQLNWSRWHDNNKY-QZTJIDSGSA-N 1 3 366.575 1.097 50 0 FDAAHO O=C(NCCN1CCCC[C@@H]1CO)C1CC[NH+](C2CCCCC2)CC1 ZINC000670449593 571352060 /nfs/dbraw/zinc/35/20/60/571352060.db2.gz RAWUTHFXJIQVOI-LJQANCHMSA-N 1 3 351.535 1.994 50 0 FDAAHO CSCCC[NH2+]Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 ZINC000015079345 670626922 /nfs/dbraw/zinc/62/69/22/670626922.db2.gz CGHIDSFUYVPYDJ-GOSISDBHSA-N 1 3 368.543 1.726 50 0 FDAAHO Cc1cc(CN2CCC3(C[C@H](C(=O)N4CCCC4)[N@H+](C)C3)CC2)n(C)n1 ZINC000675011238 795205534 /nfs/dbraw/zinc/20/55/34/795205534.db2.gz RDRLCTLGWPYQKD-GOSISDBHSA-N 1 3 359.518 1.637 50 0 FDAAHO Cc1cc(CN2CCC3(C[C@H](C(=O)N4CCCC4)[N@@H+](C)C3)CC2)n(C)n1 ZINC000675011238 795205540 /nfs/dbraw/zinc/20/55/40/795205540.db2.gz RDRLCTLGWPYQKD-GOSISDBHSA-N 1 3 359.518 1.637 50 0 FDAAHO C[C@@H](Cn1nc(C2CC[NH2+]CC2)n(-c2ccccc2)c1=O)N1CCCC1 ZINC000067755067 837231812 /nfs/dbraw/zinc/23/18/12/837231812.db2.gz KRCGSHNFPCVATK-INIZCTEOSA-N 1 3 355.486 1.985 50 0 FDAAHO COCC[N@@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)CN1CCCCCC1)CC2 ZINC000169792929 907120865 /nfs/dbraw/zinc/12/08/65/907120865.db2.gz PLSSTFUHRFUTDH-SFHVURJKSA-N 1 3 367.534 1.042 50 0 FDAAHO COCC[N@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)CN1CCCCCC1)CC2 ZINC000169792929 907120875 /nfs/dbraw/zinc/12/08/75/907120875.db2.gz PLSSTFUHRFUTDH-SFHVURJKSA-N 1 3 367.534 1.042 50 0 FDAAHO CN(C)CCN(C[C@H]1CCCO1)c1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065385636 221208530 /nfs/dbraw/zinc/20/85/30/221208530.db2.gz XYBQAHUWZBBFKP-CYBMUJFWSA-N 1 3 361.515 1.884 50 0 FDAAHO Cn1ccnc(N2CCC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)c1=O ZINC000291424798 132305401 /nfs/dbraw/zinc/30/54/01/132305401.db2.gz ILWDMFQYEORWFO-QGZVFWFLSA-N 1 3 368.485 1.403 50 0 FDAAHO O=C(NCCOCc1ccccc1)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000096132537 222038176 /nfs/dbraw/zinc/03/81/76/222038176.db2.gz ULCXWPJIDTUBSJ-WIYYLYMNSA-N 1 3 357.498 1.783 50 0 FDAAHO O=C(NCCOCc1ccccc1)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000096132537 222038179 /nfs/dbraw/zinc/03/81/79/222038179.db2.gz ULCXWPJIDTUBSJ-WIYYLYMNSA-N 1 3 357.498 1.783 50 0 FDAAHO Cc1ncccc1OC1(C(=O)N2CCN3CCC[C@H]3[C@H]2C)CC[NH2+]CC1 ZINC000106267876 222384875 /nfs/dbraw/zinc/38/48/75/222384875.db2.gz DTUYAVIIZLGBCF-SJORKVTESA-N 1 3 358.486 1.586 50 0 FDAAHO Cc1nc(C2CC[NH2+]CC2)cc(N2CCN(CC(C)C)[C@@H](CCO)C2)n1 ZINC000106692417 222388172 /nfs/dbraw/zinc/38/81/72/222388172.db2.gz UVJOUBYBMRVKDN-SFHVURJKSA-N 1 3 361.534 1.781 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)NC1CCN(C(=O)c3ccco3)CC1)CC[NH2+]CC2 ZINC000072422493 522254263 /nfs/dbraw/zinc/25/42/63/522254263.db2.gz CUNHAYZSWZVQHQ-INIZCTEOSA-N 1 3 374.485 1.074 50 0 FDAAHO Cc1nnc(SCCCNC(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)s1 ZINC000072422672 522254449 /nfs/dbraw/zinc/25/44/49/522254449.db2.gz CLYXKUUTZBQROZ-CYBMUJFWSA-N 1 3 369.560 1.519 50 0 FDAAHO CCC[NH+]1CCC(N2CCC3(C[C@@H]4C(=O)N(CC)C(=O)N4C3)CC2)CC1 ZINC000581803634 927599980 /nfs/dbraw/zinc/59/99/80/927599980.db2.gz OTFUASOEJGOBOH-QGZVFWFLSA-N 1 3 362.518 1.999 50 0 FDAAHO COc1ccccc1NC(=O)CC[NH2+]C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063870974 212035824 /nfs/dbraw/zinc/03/58/24/212035824.db2.gz MBELZLHREQYHIF-UYAOXDASSA-N 1 3 361.486 1.993 50 0 FDAAHO CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+]([C@@H](C)CSC)CC2 ZINC000014749196 211099595 /nfs/dbraw/zinc/09/95/95/211099595.db2.gz BCPVBXDBSJYFBS-AWEZNQCLSA-N 1 3 356.536 1.418 50 0 FDAAHO CN(C)CCN1C(=O)N[C@](CCc2ccccc2)(C2CC[NH2+]CC2)C1=O ZINC000067472700 221255326 /nfs/dbraw/zinc/25/53/26/221255326.db2.gz VMOIDKKMKZQDPV-HXUWFJFHSA-N 1 3 358.486 1.471 50 0 FDAAHO Cc1cc(C)n(CC2(CNC(=O)[C@H]3CC4(CN3C)CC[NH2+]CC4)CC2)n1 ZINC000072419701 522246971 /nfs/dbraw/zinc/24/69/71/522246971.db2.gz ANYFYDGJJKTABE-QGZVFWFLSA-N 1 3 359.518 1.470 50 0 FDAAHO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(OC(F)F)cc1)CC2 ZINC000091487147 524716381 /nfs/dbraw/zinc/71/63/81/524716381.db2.gz JSCFJACEOAWOBM-CVEARBPZSA-N 1 3 356.413 1.979 50 0 FDAAHO O=C(NCc1cn2ccsc2n1)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065426458 221217662 /nfs/dbraw/zinc/21/76/62/221217662.db2.gz MFJMNLDBLRIGQL-FZKQIMNGSA-N 1 3 359.499 1.476 50 0 FDAAHO O=C(NCc1cn2ccsc2n1)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065426458 221217664 /nfs/dbraw/zinc/21/76/64/221217664.db2.gz MFJMNLDBLRIGQL-FZKQIMNGSA-N 1 3 359.499 1.476 50 0 FDAAHO Cc1sc2nc(CC[NH3+])nc(NC[C@@H]3CCCN(CCO)C3)c2c1C ZINC000065460502 221221459 /nfs/dbraw/zinc/22/14/59/221221459.db2.gz JVBSGHBRSDUIFW-AWEZNQCLSA-N 1 3 363.531 1.926 50 0 FDAAHO COCCC[N@@H+]1CC[C@H](Cn2cnc3sc4c(c3c2=O)CCNC4)C1 ZINC000065536205 221232494 /nfs/dbraw/zinc/23/24/94/221232494.db2.gz QEKKUNBSXYFDDA-ZDUSSCGKSA-N 1 3 362.499 1.462 50 0 FDAAHO COCCC[N@H+]1CC[C@H](Cn2cnc3sc4c(c3c2=O)CCNC4)C1 ZINC000065536205 221232495 /nfs/dbraw/zinc/23/24/95/221232495.db2.gz QEKKUNBSXYFDDA-ZDUSSCGKSA-N 1 3 362.499 1.462 50 0 FDAAHO C[NH+](C)C1CCN(C(C)(C)CNCc2cnc(N3CCCC3)nc2)CC1 ZINC000068988057 221319964 /nfs/dbraw/zinc/31/99/64/221319964.db2.gz HAFRCVOROGDUHF-UHFFFAOYSA-N 1 3 360.550 1.971 50 0 FDAAHO COCCN(C)Cc1ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000012303503 518601075 /nfs/dbraw/zinc/60/10/75/518601075.db2.gz YEALUTNJJJBIFX-KRWDZBQOSA-N 1 3 354.491 1.853 50 0 FDAAHO COCCN(C)Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000012303503 518601081 /nfs/dbraw/zinc/60/10/81/518601081.db2.gz YEALUTNJJJBIFX-KRWDZBQOSA-N 1 3 354.491 1.853 50 0 FDAAHO Cc1nn(C)cc1CN1CCC2(C[C@@H](C(=O)N3CCCC3)[N@H+](C)C2)CC1 ZINC000675008935 795199580 /nfs/dbraw/zinc/19/95/80/795199580.db2.gz BPJSBQVCQTYVLZ-SFHVURJKSA-N 1 3 359.518 1.637 50 0 FDAAHO Cc1nn(C)cc1CN1CCC2(C[C@@H](C(=O)N3CCCC3)[N@@H+](C)C2)CC1 ZINC000675008935 795199583 /nfs/dbraw/zinc/19/95/83/795199583.db2.gz BPJSBQVCQTYVLZ-SFHVURJKSA-N 1 3 359.518 1.637 50 0 FDAAHO CCOC(=O)N1CCN([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000023232361 211380480 /nfs/dbraw/zinc/38/04/80/211380480.db2.gz UKSNOIXDASHJCO-MSOLQXFVSA-N 1 3 359.470 1.498 50 0 FDAAHO CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+]([C@H](C)CSC)CC2 ZINC000014749197 211099898 /nfs/dbraw/zinc/09/98/98/211099898.db2.gz BCPVBXDBSJYFBS-CQSZACIVSA-N 1 3 356.536 1.418 50 0 FDAAHO OC[C@@H]1CN(Cc2nccs2)CCC12CC[NH+](Cc1c[nH]cn1)CC2 ZINC000097743460 222210191 /nfs/dbraw/zinc/21/01/91/222210191.db2.gz BVRGYUQQHMLDLX-HNNXBMFYSA-N 1 3 361.515 1.963 50 0 FDAAHO Cc1cc(=O)oc2cc(NC(=O)[C@H](C)NC(=O)[C@H](N)CCCC[NH3+])ccc12 ZINC000004556771 518302294 /nfs/dbraw/zinc/30/22/94/518302294.db2.gz BEIXTDYXKGFYLC-SWLSCSKDSA-N 1 3 374.441 1.001 50 0 FDAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3cc4c(cc3C)OCO4)CC[C@H]21 ZINC000072436477 522275260 /nfs/dbraw/zinc/27/52/60/522275260.db2.gz XZPCUKARKSLZBG-DOTOQJQBSA-N 1 3 359.470 1.756 50 0 FDAAHO CN(C)Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c1 ZINC000072473077 522292836 /nfs/dbraw/zinc/29/28/36/522292836.db2.gz GWTHNIXWGUYNIF-VQTJNVASSA-N 1 3 359.514 1.944 50 0 FDAAHO CN(C)Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c1 ZINC000072473077 522292845 /nfs/dbraw/zinc/29/28/45/522292845.db2.gz GWTHNIXWGUYNIF-VQTJNVASSA-N 1 3 359.514 1.944 50 0 FDAAHO CC[NH+]1CCC(N2CCN(C)[C@@]3(C2)CCC(=O)N(CCOC)CC3)CC1 ZINC000091931326 524813097 /nfs/dbraw/zinc/81/30/97/524813097.db2.gz BXGIJZXVXXJVEK-FQEVSTJZSA-N 1 3 366.550 1.116 50 0 FDAAHO COC(=O)C1CCN(C[C@@H](O)COc2ccc(C[NH+]3CCC3)cc2)CC1 ZINC000095498938 525079472 /nfs/dbraw/zinc/07/94/72/525079472.db2.gz VFABJULFOOVEGK-GOSISDBHSA-N 1 3 362.470 1.517 50 0 FDAAHO COC(=O)C1CCN(C[C@@H](O)COc2cccc(C[NH+]3CCC3)c2)CC1 ZINC000095506929 525090458 /nfs/dbraw/zinc/09/04/58/525090458.db2.gz GJEGRSVACMKJLP-GOSISDBHSA-N 1 3 362.470 1.517 50 0 FDAAHO COCCCN1CCN([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000020540753 211284910 /nfs/dbraw/zinc/28/49/10/211284910.db2.gz KZDUUWPRYHLLNI-UXHICEINSA-N 1 3 359.514 1.378 50 0 FDAAHO Cc1ncc2c(c1CNC[C@]1(O)CCCN(CC3CCC3)C1=O)CC[NH2+]C2 ZINC000067785996 221283967 /nfs/dbraw/zinc/28/39/67/221283967.db2.gz GKTCRVFGBQZUNN-OAQYLSRUSA-N 1 3 372.513 1.279 50 0 FDAAHO C[C@H](C[NH+](C)C)Sc1nc2ccccc2c(=O)n1O[C@@H](C)CN(C)C ZINC000002409305 518241482 /nfs/dbraw/zinc/24/14/82/518241482.db2.gz AKYMJUSVGAWJBS-UONOGXRCSA-N 1 3 364.515 1.817 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)NCc1ccc(N3CCCC3=O)cc1)CC[NH2+]CC2 ZINC000072409670 522239454 /nfs/dbraw/zinc/23/94/54/522239454.db2.gz HRMMEFDUBMYHBM-SFHVURJKSA-N 1 3 370.497 1.504 50 0 FDAAHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238159417 570591191 /nfs/dbraw/zinc/59/11/91/570591191.db2.gz LVYSGFRZOWDCFD-IBGZPJMESA-N 1 3 357.498 1.649 50 0 FDAAHO N[C@@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)C[C@H]1c1cccc(F)c1 ZINC000685942145 571103008 /nfs/dbraw/zinc/10/30/08/571103008.db2.gz LPOSNCFPSYGFDY-JKSUJKDBSA-N 1 3 357.433 1.583 50 0 FDAAHO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)N1CCN(c2ccncc2)CC1 ZINC000426358295 571214689 /nfs/dbraw/zinc/21/46/89/571214689.db2.gz KEGCLYMQSOOGQV-MRXNPFEDSA-N 1 3 354.458 1.094 50 0 FDAAHO CN(C)CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071755097 221365560 /nfs/dbraw/zinc/36/55/60/221365560.db2.gz DXKFARIFSNNIKH-IBGZPJMESA-N 1 3 373.545 1.436 50 0 FDAAHO CN(C)CCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071755097 221365562 /nfs/dbraw/zinc/36/55/62/221365562.db2.gz DXKFARIFSNNIKH-IBGZPJMESA-N 1 3 373.545 1.436 50 0 FDAAHO O=C(CCCCCCC(=O)NCC[NH+]1CCCC1)NCCN1CCCC1 ZINC000003901893 518281962 /nfs/dbraw/zinc/28/19/62/518281962.db2.gz DEKJDTSDCUOSLH-UHFFFAOYSA-N 1 3 366.550 1.751 50 0 FDAAHO CC[NH+](CC)C[C@H](O)COc1cc(CN(C)CCOC)ccc1OC ZINC000012835479 518639268 /nfs/dbraw/zinc/63/92/68/518639268.db2.gz WJXPBNPCJJMSTG-KRWDZBQOSA-N 1 3 354.491 1.855 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cnn2c1 ZINC000072166991 522194986 /nfs/dbraw/zinc/19/49/86/522194986.db2.gz QDKOMQDNDAQGLH-FQEVSTJZSA-N 1 3 370.501 1.787 50 0 FDAAHO CN(Cc1ccc2nsnc2c1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072429132 522264877 /nfs/dbraw/zinc/26/48/77/522264877.db2.gz FPYFXSQKBMUWEJ-MRXNPFEDSA-N 1 3 359.499 1.724 50 0 FDAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1nnc3n1CCC3)CC[NH+](C)CC2 ZINC000072468916 522290544 /nfs/dbraw/zinc/29/05/44/522290544.db2.gz WZCRDJDIJCRJHB-OAHLLOKOSA-N 1 3 360.506 1.037 50 0 FDAAHO O=C(N[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CN(CCN1CCCCC1)C2=O ZINC000077522991 523370515 /nfs/dbraw/zinc/37/05/15/523370515.db2.gz LKXWVAUROHNOHN-QGZVFWFLSA-N 1 3 356.470 1.220 50 0 FDAAHO O=C(NCC1CCN(CCO)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176347146 525088890 /nfs/dbraw/zinc/08/88/90/525088890.db2.gz VLCRQGOYUYPVMB-UHFFFAOYSA-N 1 3 366.550 1.787 50 0 FDAAHO CCC[N@H+](C)Cc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(OC)c1 ZINC000095513053 525095552 /nfs/dbraw/zinc/09/55/52/525095552.db2.gz WPVWSOXWEFCNSZ-GOSISDBHSA-N 1 3 366.502 1.733 50 0 FDAAHO CCC[N@@H+](C)Cc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(OC)c1 ZINC000095513053 525095557 /nfs/dbraw/zinc/09/55/57/525095557.db2.gz WPVWSOXWEFCNSZ-GOSISDBHSA-N 1 3 366.502 1.733 50 0 FDAAHO COc1cc(CN(C)CCO)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095523740 525101698 /nfs/dbraw/zinc/10/16/98/525101698.db2.gz YOHCLGOWDREJMZ-GOSISDBHSA-N 1 3 366.502 1.735 50 0 FDAAHO COc1ccc(CN(C)CCO)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095528482 525105317 /nfs/dbraw/zinc/10/53/17/525105317.db2.gz NACXTUBDRZGLQW-KRWDZBQOSA-N 1 3 352.475 1.345 50 0 FDAAHO COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(CN2CCCC2)c1 ZINC000012112253 873836271 /nfs/dbraw/zinc/83/62/71/873836271.db2.gz GTMCEJMFJFCHOU-GOSISDBHSA-N 1 3 364.486 1.487 50 0 FDAAHO CN1CC[C@H](Cn2nc(CC3CC[NH2+]CC3)n(-c3ccccc3)c2=O)C1 ZINC000065417612 221216500 /nfs/dbraw/zinc/21/65/00/221216500.db2.gz GTLBXKAYBATBNU-KRWDZBQOSA-N 1 3 355.486 1.528 50 0 FDAAHO O=C(NCc1nc2ccccc2[nH]1)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000067982980 221312130 /nfs/dbraw/zinc/31/21/30/221312130.db2.gz DTFLBSNDCBOZNQ-JLTOFOAXSA-N 1 3 353.470 1.643 50 0 FDAAHO O=C(NCc1nc2ccccc2[nH]1)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000067982980 221312133 /nfs/dbraw/zinc/31/21/33/221312133.db2.gz DTFLBSNDCBOZNQ-JLTOFOAXSA-N 1 3 353.470 1.643 50 0 FDAAHO Cn1ccnc(N2CCC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)c1=O ZINC000291424795 132305517 /nfs/dbraw/zinc/30/55/17/132305517.db2.gz ILWDMFQYEORWFO-KRWDZBQOSA-N 1 3 368.485 1.403 50 0 FDAAHO Cc1cc(N2CCCN(Cc3cccc(OCC(N)=O)c3)CC2)cc[nH+]1 ZINC000072142986 522167603 /nfs/dbraw/zinc/16/76/03/522167603.db2.gz UKBBJUSMWPTBED-UHFFFAOYSA-N 1 3 354.454 1.966 50 0 FDAAHO CCCN1CC2(C[C@@H]1C(=O)NCC1(Cn3ccnc3)CC1)CC[NH+](C)CC2 ZINC000072469790 522290338 /nfs/dbraw/zinc/29/03/38/522290338.db2.gz HBFBWWRVHZIHQK-GOSISDBHSA-N 1 3 373.545 1.976 50 0 FDAAHO C[C@@H](N)C(=O)N1CCC2(CN(CC[N@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077564127 523385114 /nfs/dbraw/zinc/38/51/14/523385114.db2.gz AINMMCHMUXRSFT-OAHLLOKOSA-N 1 3 366.506 1.412 50 0 FDAAHO C[C@@H](N)C(=O)N1CCC2(CN(CC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077564127 523385126 /nfs/dbraw/zinc/38/51/26/523385126.db2.gz AINMMCHMUXRSFT-OAHLLOKOSA-N 1 3 366.506 1.412 50 0 FDAAHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000269251217 524655936 /nfs/dbraw/zinc/65/59/36/524655936.db2.gz PAYILMHUISOEBA-WSTZPKSXSA-N 1 3 358.530 1.746 50 0 FDAAHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000269251217 524655943 /nfs/dbraw/zinc/65/59/43/524655943.db2.gz PAYILMHUISOEBA-WSTZPKSXSA-N 1 3 358.530 1.746 50 0 FDAAHO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 ZINC000095360198 525033811 /nfs/dbraw/zinc/03/38/11/525033811.db2.gz GVAVKNRXWZEENG-QUCCMNQESA-N 1 3 363.550 1.247 50 0 FDAAHO Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 ZINC000095360198 525033819 /nfs/dbraw/zinc/03/38/19/525033819.db2.gz GVAVKNRXWZEENG-QUCCMNQESA-N 1 3 363.550 1.247 50 0 FDAAHO O=C(CCC1CC[NH+](CCO)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000095530585 525106350 /nfs/dbraw/zinc/10/63/50/525106350.db2.gz IRNIXKJAFGTQKU-HXUWFJFHSA-N 1 3 359.514 1.862 50 0 FDAAHO Cn1c(CNCC2(c3ccccc3)CCOCC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223616842 537530518 /nfs/dbraw/zinc/53/05/18/537530518.db2.gz VLNHPFYGJOPGEP-JCNLHEQBSA-N 1 3 355.486 1.858 50 0 FDAAHO Cc1nc(C2CC[NH2+]CC2)cc(N2C[C@@]3(C)CN(C)C[C@@](C)(C2)C3O)n1 ZINC000067820514 221289719 /nfs/dbraw/zinc/28/97/19/221289719.db2.gz TXPDEEPZRLGRRJ-IHWFROFDSA-N 1 3 359.518 1.391 50 0 FDAAHO COc1ccc2cc(CN3CCC(O)(C[NH+]4CCCC4)CC3)c(=O)[nH]c2c1 ZINC000067834377 221293004 /nfs/dbraw/zinc/29/30/04/221293004.db2.gz DYKWSEMAVCRYIB-UHFFFAOYSA-N 1 3 371.481 1.959 50 0 FDAAHO CN(C)CC(C)(C)CNc1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000072473088 522292675 /nfs/dbraw/zinc/29/26/75/522292675.db2.gz HACYWAFXNOVIKI-CYBMUJFWSA-N 1 3 369.535 1.347 50 0 FDAAHO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(CN3CCCCC3)cc2)C[C@@H]1CO ZINC000092062482 524835452 /nfs/dbraw/zinc/83/54/52/524835452.db2.gz IKRGITVXNNNGKR-WOJBJXKFSA-N 1 3 359.514 1.915 50 0 FDAAHO COc1ccc(CN(C)CCO)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095528481 525104680 /nfs/dbraw/zinc/10/46/80/525104680.db2.gz NACXTUBDRZGLQW-QGZVFWFLSA-N 1 3 352.475 1.345 50 0 FDAAHO COCC[NH+]1CCC(CN2CCN(c3ccc(Cl)nn3)CC2)CC1 ZINC000065536535 536857444 /nfs/dbraw/zinc/85/74/44/536857444.db2.gz QLAWOFOIDNTSMO-UHFFFAOYSA-N 1 3 353.898 1.610 50 0 FDAAHO Cn1c(CN2CCC(N3CCSCC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000240128276 537645543 /nfs/dbraw/zinc/64/55/43/537645543.db2.gz IPHHQPMQYFPGDG-HDJSIYSDSA-N 1 3 350.536 1.033 50 0 FDAAHO Cc1ccc2cc(C[N@@H+]3CCC[C@H](Cn4cc(CN)nn4)C3)c(=O)[nH]c2c1 ZINC000023340133 785655445 /nfs/dbraw/zinc/65/54/45/785655445.db2.gz GGXHKGWMAJUEAQ-HNNXBMFYSA-N 1 3 366.469 1.799 50 0 FDAAHO Cc1ccc2cc(C[N@H+]3CCC[C@H](Cn4cc(CN)nn4)C3)c(=O)[nH]c2c1 ZINC000023340133 785655449 /nfs/dbraw/zinc/65/54/49/785655449.db2.gz GGXHKGWMAJUEAQ-HNNXBMFYSA-N 1 3 366.469 1.799 50 0 FDAAHO CC(C)N1CC(C(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)C1 ZINC000019794980 792360087 /nfs/dbraw/zinc/36/00/87/792360087.db2.gz RZHOVNNERMESRK-UXHICEINSA-N 1 3 371.525 1.864 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)NCC[C@H]3CCC[N@@H+]3C)cnn2c1 ZINC000067515235 221258226 /nfs/dbraw/zinc/25/82/26/221258226.db2.gz PVYXTYTZQVPAOP-MRXNPFEDSA-N 1 3 358.490 1.785 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)NCC[C@H]3CCC[N@H+]3C)cnn2c1 ZINC000067515235 221258229 /nfs/dbraw/zinc/25/82/29/221258229.db2.gz PVYXTYTZQVPAOP-MRXNPFEDSA-N 1 3 358.490 1.785 50 0 FDAAHO CN1CCC[C@@H]1CCn1nc(C2CC[NH2+]CC2)n(-c2ccccc2)c1=O ZINC000067674092 221268276 /nfs/dbraw/zinc/26/82/76/221268276.db2.gz HROKDLFYXIPCCU-QGZVFWFLSA-N 1 3 355.486 1.985 50 0 FDAAHO Cc1cc(C[NH+]2CCC([C@H](C)N3CCOCC3)CC2)c(C)n1-n1cnnc1 ZINC000067758768 221283657 /nfs/dbraw/zinc/28/36/57/221283657.db2.gz ZGMVCRRDJUJQDO-KRWDZBQOSA-N 1 3 372.517 1.941 50 0 FDAAHO O=C1N[C@@](c2ccccn2)(C2CC[NH2+]CC2)C(=O)N1CCN1CCCCC1 ZINC000067786333 221285531 /nfs/dbraw/zinc/28/55/31/221285531.db2.gz QHZRJSXPGPNLJO-HXUWFJFHSA-N 1 3 371.485 1.314 50 0 FDAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)N(C)Cc3nccn3C)C2)CC1 ZINC000071422257 221347301 /nfs/dbraw/zinc/34/73/01/221347301.db2.gz UBHDJEIGUOJKCX-QGZVFWFLSA-N 1 3 361.534 1.963 50 0 FDAAHO COc1cc(CNCCNC(C)=O)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000011838275 518573390 /nfs/dbraw/zinc/57/33/90/518573390.db2.gz DBLAHXGESDMTGH-QGZVFWFLSA-N 1 3 367.490 1.001 50 0 FDAAHO COc1cc(CNCCNC(C)=O)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000011838275 518573399 /nfs/dbraw/zinc/57/33/99/518573399.db2.gz DBLAHXGESDMTGH-QGZVFWFLSA-N 1 3 367.490 1.001 50 0 FDAAHO CCCN1CC2(C[C@H]1C(=O)NCC1(Cn3ccnc3)CC1)CC[NH+](C)CC2 ZINC000072469793 522289643 /nfs/dbraw/zinc/28/96/43/522289643.db2.gz HBFBWWRVHZIHQK-SFHVURJKSA-N 1 3 373.545 1.976 50 0 FDAAHO CCCN1CC2(C[C@@H]1C(=O)NCCn1ccnc1CC)CC[NH+](C)CC2 ZINC000072478955 522304119 /nfs/dbraw/zinc/30/41/19/522304119.db2.gz SNQBFVITJAGYRP-QGZVFWFLSA-N 1 3 361.534 1.758 50 0 FDAAHO CN(C)CCN(C)C[C@@H]1C[N@H+](Cc2cccc3c2ccn3C)C[C@@H]1CO ZINC000091809128 524789420 /nfs/dbraw/zinc/78/94/20/524789420.db2.gz FEKWTNHVHUKIFX-RTBURBONSA-N 1 3 358.530 1.712 50 0 FDAAHO CN(C)CCN(C)C[C@@H]1C[N@@H+](Cc2cccc3c2ccn3C)C[C@@H]1CO ZINC000091809128 524789430 /nfs/dbraw/zinc/78/94/30/524789430.db2.gz FEKWTNHVHUKIFX-RTBURBONSA-N 1 3 358.530 1.712 50 0 FDAAHO COCCN1CCC[C@H](CNC(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000670453170 571352861 /nfs/dbraw/zinc/35/28/61/571352861.db2.gz ZYLQEUCITGQPQE-QGZVFWFLSA-N 1 3 367.534 1.352 50 0 FDAAHO CN1CC2(C[C@H]1C(=O)N1CCOCC1)CC[NH+](Cc1ccncc1)CC2 ZINC000581802577 787011720 /nfs/dbraw/zinc/01/17/20/787011720.db2.gz KXQVYPVGRZSXDI-SFHVURJKSA-N 1 3 358.486 1.227 50 0 FDAAHO CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000014534453 220126060 /nfs/dbraw/zinc/12/60/60/220126060.db2.gz DMJSJAWKKXVHED-CQSZACIVSA-N 1 3 354.520 1.172 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)NC[C@@H]3CCC[N@@H+]3CC)cnn2c1 ZINC000067895154 221302959 /nfs/dbraw/zinc/30/29/59/221302959.db2.gz CYEOSFXIHRUMPB-INIZCTEOSA-N 1 3 358.490 1.785 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)NC[C@@H]3CCC[N@H+]3CC)cnn2c1 ZINC000067895154 221302960 /nfs/dbraw/zinc/30/29/60/221302960.db2.gz CYEOSFXIHRUMPB-INIZCTEOSA-N 1 3 358.490 1.785 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cnn2c1 ZINC000072166990 522193775 /nfs/dbraw/zinc/19/37/75/522193775.db2.gz QDKOMQDNDAQGLH-HXUWFJFHSA-N 1 3 370.501 1.787 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)NCc1ccc(N3CCCC3=O)cc1)CC[NH2+]CC2 ZINC000072409669 522240679 /nfs/dbraw/zinc/24/06/79/522240679.db2.gz HRMMEFDUBMYHBM-GOSISDBHSA-N 1 3 370.497 1.504 50 0 FDAAHO CN1CC2(C[C@@H]1C(=O)NCCOc1ccccc1Cl)CC[NH2+]CC2 ZINC000072422782 522252386 /nfs/dbraw/zinc/25/23/86/522252386.db2.gz FXOQIDFTGKWLDE-OAHLLOKOSA-N 1 3 351.878 1.909 50 0 FDAAHO c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc(OCCCCN2CCOCC2)c1 ZINC000214983521 568037758 /nfs/dbraw/zinc/03/77/58/568037758.db2.gz CQJZTEGHJZAMDD-BGYRXZFFSA-N 1 3 359.514 1.829 50 0 FDAAHO CN1CCCN(CC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000248007307 672530335 /nfs/dbraw/zinc/53/03/35/672530335.db2.gz COZPDUICPBBXNO-SFHVURJKSA-N 1 3 350.551 1.927 50 0 FDAAHO CN1CCCN(CC(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000248007307 672530339 /nfs/dbraw/zinc/53/03/39/672530339.db2.gz COZPDUICPBBXNO-SFHVURJKSA-N 1 3 350.551 1.927 50 0 FDAAHO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000058008140 221096714 /nfs/dbraw/zinc/09/67/14/221096714.db2.gz BOQRRDGCEHORNG-SFHVURJKSA-N 1 3 358.486 1.948 50 0 FDAAHO NC(=O)NC(=O)CC[N@H+]1CCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000058008140 221096716 /nfs/dbraw/zinc/09/67/16/221096716.db2.gz BOQRRDGCEHORNG-SFHVURJKSA-N 1 3 358.486 1.948 50 0 FDAAHO CN1CC[C@@H](Cn2nc(CC3CC[NH2+]CC3)n(-c3ccccc3)c2=O)C1 ZINC000065417613 221216183 /nfs/dbraw/zinc/21/61/83/221216183.db2.gz GTLBXKAYBATBNU-QGZVFWFLSA-N 1 3 355.486 1.528 50 0 FDAAHO O=C1NC2(CC[NH2+]CC2)C(=O)N1CCN1CCC(c2ccccc2)CC1 ZINC000077354254 523306179 /nfs/dbraw/zinc/30/61/79/523306179.db2.gz FHNWJNKZANRICP-UHFFFAOYSA-N 1 3 356.470 1.540 50 0 FDAAHO CCc1cc(N2CCC(N3CCC[NH2+]CC3)CC2)nc(N2CCOCC2)n1 ZINC000095524263 536145366 /nfs/dbraw/zinc/14/53/66/536145366.db2.gz SZEIJDXNAKSERF-UHFFFAOYSA-N 1 3 374.533 1.140 50 0 FDAAHO CCc1cc(N2CCC([N@@H+]3CCCNCC3)CC2)nc(N2CCOCC2)n1 ZINC000095524263 536145370 /nfs/dbraw/zinc/14/53/70/536145370.db2.gz SZEIJDXNAKSERF-UHFFFAOYSA-N 1 3 374.533 1.140 50 0 FDAAHO CCc1cc(N2CCC([N@H+]3CCCNCC3)CC2)nc(N2CCOCC2)n1 ZINC000095524263 536145374 /nfs/dbraw/zinc/14/53/74/536145374.db2.gz SZEIJDXNAKSERF-UHFFFAOYSA-N 1 3 374.533 1.140 50 0 FDAAHO COc1ccccc1NC(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000222036054 537502046 /nfs/dbraw/zinc/50/20/46/537502046.db2.gz JBAAVTAVWKTNMZ-PKOBYXMFSA-N 1 3 374.529 1.982 50 0 FDAAHO CN1CCC(N2C(=O)N[C@@](Cc3ccccc3)(C3CC[NH2+]CC3)C2=O)CC1 ZINC000067878516 221299291 /nfs/dbraw/zinc/29/92/91/221299291.db2.gz CYDNOVVTZDKJPB-NRFANRHFSA-N 1 3 370.497 1.614 50 0 FDAAHO O[C@@H]1CCC[N@H+](CCCNc2nc(-c3cccnc3)nc3c2CCNC3)C1 ZINC000071730453 221356771 /nfs/dbraw/zinc/35/67/71/221356771.db2.gz UFUQFWRFTNEBLY-MRXNPFEDSA-N 1 3 368.485 1.443 50 0 FDAAHO O[C@@H]1CCC[N@@H+](CCCNc2nc(-c3cccnc3)nc3c2CCNC3)C1 ZINC000071730453 221356773 /nfs/dbraw/zinc/35/67/73/221356773.db2.gz UFUQFWRFTNEBLY-MRXNPFEDSA-N 1 3 368.485 1.443 50 0 FDAAHO Cc1cnc(CNC(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)cn1 ZINC000071746652 221358143 /nfs/dbraw/zinc/35/81/43/221358143.db2.gz ICRPUNQKMONVRJ-QGZVFWFLSA-N 1 3 359.518 1.986 50 0 FDAAHO [NH3+]Cc1cc(=O)[n-]c(-c2cccc(C[N@@H+]3CCC[C@@H]3Cn3ccnc3)c2)n1 ZINC000039489890 519636600 /nfs/dbraw/zinc/63/66/00/519636600.db2.gz VUVRVQWYUVGGKI-GOSISDBHSA-N 1 3 364.453 1.757 50 0 FDAAHO [NH3+]Cc1cc(=O)[n-]c(-c2cccc(C[N@H+]3CCC[C@@H]3Cn3ccnc3)c2)n1 ZINC000039489890 519636603 /nfs/dbraw/zinc/63/66/03/519636603.db2.gz VUVRVQWYUVGGKI-GOSISDBHSA-N 1 3 364.453 1.757 50 0 FDAAHO CN(C)CCOc1ccccc1C[N@@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072129701 522160276 /nfs/dbraw/zinc/16/02/76/522160276.db2.gz KNKMJTASQNJAAD-KRWDZBQOSA-N 1 3 361.486 1.656 50 0 FDAAHO CN(C)CCOc1ccccc1C[N@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072129701 522160281 /nfs/dbraw/zinc/16/02/81/522160281.db2.gz KNKMJTASQNJAAD-KRWDZBQOSA-N 1 3 361.486 1.656 50 0 FDAAHO [NH3+]CCN1C(=O)CC[C@H]2CN(Cc3cnn(-c4ccccc4)c3)CC[C@H]21 ZINC000072438867 522277977 /nfs/dbraw/zinc/27/79/77/522277977.db2.gz VLCSFXYVVPODEJ-PKOBYXMFSA-N 1 3 353.470 1.644 50 0 FDAAHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238007137 527529335 /nfs/dbraw/zinc/52/93/35/527529335.db2.gz ADWNSGRSIHEAKS-NVXWUHKLSA-N 1 3 367.877 1.022 50 0 FDAAHO OC[C@@H]1CN(Cc2c[nH]cn2)CCC12CC[NH+](Cc1ccncc1)CC2 ZINC000215948513 537443497 /nfs/dbraw/zinc/44/34/97/537443497.db2.gz COUPSBCYYQRGRE-SFHVURJKSA-N 1 3 355.486 1.901 50 0 FDAAHO CCN1CCN(CCCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000216261783 537448577 /nfs/dbraw/zinc/44/85/77/537448577.db2.gz WLKYZMQPKJZLIE-FQEVSTJZSA-N 1 3 358.530 1.911 50 0 FDAAHO Cn1ncc2c1CCC[C@@H]2NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038553 1006597643 /nfs/dbraw/zinc/59/76/43/1006597643.db2.gz GVUMPPZSIDMAOK-SFHVURJKSA-N 1 3 355.486 1.879 50 0 FDAAHO O=C(NCCO)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(CCc2ccccc2)C1 ZINC000014540198 220125562 /nfs/dbraw/zinc/12/55/62/220125562.db2.gz SQMHSEOYSYNYTE-WOJBJXKFSA-N 1 3 359.514 1.372 50 0 FDAAHO CCC(CC)C[NH+]1CCC(n2cc(C(=O)NCCN(C)C)nn2)CC1 ZINC000015067813 220144424 /nfs/dbraw/zinc/14/44/24/220144424.db2.gz XDENHZAIZIHPED-UHFFFAOYSA-N 1 3 350.511 1.643 50 0 FDAAHO Cc1cc(-n2cccn2)ccc1[C@H]1N[C@](CO)(CCO)[C@H]2C[N@H+](C)C[C@H]21 ZINC000065395897 221210535 /nfs/dbraw/zinc/21/05/35/221210535.db2.gz CRIJJIJXPQUEIR-WCIQWLHISA-N 1 3 356.470 1.116 50 0 FDAAHO Cc1cc(-n2cccn2)ccc1[C@H]1N[C@](CO)(CCO)[C@H]2C[N@@H+](C)C[C@H]21 ZINC000065395897 221210538 /nfs/dbraw/zinc/21/05/38/221210538.db2.gz CRIJJIJXPQUEIR-WCIQWLHISA-N 1 3 356.470 1.116 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cnn2c1 ZINC000067856585 221296217 /nfs/dbraw/zinc/29/62/17/221296217.db2.gz DADHSCBBYYUNDD-KRWDZBQOSA-N 1 3 370.501 1.881 50 0 FDAAHO CCN(CC)Cc1cnc2c(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)cnn2c1 ZINC000067856585 221296220 /nfs/dbraw/zinc/29/62/20/221296220.db2.gz DADHSCBBYYUNDD-KRWDZBQOSA-N 1 3 370.501 1.881 50 0 FDAAHO Cc1nc2c(c(NCC3CC[NH+](C4CCN(C)CC4)CC3)n1)CCNC2 ZINC000067947452 221308477 /nfs/dbraw/zinc/30/84/77/221308477.db2.gz LUJFVVDUBVOHHK-UHFFFAOYSA-N 1 3 358.534 1.649 50 0 FDAAHO COc1ccc(CN2CCC(C(N)=O)CC2)cc1OC[C@@H]1CCC[NH2+]C1 ZINC000299797053 533553887 /nfs/dbraw/zinc/55/38/87/533553887.db2.gz LZZJZQYGLJLBNT-MRXNPFEDSA-N 1 3 361.486 1.771 50 0 FDAAHO Nc1ncccc1CN1CCC2(CC[NH+](C3CCOCC3)CC2)[C@@H](CO)C1 ZINC000097785476 222212841 /nfs/dbraw/zinc/21/28/41/222212841.db2.gz XUHANALCQRWPEA-GOSISDBHSA-N 1 3 374.529 1.739 50 0 FDAAHO COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000102775294 222307771 /nfs/dbraw/zinc/30/77/71/222307771.db2.gz QQOLARMXTPHNAU-KRFUXDQASA-N 1 3 355.482 1.583 50 0 FDAAHO [NH3+][C@@H]1c2ccccc2C2(CCN(Cc3ccccc3OCCO)CC2)[C@H]1O ZINC000072151501 522178732 /nfs/dbraw/zinc/17/87/32/522178732.db2.gz ZJNVOSRHOOYHNG-RTWAWAEBSA-N 1 3 368.477 1.966 50 0 FDAAHO CN(C)CC(C)(C)CNc1ncc(S(C)(=O)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000072473089 522293833 /nfs/dbraw/zinc/29/38/33/522293833.db2.gz HACYWAFXNOVIKI-ZDUSSCGKSA-N 1 3 369.535 1.347 50 0 FDAAHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077489972 523361692 /nfs/dbraw/zinc/36/16/92/523361692.db2.gz CNCXVDJEDKMIEU-IBGZPJMESA-N 1 3 355.486 1.447 50 0 FDAAHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077489972 523361704 /nfs/dbraw/zinc/36/17/04/523361704.db2.gz CNCXVDJEDKMIEU-IBGZPJMESA-N 1 3 355.486 1.447 50 0 FDAAHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238096312 527529211 /nfs/dbraw/zinc/52/92/11/527529211.db2.gz ADWNSGRSIHEAKS-DOTOQJQBSA-N 1 3 367.877 1.022 50 0 FDAAHO OCCN1CCc2nnc([C@@H]3CC[N@H+](CCc4ccccc4)C3)n2CC1 ZINC000257195209 794048893 /nfs/dbraw/zinc/04/88/93/794048893.db2.gz VPTVTAXLIVDCPC-GOSISDBHSA-N 1 3 355.486 1.161 50 0 FDAAHO OCCN1CCc2nnc([C@@H]3CC[N@@H+](CCc4ccccc4)C3)n2CC1 ZINC000257195209 794048902 /nfs/dbraw/zinc/04/89/02/794048902.db2.gz VPTVTAXLIVDCPC-GOSISDBHSA-N 1 3 355.486 1.161 50 0 FDAAHO Cc1nn(C)c(C)c1CN1CCC2(C[C@H](C(=O)N3CCCC3)[N@H+](C)C2)CC1 ZINC000675011164 795204703 /nfs/dbraw/zinc/20/47/03/795204703.db2.gz PYBFEJMXPPOOIH-LJQANCHMSA-N 1 3 373.545 1.946 50 0 FDAAHO Cc1nn(C)c(C)c1CN1CCC2(C[C@H](C(=O)N3CCCC3)[N@@H+](C)C2)CC1 ZINC000675011164 795204706 /nfs/dbraw/zinc/20/47/06/795204706.db2.gz PYBFEJMXPPOOIH-LJQANCHMSA-N 1 3 373.545 1.946 50 0 FDAAHO Cc1c(C[NH+]2CCC3(CC2)CN([C@H]2CCSC2)CCO3)cnn1C ZINC000825656345 923779675 /nfs/dbraw/zinc/77/96/75/923779675.db2.gz YKEMFMRAHNWQKR-KRWDZBQOSA-N 1 3 350.532 1.901 50 0 FDAAHO COCCC[N@H+](C[C@]1(O)CCCN2CCCC[C@@H]21)C1CCN(C)CC1 ZINC000063871143 221144823 /nfs/dbraw/zinc/14/48/23/221144823.db2.gz HIPUKXJINWZYSC-WOJBJXKFSA-N 1 3 353.551 1.799 50 0 FDAAHO COCCC[N@@H+](C[C@]1(O)CCCN2CCCC[C@@H]21)C1CCN(C)CC1 ZINC000063871143 221144826 /nfs/dbraw/zinc/14/48/26/221144826.db2.gz HIPUKXJINWZYSC-WOJBJXKFSA-N 1 3 353.551 1.799 50 0 FDAAHO Cc1ncccc1OC1(C(=O)N2CCN3CCC[C@@H]3[C@@H]2C)CC[NH2+]CC1 ZINC000065461741 221222108 /nfs/dbraw/zinc/22/21/08/221222108.db2.gz DTUYAVIIZLGBCF-DLBZAZTESA-N 1 3 358.486 1.586 50 0 FDAAHO O[C@H]1CCC[N@H+](CCCNc2nc(-c3cccnc3)nc3c2CCNC3)C1 ZINC000071730452 221357235 /nfs/dbraw/zinc/35/72/35/221357235.db2.gz UFUQFWRFTNEBLY-INIZCTEOSA-N 1 3 368.485 1.443 50 0 FDAAHO O[C@H]1CCC[N@@H+](CCCNc2nc(-c3cccnc3)nc3c2CCNC3)C1 ZINC000071730452 221357238 /nfs/dbraw/zinc/35/72/38/221357238.db2.gz UFUQFWRFTNEBLY-INIZCTEOSA-N 1 3 368.485 1.443 50 0 FDAAHO Cn1cncc1CN1CCC2(CC[NH+](C3CCOCC3)CC2)[C@H](CO)C1 ZINC000097717215 222207656 /nfs/dbraw/zinc/20/76/56/222207656.db2.gz WIYUQMVJMPZANO-KRWDZBQOSA-N 1 3 362.518 1.496 50 0 FDAAHO c1ccc(-c2nc3c(c(N4CCC[N@@H+]5CCC[C@H]5C4)n2)CCNC3)nc1 ZINC000072147324 522173305 /nfs/dbraw/zinc/17/33/05/522173305.db2.gz KHUDEABWGJAACB-HNNXBMFYSA-N 1 3 350.470 1.859 50 0 FDAAHO c1ccc(-c2nc3c(c(N4CCC[N@H+]5CCC[C@H]5C4)n2)CCNC3)nc1 ZINC000072147324 522173315 /nfs/dbraw/zinc/17/33/15/522173315.db2.gz KHUDEABWGJAACB-HNNXBMFYSA-N 1 3 350.470 1.859 50 0 FDAAHO CCOCc1nc2c(c(N3CC(N4CCCC[C@@H]4C)C3)n1)CC[NH2+]CC2 ZINC000072447422 522280482 /nfs/dbraw/zinc/28/04/82/522280482.db2.gz QHERDSDZVQBHAJ-HNNXBMFYSA-N 1 3 359.518 1.764 50 0 FDAAHO Cc1cnc(CN2C[C@]3(CCC[N@@H+](C4CCNCC4)C3)CCC2=O)cn1 ZINC000077394429 523323578 /nfs/dbraw/zinc/32/35/78/523323578.db2.gz FDMWRWBYOHSWQY-HXUWFJFHSA-N 1 3 357.502 1.742 50 0 FDAAHO Cc1cnc(CN2C[C@]3(CCC[N@H+](C4CCNCC4)C3)CCC2=O)cn1 ZINC000077394429 523323586 /nfs/dbraw/zinc/32/35/86/523323586.db2.gz FDMWRWBYOHSWQY-HXUWFJFHSA-N 1 3 357.502 1.742 50 0 FDAAHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000269251215 524576835 /nfs/dbraw/zinc/57/68/35/524576835.db2.gz PAYILMHUISOEBA-QWFCFKBJSA-N 1 3 358.530 1.746 50 0 FDAAHO CC[NH+]1CCC(N2CCN(C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)CC1 ZINC000091807956 524788639 /nfs/dbraw/zinc/78/86/39/524788639.db2.gz KKKGDTRPKQLTQT-NRFANRHFSA-N 1 3 362.562 1.879 50 0 FDAAHO CN1CC[NH+](C[C@H]2CCCN(Cc3ccc(-n4ccnc4)nc3)C2)CC1 ZINC000095446741 525069145 /nfs/dbraw/zinc/06/91/45/525069145.db2.gz YERNEZMPAFWCEC-LJQANCHMSA-N 1 3 354.502 1.727 50 0 FDAAHO